# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-07T11:35:14+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 55 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
"1000053","4.217","0.001","4.217","0.001","4.217","0.001","90","","90","","90","","75","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Magnesium oxide","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Sasaki, Satoshi; Fujino, Kiyoshi; Takéuchi, Yoshio","X-Ray Determination of Electron-Density Distributions in Oxides, MgO, MnO, CoO, and NiO, and Atomic Scattering Factors of their Constituent Atoms","Proceedings of the Japan Academy, Series B: Physical and Biological Sciences","1979","55","2","43","48","10.2183/pjab.55.43","","","","","","0.0126","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1000219","7.3236","0.0003","17.4525","0.0007","5.4586","0.0002","90","","91.84","0.003","90","","697.3","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sodium barium iron(III) nonafluoride","","- Ba F9 Fe2 Na -","- Ba F9 Fe2 Na -","- Ba4 F36 Fe8 Na4 -","4","1","","De Kozak, A; Samouel, M; Leblanc, M; Ferey, G; Pannetier, J","Magnetic structure of the canted 1D-antiferromagnet Na Ba Fe~2~ F~9~","Solid State Communications","1985","55","","887","890","10.1016/0038-1098(85)90200-5","","","","","","0.093","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001672","3.811","0.004","3.811","0.004","12.78","0.002","90","","90","","90","","185.6","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Thallium strontium iron oxide (1/3/2/8)","","- Fe2 O8 Sr3 Tl0.95 -","- Fe2 O8 Sr3 Tl0.95 -","- Fe2 O8 Sr3 Tl0.95 -","1","0.0625","","Daniel, P; Barbey, L; Nguyen, N; Ducouret, A; Groult, D; Raveau, B","New mixed-valent iron oxides with the 1212-type structure: Tl1-x Pbx Sr3 Fe2 O8","Journal of Physics and Chemistry of Solids","1994","55","9","795","802","10.1016/0022-3697(94)90002-7","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001673","3.818","0.0004","3.818","0.0004","12.834","0.002","90","","90","","90","","187.1","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium lead strontium iron oxide (0.5/0.5/3/2/8)","","- Fe2 O8 Pb0.485 Sr3 Tl0.485 -","- Fe2 O8 Pb0.4852 Sr3 Tl0.4852 -","- Fe2 O8 Pb0.4852 Sr3 Tl0.4852 -","1","0.0625","","Daniel, P; Barbey, L; Nguyen, N; Ducouret, A; Groult, D; Raveau, B","New mixed-valent iron oxides with the 1212-type structure: Tl1-x Pbx Sr3 Fe2 O8","Journal of Physics and Chemistry of Solids","1994","55","9","795","802","10.1016/0022-3697(94)90002-7","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008276","4.25","0.001","13.99","0.003","16.38","0.003","90","","90","","90","","973.9","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Ditin antimony disulfide triiodide","","- I3 S2 Sb Sn2 -","- I3 S2 Sb Sn2 -","- I12 S8 Sb4 Sn8 -","4","0.25","","Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E","Mise en evidence d'un desordre statistique dans les structures chalcogenoiodures d'etain et d'antimoine.","Journal of Solid State Chemistry","1984","55","","833","913","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008277","4.275","0.001","14.059","0.003","16.465","0.003","90","","90","","90","","989.6","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Ditin antimony disulfide triiodide","","- I3 S2 Sb Sn2 -","- I3 S2 Sb Sn2 -","- I12 S8 Sb4 Sn8 -","4","0.25","","Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E","Mise en evidence d'un desordre statistique dans les structures chalcogenoiodures d'etain et d'antimoine.","Journal of Solid State Chemistry","1984","55","","83","91","10.1016/0022-4596(84)90250-0","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008278","4.298","0.003","14.085","0.005","17.222","0.008","90","","90","","90","","1042.6","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Ditin antimony diselenide triiodide","","- I3 Sb Se2 Sn2 -","- I3 Sb Se2 Sn2 -","- I12 Sb4 Se8 Sn8 -","4","0.25","","Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E","Mise en evidence d'un desordre statistique dans les structures chalcogenoiodures d'etain et d'antimoine.","Journal of Solid State Chemistry","1984","55","","83","91","10.1016/0022-4596(84)90250-0","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008279","14.166","0.004","4.342","0.001","12.149","0.003","90","","96.03","0.03","90","","743.1","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Tritin antimony diselenide pentaiodide","","- I5 Sb Se2 Sn3 -","- I5 Sb Se2 Sn3 -","- I10 Sb2 Se4 Sn6 -","2","0.25","","Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E","Mise en evidence d'un desordre statistique dans les structures chalcogenoiodures d'etain et d'antimoine.","Journal of Solid State Chemistry","1984","55","","83","91","10.1016/0022-4596(84)90250-0","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008320","7.098","0.001","7.098","0.001","58.69","","90","","90","","90","","2956.9","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","Samarium iron boride (17/60/60)","","- B60 Fe60 Sm17 -","- B60 Fe60 Sm17 -","- B120 Fe120 Sm34 -","2","0.25","","Bezinge, A; Braun, H F; Muller, J; Yvon, K","Tetragonal rare earth (R) iron borides, R(~1+x~) Fe~4~ B~4~ (x=0.1), with incommensurate rare earth and iron substructures","Solid State Communications","1985","55","","131","135","10.1016/0038-1098(85)90264-9","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1009025","3.999","0.001","3.999","0.001","4.12","0.001","90","","90","","90","","65.9","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","","Lead hafnium titanium oxide (1/0.4/0.6/3)","","- Hf0.4 O3 Pb Ti0.6 -","- Hf0.42 O3 Pb Ti0.58 -","- Hf0.42 O3 Pb Ti0.58 -","1","0.125","","Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M","Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3","Acta Crystallographica B (39,1983-)","1999","55","","8","16","","","","","","","0.087","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009026","4.012","0.001","4.012","0.001","4.1","0.001","90","","90","","90","","66","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","","Lead hafnium titanium oxide (1/0.4/0.6/3)","","- Hf0.4 O3 Pb Ti0.6 -","- Hf0.42 O3 Pb Ti0.58 -","- Hf0.42 O3 Pb Ti0.58 -","1","0.125","","Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M","Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3","Acta Crystallographica B (39,1983-)","1999","55","","8","16","","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009027","4.046","0.001","4.046","0.001","4.046","0.001","90","","90","","90","","66.2","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Lead hafnium titanium oxide (1/0.4/0.6/3)","","- Hf0.4 O3 Pb Ti0.6 -","- Hf0.42 O3 Pb Ti0.582 -","- Hf0.42 O3 Pb Ti0.582 -","1","0.0208333","","Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M","Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3","Acta Crystallographica B (39,1983-)","1999","55","","8","16","","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010093","4.1684","0.001","4.1684","0.001","4.1684","0.001","90","","90","","90","","72.4","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Nickel oxide","","- Ni O -","- Ni O -","- Ni4 O4 -","4","0.0208333","","Cairns, R W; Ott, E","X-Ray Studies of the System Nickel-Oxygen-Water. I. Nickelous Oxide and Hydroxide","Journal of the American Chemical Society","1933","55","","527","533","10.1021/ja01329a013","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011134","3.114","0.005","3.114","0.005","4.617","0.005","90","","90","","120","","38.8","","","","","","","","","","","","synthetic","3","P -3 m 1","-P 3 2""","164","","Nickel hydroxide","Theophrastite","- H2 Ni O2 -","- H3 Ni O2 -","- H3 Ni O2 -","1","0.0833333","","Cairns, R W; Ott, E","X-ray studies of the system nickel-oxygen-water. I. Nickelous oxide and hydroxide","Journal of the American Chemical Society","1933","55","","527","533","10.1021/ja01329a013","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100516","6.376","0.001","18.155","0.002","19.422","0.001","90","","90","","90","","2248.22","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 N2 O2 -","- C25 H32 N2 O2 -","- C100 H128 N8 O8 -","4","1","","Aurich, Hans Günter; Soeberdt, Michael; Harms, Klaus","Formation of enantiopure β-amino alcohols with a 3-oxa-2,7-diazabicyclo[3.3.0]octane framework","Tetrahedron","1999","55","5","1249","1270","10.1016/s0040-4020(98)01117-x","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100517","7.515","0.001","13.748","0.001","18.678","0.001","90","","90","","90","","1929.74","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","","Aurich, Hans Günter; Soeberdt, Michael; Harms, Klaus","Formation of enantiopure β-amino alcohols with a 3-oxa-2,7-diazabicyclo[3.3.0]octane framework","Tetrahedron","1999","55","5","1249","1270","10.1016/s0040-4020(98)01117-x","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100518","19.522","0.002","5.321","0.001","21.728","0.001","90","","102.53","0.01","90","","2203.27","","","","","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C26 H28 N2 O2 -","- C26 H28 N2 O2 -","- C104 H112 N8 O8 -","4","1","","Aurich, Hans Günter; Soeberdt, Michael; Harms, Klaus","Formation of enantiopure β-amino alcohols with a 3-oxa-2,7-diazabicyclo[3.3.0]octane framework","Tetrahedron","1999","55","5","1249","1270","10.1016/s0040-4020(98)01117-x","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1101087","54.836","0.008","15.923","0.001","12.299","0.001","90","","94.382","0.009","90","","10707.5","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Cu F12 N6 P2 -","- C36 H24 Cu F12 N6 P2 -","- C432 H288 Cu12 F144 N72 P24 -","12","1.5","","José M. Seco; María J. González Garmendia; Miguel Quirós","","Journal of Coordination Chemistry","2002","55","","345","351","10.1080/00958970211891","","","","","","","0.0883","","","0.2557","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502652","10.3425","0.0013","10.3727","0.0013","11.9922","0.0015","110.546","0.002","104.412","0.002","97.464","0.002","1132.8","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H36 Cd N42 O18 -","- C18 H36 Cd N42 O18 -","- C18 H36 Cd N42 O18 -","1","0.5","","Li, Zhi-Min; Zhang, Jian-Guo; Cui, Yan; Zhang, Tong-Lai; Shu, Yuan-Jie; Sinditskii, Valery P.; Serushkin, Valery V.; Egorshin, Vyacheslav Yu.","A Novel Nitrogen-Rich Cadmium Coordination Compound Based on 1,5-Diaminotetrazole: Synthesis, Structure Investigation, and Thermal Properties","Journal of Chemical & Engineering Data","2010","55","9","3109","","10.1021/je100001b","","","0.71073","MoKα","","0.0285","0.0268","","","0.0683","0.0696","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503454","6.2608","0.0002","27.9762","0.002","11.5615","0.0004","89.99","0.006","90.002","0.006","89.995","0.006","2025.04","0.17","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 O4 -","- C25 H22 N2 O4 -","- C100 H88 N8 O16 -","4","2","","Zhang, Hankun; Tückmantel, Werner; Eaton, J. Brek; Yuen, Po-Wai; Yu, Li-Fang; Bajjuri, Krishna Mohan; Fedolak, Allison; Wang, Daguang; Ghavami, Afshin; Caldarone, Barbara; Paterson, Neil E.; Lowe, David A.; Brunner, Daniela; Lukas, Ronald J.; Kozikowski, Alan P.","Chemistry and Behavioral Studies Identify Chiral Cyclopropanes as Selective α4β2-Nicotinic Acetylcholine Receptor Partial Agonists Exhibiting an Antidepressant Profile.","Journal of medicinal chemistry","2012","55","2","717","724","10.1021/jm201157c","","","1.54187","CuKα","","","0.0584","","","","0.1598","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503455","10.18411","0.00014","14.96067","0.00018","9.13052","0.00013","90","","99.2862","0.0014","90","","1372.9","0.03","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Br N3 O2 S -","- C12 H16 Br N3 O2 S -","- C48 H64 Br4 N12 O8 S4 -","4","1","","Baud, Matthias G. J.; Leiser, Thomas; Haus, Patricia; Samlal, Sharon; Wong, Ai Ching; Wood, Robert J.; Petrucci, Vanessa; Gunaratnam, Mekala; Hughes, Siobhan M.; Buluwela, Lakjaya; Turlais, Fabrice; Neidle, Stephen; Meyer-Almes, Franz-Josef; White, Andrew J. P.; Fuchter, Matthew J.","Defining the Mechanism of Action and Enzymatic Selectivity of Psammaplin A against Its Epigenetic Targets.","Journal of medicinal chemistry","2012","55","4","1731","1750","10.1021/jm2016182","","","0.71073","MoKα","","0.0401","0.024","","","0.0518","0.0532","","","","","","0.927","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1507655","17.983","0.0019","7.4102","0.0008","19.235","0.002","90","","93.649","0.002","90","","2558","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 Fe N O Se -","- C13 H15 Fe N O Se -","- C104 H120 Fe8 N8 O8 Se8 -","8","1","","Gutiérrez-Hernández, Alejandro I; López-Cortés, José G; Ortega-Alfaro, M Carmen; Ramírez-Apan, M Teresa; Cázares-Marinero, José de Jesús; Toscano, Rubén A","Ferrocenylselenoamides: synthesis, characterization and cytotoxic properties.","Journal of medicinal chemistry","2012","55","10","4652","4663","10.1021/jm300150t","","","0.71073","MoKα","","0.0315","0.0254","","","0.0603","0.0629","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507656","9.598","0.003","8.166","0.002","12.75","0.004","90","","103.19","0.004","90","","972.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 N O Se -","- C9 H11 N O Se -","- C36 H44 N4 O4 Se4 -","4","1","","Gutiérrez-Hernández, Alejandro I; López-Cortés, José G; Ortega-Alfaro, M Carmen; Ramírez-Apan, M Teresa; Cázares-Marinero, José de Jesús; Toscano, Rubén A","Ferrocenylselenoamides: synthesis, characterization and cytotoxic properties.","Journal of medicinal chemistry","2012","55","10","4652","4663","10.1021/jm300150t","","","0.71073","MoKα","","0.0367","0.0283","","","0.0696","0.0736","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507788","9.4898","0.0012","15.218","0.002","8.9436","0.0012","90","","90","","90","","1291.6","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Compound 3","","","- C10 H15 N3 O5 Pt -","- C10 H15 N3 O5 Pt -","- C40 H60 N12 O20 Pt4 -","4","1","","Wilson, Justin J.; Lippard, Stephen J.","In Vitro Anticancer Activity of cis-Diammineplatinum(II) Complexes with β-Diketonate Leaving Group Ligands.","Journal of medicinal chemistry","2012","55","11","5326","5336","10.1021/jm3002857","","","0.71073","MoKα","","0.0144","0.0131","","","0.0285","0.0289","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507789","18.336","0.002","7.1871","0.0009","10.8106","0.0013","90","","100.556","0.002","90","","1400.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound 4","","","- C10 H12 F3 N3 O5 Pt -","- C10 H12 F3 N3 O5 Pt -","- C40 H48 F12 N12 O20 Pt4 -","4","1","","Wilson, Justin J.; Lippard, Stephen J.","In Vitro Anticancer Activity of cis-Diammineplatinum(II) Complexes with β-Diketonate Leaving Group Ligands.","Journal of medicinal chemistry","2012","55","11","5326","5336","10.1021/jm3002857","","","0.71073","MoKα","","0.0278","0.0194","","","0.0367","0.0391","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508253","13.6384","0.0005","7.1514","0.0003","19.5985","0.0008","90","","101.048","0.001","90","","1876.09","0.13","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H27 F2 N O5 -","- C18 H27 F2 N O5 -","- C72 H108 F8 N4 O20 -","4","1","","Yu, Wenquan; Gill, Tina; Wang, Lijuan; Du, Yanming; Ye, Hong; Qu, Xiaowang; Guo, Ju-Tao; Cuconati, Andrea; Zhao, Kang; Block, Timothy M.; Xu, Xiaodong; Chang, Jinhong","Design, Synthesis, and Biological Evaluation of N-Alkylated Deoxynojirimycin (DNJ) Derivatives for the Treatment of Dengue Virus Infection.","Journal of medicinal chemistry","2012","55","13","6061","6075","10.1021/jm300171v","","","0.71073","MoKα","","0.0276","0.0263","","","0.0719","0.0729","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508515","13.66","0.003","9.867","0.002","23.937","0.006","90","","98.52","0.005","90","","3190.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10.5 H17 Cl2 N2 O4.5 Pt -","- C10.5 H17 Cl2 N2 O4.5 Pt -","- C84 H136 Cl16 N16 O36 Pt8 -","8","2","","Chin, Chee Fei; Tian, Quan; Setyawati, Magdiel Inggrid; Fang, Wanru; Tan, Emelyn Sue Qing; Leong, David Tai; Ang, Wee Han","Tuning the activity of platinum(IV) anticancer complexes through asymmetric acylation.","Journal of medicinal chemistry","2012","55","17","7571","7582","10.1021/jm300580y","","","0.71073","MoKα","","0.0514","0.0427","","","0.0953","0.0988","","","","","","1.1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508516","9.242","0.003","10.288","0.003","14.494","0.004","77.219","0.005","84.291","0.004","80.289","0.005","1321.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cu N2 O2 -","- C22 H20 Cu N2 O2 -","- C66 H60 Cu3 N6 O6 -","3","1.5","","Tardito, Saverio; Barilli, Amelia; Bassanetti, Irene; Tegoni, Matteo; Bussolati, Ovidio; Franchi-Gazzola, Renata; Mucchino, Claudio; Marchi uciano","Copper-dependent cytotoxicity of 8-hydroxyquinoline derivatives correlates with their hydrophobicity and does not require caspase activation.","Journal of medicinal chemistry","2012","55","23","10448","10459","10.1021/jm301053a","","","0.71073","MoKα","","0.095","0.0546","","","0.1273","0.1496","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508517","22.584","0.0005","7.59176","0.00018","10.5047","0.0003","90","","92.039","0.002","90","","1799.91","0.08","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Fe N2 O2 -","- C23 H22 Fe N2 O2 -","- C92 H88 Fe4 N8 O8 -","4","1","","Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles","Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation.","Journal of medicinal chemistry","2012","55","20","8790","8798","10.1021/jm301077m","","","0.7107","MoKα","","0.0665","0.0516","","","0.1106","0.1172","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508518","7.455","0.0002","10.3389","0.0002","13.2992","0.0003","72.296","0.002","81.3454","0.0019","78.354","0.002","952.04","0.04","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 Fe N2 O -","- C23 H24 Fe N2 O -","- C46 H48 Fe2 N4 O2 -","2","1","","Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles","Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation.","Journal of medicinal chemistry","2012","55","20","8790","8798","10.1021/jm301077m","","","0.7107","MoKα","","0.0346","0.0305","","","0.0789","0.0813","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508519","19.7267","0.0007","5.7377","0.0002","36.268","0.0011","90","","90","","90","","4105","0.2","183","2","183","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H26 Fe N2 O2 -","- C25 H26 Fe N2 O2 -","- C200 H208 Fe8 N16 O16 -","8","2","","Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles","Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation.","Journal of medicinal chemistry","2012","55","20","8790","8798","10.1021/jm301077m","","","0.7107","MoKα","","0.0806","0.0706","","","0.1638","0.1708","","","","","","1.108","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508520","6.1836","0.0002","8.0658","0.0003","15.5374","0.0007","102.217","0.003","92.75","0.003","108.655","0.002","711.98","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(OC-6-54)-Dichlorido(N,N-dimethyl-ethane-1,2-diamine)aquamethoxidoplatinum(IV) trifluoroacetate","","- C7 H17 Cl2 F3 N2 O4 Pt -","- C7 H17 Cl2 F3 N2 O4 Pt -","- C14 H34 Cl4 F6 N4 O8 Pt2 -","2","1","","Pichler, Verena; Heffeter, Petra; Valiahdi, Seied M.; Kowol, Christian R.; Egger, Alexander; Berger, Walter; Jakupec, Michael A.; Galanski, Markus; Keppler, Bernhard K.","Unsymmetric Mono- and Dinuclear Platinum(IV) Complexes Featuring an Ethylene Glycol Moiety: Synthesis, Characterization, and Biological Activity.","Journal of medicinal chemistry","2012","55","24","11052","11061","10.1021/jm301645g","","","0.71073","MoKα","","0.0253","0.0228","","","0.0539","0.0548","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509392","10.258","","4.886","","20.063","","90","","90","","90","","1005.57","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb2 Ag I3","","- Ag I3 Rb2 -","- Ag I3 Rb2 -","- Ag4 I12 Rb8 -","4","0.5","","Brown, I.D.; Howard-Lock, H.E.; Natarajan-Iyer, M.","The crystal structure and polarised Raman spectrum of Rb2 Ag I3","Canadian Journal of Chemistry","1977","55","","1511","1514","10.1139/v77-210","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510073","8.1047","","8.1047","","5.7974","","90","","90","","120","","329.79","","","","","","","","","","","","","2","P 3 1 m","P 3 -2","157","","","","- Au Cd -","- Au Cd -","- Au9 Cd9 -","9","1.5","","Schubert, K.; Alasafi, K.M.","Kristallstruktur von Au Cd.r","Journal of the Less-Common Metals","1977","55","","1","8","10.1016/0022-5088(77)90255-7","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510077","3.28","","3.28","","3.28","","90","","90","","90","","35.288","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Au0.25 Hg0.75) Mn","","- Au0.25 Hg0.75 Mn -","- Au0.25 Hg0.75 Mn -","- Au0.25 Hg0.75 Mn -","1","0.0208333","","Nakagawa, Y.; Hori, T.","Cubic to orthorhombic transition and magnetic property of Mn Hg1-x Aux, (X=.05-.25)","Journal of the Physical Society of Japan","1986","55","","4025","4029","10.1143/JPSJ.55.4025","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510087","4.71","","3.08","","4.81","","90","","90","","90","","69.778","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","(Au0.25 Hg0.75) Mn","","- Au0.25 Hg0.75 Mn -","- Au0.25 Hg0.75 Mn -","- Au0.5 Hg1.5 Mn2 -","2","0.25","","Nakagawa, Y.; Hori, T.","Cubic to orthorhombic transition and magnetic property of Mn Hg1-x Aux, (X=.05-.25)","Journal of the Physical Society of Japan","1986","55","","4025","4029","10.1143/JPSJ.55.4025","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511218","3.773","","3.773","","3.773","","90","","90","","90","","53.711","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(In2 Ni7 B).5","","- B0.5 In Ni3.5 -","- B0.5 In Ni3.5 -","- B0.5 In Ni3.5 -","1","0.0208333","","Stadelmaier, H.H.; Schoebel, J.D.","Zwei Boride mit Chromkarbid - (Cr23 C6) - und Perowskitstruktur im Dreistoffsystem Nickel-Indium-Bor","Zeitschrift fuer Metallkunde","1964","55","","378","382","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511514","8.4859","","3.0001","","9.9833","","90","","90.01","","90","","254.16","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","Ru5 Sc2 B4","","- B4 Ru5 Sc2 -","- B4 Ru4.95 Sc2 -","- B8 Ru9.9 Sc4 -","2","0.5","","Rogl, P.","The crystal structure of Sc2 Ru5 B4","Journal of Solid State Chemistry","1984","55","","262","269","10.1016/0022-4596(84)90276-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514099","4.446","0.001","4.446","0.001","4.446","0.001","90","","90","","90","","87.88","0.03","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Manganese Oxide","Manganosite","- Mn O -","- Mn O -","- Mn4 O4 -","4","0.0208333","","Sasaki, Satoshi; Fujino, Kiyoshi; Takéuchi, Yoshio","X-Ray Determination of Electron-Density Distributions in Oxides, MgO, MnO, CoO, and NiO, and Atomic Scattering Factors of their Constituent Atoms","Proceedings of the Japan Academy, Series B: Physical and Biological Sciences","1979","55","2","43","48","10.2183/pjab.55.43","","","","","","0.0102","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1517787","9.2797","0.0008","7.6305","0.0005","12.3433","0.0009","90","","96.185","0.006","90","","868.93","0.11","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C42 H42 N2 O4 -","2","1","","Islam, Kobirul; Das, Deb K.; Khan, Abu T.","Hydrated ferric sulfate catalyzed synthesis of 5,6-unsubstituted 1,4-dihydropyridines using three-component reaction","Tetrahedron Letters","2014","55","41","5613","5617","10.1016/j.tetlet.2014.08.067","","","0.71073","MoKα","","0.1072","0.0903","","","0.2634","0.2762","","","","","","1.147","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517791","5.4515","0.0004","29.25","0.002","14.0037","0.0009","90","","99.689","0.005","90","","2201.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N3 O7 -","- C23 H27 N3 O7 -","- C92 H108 N12 O28 -","4","1","","Terzidis, Michael A.; Tsiaras, Vassilios G.; Drosos, Nicolaos M.; Kasapidou, Paraskevi M.; Stephanidou-Stephanatou, Julia; Tsoleridis, Constantinos A.; Buth, Gernot; Kostakis, George E.","Chromeno[2,3-c]pyrroles by one-pot multicomponent domino addition–amination reaction","Tetrahedron Letters","2014","55","41","5601","5604","10.1016/j.tetlet.2014.08.048","","","0.8","","","0.1368","0.1283","","","0.352","0.3598","","","","","","1.497","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1522089","7.2","","7.2","","7.2","","90","","90","","90","","373.248","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Fe2 (Y0.5 Zr0.5)","","- Fe2 Y0.5 Zr0.5 -","- Fe2 Y0.5 Zr0.5 -","- Fe16 Y4 Zr4 -","8","0.0416667","","Kobayashi, K.I.; Kanematsu, K.","Magnetic properties and crystal structure of Laves phase (Yx Zr1-x) Fe2 and their hydrides","Journal of the Physical Society of Japan","1986","55","","1336","1340","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1522416","3.87","","3.87","","7.96","","90","","90","","90","","119.216","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Nb Pd3 -","- Nb Pd3 -","- Nb2 Pd6 -","2","0.0625","","Maldonado, A.; Schubert, K.","Strukturuntersuchungen in einigen zu T(5)-T(10) homologen und quasihomologen Legierungssystemen","Zeitschrift fuer Metallkunde","1964","55","","619","626","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522417","3.87","","3.87","","3.87","","90","","90","","90","","57.961","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pt3 V -","- Pt3 V -","- Pt3 V -","1","0.0208333","","Maldonado, A.; Schubert, K.","Strukturuntersuchungen in einigen zu T(5)-T(10) homologen und quasihomologen Legierungssystemen","Zeitschrift fuer Metallkunde","1964","55","","619","626","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522418","3.85","","3.85","","3.85","","90","","90","","90","","57.067","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pt0.75 V0.25)","","- Pt0.75 V0.25 -","- Pt0.75 V0.25 -","- Pt3 V -","4","0.0208333","","Maldonado, A.; Schubert, K.","Strukturuntersuchungen in einigen zu T(5)-T(10) homologen und quasihomologen Legierungssystemen","Zeitschrift fuer Metallkunde","1964","55","","619","626","","","","","","","","","","","","","","","","","","","","","","has coordinates","142643","2020-10-21","18:00:00",""
"1522436","3.127","","3.127","","3.127","","90","","90","","90","","30.576","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Hf0.5 In0.5) Ni","","- Hf0.5 In0.5 Ni -","- Hf0.5 In0.5 Ni -","- Hf0.5 In0.5 Ni -","1","0.0208333","","Marazza, R.; Rambaldi, G.; Ferro, R.","Fasi intermetalliche ternarie, a rapporto stechiometrico 1:1:2, di struttura tipo Cs Cl o tipo Al Cu2 Mn","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 8 (1, 1946-)","1973","55","","518","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522437","3.266","","3.266","","3.266","","90","","90","","90","","34.838","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Hf0.5 In0.5) Pd","","- Hf0.5 In0.5 Pd -","- Hf0.5 In0.5 Pd -","- Hf0.5 In0.5 Pd -","1","0.0208333","","Marazza, R.; Rambaldi, G.; Ferro, R.","Fasi intermetalliche ternarie, a rapporto stechiometrico 1:1:2, di struttura tipo Cs Cl o tipo Al Cu2 Mn","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 8 (1, 1946-)","1973","55","","518","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522739","3.23","","3.23","","3.23","","90","","90","","90","","33.698","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Nb0.67 Pd0.33)","","- Nb0.67 Pd0.33 -","- Nb0.67 Pd0.33 -","- Nb1.34 Pd0.66 -","2","0.0208333","","Raman, A.; Schubert, K.","Ueber die Verbreitung des Zr2 Cu-Typs und Cr2 Al-Typs","Zeitschrift fuer Metallkunde","1964","55","","798","804","","","","","","","","","","","","","","","","","","","","","","has coordinates","143016","2020-10-21","18:00:00",""
"1522740","3.926","","3.926","","3.926","","90","","90","","90","","60.513","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Hf Ir3 -","- Hf Ir3 -","- Hf Ir3 -","1","0.0208333","","Raman, A.; Schubert, K.","Strukturuntersuchungen in einigen zu T(4)-T(9) homologen und quasihomologen Legierungssystemen","Zeitschrift fuer Metallkunde","1964","55","","704","710","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522741","3.23","","3.23","","3.23","","90","","90","","90","","33.698","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Hf Pt -","- Hf Pt -","- Hf Pt -","1","0.0208333","","Raman, A.; Schubert, K.","Strukturuntersuchungen in einigen zu T(4)-T(9) homologen und quasihomologen Legierungssystemen","Zeitschrift fuer Metallkunde","1964","55","","704","710","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522742","3.227","","3.227","","3.227","","90","","90","","90","","33.604","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Hf Rh -","- Hf Rh -","- Hf Rh -","1","0.0208333","","Raman, A.; Schubert, K.","Strukturuntersuchungen in einigen zu T(4)-T(9) homologen und quasihomologen Legierungssystemen","Zeitschrift fuer Metallkunde","1964","55","","704","710","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522855","4.072","","4.072","","23.304","","90","","90","","90","","386.408","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Pb Pd9 Tl2 -","- Pb0.999 Pd9 Tl2.001 -","- Pb1.998 Pd18 Tl4.002 -","2","0.0625","","Schubert, K.; Biswas, T.K.; Bhan, S.; Panday, P.K.; Frank, K.","Einige Strukturdaten metallischer Phasen. 13. Mitteilung","Naturwissenschaften","1968","55","","542","543","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522856","4.146","","4.146","","7.497","","90","","90","","90","","128.868","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Pd3 Tl -","- Pd3 Tl -","- Pd6 Tl2 -","2","0.0625","","Schubert, K.; Bhan, S.; Biswas, T.K.; Frank, K.; Panday, P.K.","Einige Strukturdaten metallischer Phasen, 13. Mitteilung","Naturwissenschaften","1968","55","","542","543","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522857","8.958","","8.958","","5.623","","90","","90","","120","","390.77","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pd13 Tl9 -","- Pd13 Tl9 -","- Pd13 Tl9 -","1","0.0833333","","Schubert, K.; Panday, P.K.; Biswas, T.K.; Bhan, S.; Frank, K.","Einige Strukturdaten metallischer Phasen, 13. Mitteilung","Naturwissenschaften","1968","55","","542","543","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522858","3.99","","3.99","","3.99","","90","","90","","90","","63.521","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pt3 Zr -","- Pt3 Zr -","- Pt3 Zr -","1","0.0208333","","Schubert, K.; Bhan, S.; Biswas, T.K.; Frank, K.; Panday, P.K.","Einige Strukturdaten metallischer Phasen, 13. Mitteilung","Naturwissenschaften","1968","55","","542","543","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522859","16.42","","3.919","","5.473","","90","","90","","90","","352.187","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","","","- Ga Pt2 -","- Ga Pt2 -","- Ga8 Pt16 -","8","1","","Schubert, K.; Biswas, T.K.; Bhan, S.; Panday, P.K.; Frank, K.","Einige Strukturdaten metallischer Phasen. 13. Mitteilung","Naturwissenschaften","1968","55","","542","543","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522936","3.6414","","3.6414","","5.76","","90","","90","","120","","66.144","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Gd Y -","- Gd Y -","- Gd Y -","1","0.0416667","","Spedding, F.H.; Valletta, R.M.; Daane, A.H.","Some rare-earth alloy systems. I. La-Gd, La-Y, Gd-Y","Transactions of the American Society for Metals","1962","55","","483","491","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523170","3.689","","3.689","","3.689","","90","","90","","90","","50.203","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Gd (Mg0.5 Zn0.5)","","- Gd Mg0.5 Zn0.5 -","- Gd Mg0.5 Zn0.5 -","- Gd Mg0.5 Zn0.5 -","1","0.0208333","","Adamyan, V.E.; Abovyan, E.S.; Melikyan, M.A.; Karagebakyan, G.G.","Temperature dependences of magnetic susceptibility, magnetization and electrical resistivity in the system of solid solutions Gd Znx Mg1-x","Fizika Metallov i Metallovedenie","1983","55","","1083","1087","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523369","3.31","","3.31","","3.31","","90","","90","","90","","36.265","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pt Zr -","- Pt Zr -","- Pt Zr -","1","0.0208333","","Carl, W.; Schubert, K.","Strukturuntersuchungen in einigen zu T(4)-T(9) homologen und quasihomolgen Legierungssystemen","Zeitschrift fuer Metallkunde","1964","55","","704","710","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523936","3.291","","3.291","","3.291","","90","","90","","90","","35.644","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Ga0.15 Nb0.85)","","- Ga0.15 Nb0.85 -","- Ga0.15 Nb0.85 -","- Ga0.3 Nb1.7 -","2","0.0208333","","Jorda, J.L.; Fluekiger, R.; Muller, J.","On the formation and stability of the A15 phase in the niobium-gallium system","Journal of the Less-Common Metals","1977","55","","249","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","144560","2020-10-21","18:00:00",""
"1524204","3.874","","3.874","","3.874","","90","","90","","90","","58.141","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Fe0.5 Mn0.5) Pd3","","- Fe0.5 Mn0.5 Pd3 -","- Fe0.5 Mn0.5 Pd3 -","- Fe0.5 Mn0.5 Pd3 -","1","0.0208333","","Cherkashin, B.V.; Vereshchagin, Yu.A.; Kuranov, A.A.; Sidorenko, F.A.","Atomic ordering in solid solutions","Fizika Metallov i Metallovedenie","1983","55","","176","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","144891","2020-10-21","18:00:00",""
"1524221","4.905","","4.905","","3.992","","90","","90","","120","","83.176","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Co5.5 Ho0.75 -","- Co5.5 Ho0.75 -","- Co5.5 Ho0.75 -","1","0.0416667","","Chuev, V.V.; Kelarev, V.V.; Sidorov, S.K.; Pirogov, A.N.; Koryakova, V.S.","Crystal structure and magnetic state of pseudobinary intermetallic compounds Ho (Co1-x Hox)5","Fizika Metallov i Metallovedenie","1983","55","","80","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524222","4.89","","4.89","","3.979","","90","","90","","120","","82.399","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Co2.5 Ni2.5) Ho","","- Co2.5 Ho Ni2.5 -","- Co2.5 Ho Ni2.5 -","- Co2.5 Ho Ni2.5 -","1","0.0416667","","Chuev, V.V.; Kelarev, V.V.; Koryakova, V.S.; Pirogov, A.N.; Sidorov, S.K.","Crystal structure and magnetic state of pseudobinary intermetallic compounds Ho (Co1-x Hox)5","Fizika Metallov i Metallovedenie","1983","55","","510","519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524269","2.872","","2.872","","2.872","","90","","90","","90","","23.689","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Cr0.7 Fe0.3)","","- Cr0.7 Fe0.3 -","- Cr0.7 Fe0.3 -","- Cr1.4 Fe0.6 -","2","0.0208333","","Dorofeev, Yu.A.; Men'shikov, A.Z.; Taksey, G.A.","Magnetic phase diagram of Fex Cr1-x alloys","Fizika Metallov i Metallovedenie","1983","55","","102","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","144990","2020-10-21","18:00:00",""
"1524456","7.595","","7.595","","2.9023","","90","","90","","120","","144.987","","","","","","","","","","","","","2","P 63","P 6c","173","","Si3 N4","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.333333","","Gruen, R.","Neubestimmung der Struktur von beta Si3 N4 aus Einkristalldaten","Fortschritte der Mineralogie, Beiheft","1977","55","","38","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","145223","2020-10-21","18:00:00",""
"1524852","3.111","","3.111","","3.111","","90","","90","","90","","30.109","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Cu (In0.5 Ti0.5)","","- Cu In0.5 Ti0.5 -","- Cu In0.5 Ti0.5 -","- Cu In0.5 Ti0.5 -","1","0.0208333","","Marazza, R.; Rambaldi, G.; Ferro, R.","Fasi intermetallichi ternarie, a rapporto stechiometrico 1:1:2 di struttura tipo Cs Cl et Al Cu2 Mn","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 8 (1, 1946-)","1973","55","","518","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524926","7.661","","7.661","","7.661","","90","","90","","90","","449.631","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Ce (Pt Rh)","","- Ce Pt Rh -","- Ce Pt Rh -","- Ce8 Pt8 Rh8 -","8","0.0416667","","Mihalisin, T.; Harrus, A.; Raaen, S.; Parks, R.D.","L(III) absorption studies of the mixed valence systems Ce (Rh1-x Rux)2 and Ce (Pt1-y Pty)2","Journal of Applied Physics","1984","55","","1966","1968","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524927","7.539","","7.539","","7.539","","90","","90","","90","","428.491","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Ce (Rh Ru)","","- Ce Rh Ru -","- Ce Rh Ru -","- Ce8 Rh8 Ru8 -","8","0.0416667","","Mihalisin, T.; Parks, R.D.; Raaen, S.; Harrus, A.","L(III) absorption studies of the mixed valence systems Ce (Rh1-x Rux)2 and Ce (Pt1-y Pty)2","Journal of Applied Physics","1984","55","","1966","1968","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524967","7.68","","7.68","","7.68","","90","","90","","90","","452.985","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Fe0.1 Mn0.9)2 Gd","","- Fe0.2 Gd Mn1.8 -","- Fe0.2 Gd Mn1.8 -","- Fe1.6 Gd8 Mn14.4 -","8","0.0416667","","Nagai, H.; Yoshie, H.; Oyama, N.; Ikami, Y.; Tsujimura, A.","The magnetic properties of pseudo-binary compounds, Gd (Fe1-x Mnx)2 and Gd6 (Fe1-y Mny)23","Journal of the Physical Society of Japan","1986","55","","177","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525103","4.931","","4.931","","4.04","","90","","90","","120","","85.071","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ce (Fe Ni4)","","- Ce Fe Ni4 -","- Ce Fe Ni4 -","- Ce Fe Ni4 -","1","0.0416667","","Pourarian, F.; Wallace, W.E.; Pedziwiatr, A.","Magnetic properties of R Ni4 Fe alloys (R= La, Ce or Y)","Journal of Applied Physics","1984","55","","1981","1983","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527363","11.769","","11.769","","11.769","","106.5","","106.5","","106.5","","1375.67","","","","","","","","","","","","","5","R -3 :R","-P 3*","148","","Na12 Mg7 (S O4)13 (H2 O)15","","- H30 Mg7 Na12 O67 S13 -","- Mg7 Na12 O67 S13 -","- Mg7 Na12 O67 S13 -","1","0.166667","","Fang, J.H.; Robinson, P.D.","Crystal structures and mineral chemistry of double-salt hydrates: II. The crystal structure of Loeweite","American Mineralogist","1970","55","","378","386","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528408","7.6","","6.48","","6.25","","90","","90","","90","","307.8","","","","","","","","","","","","","4","P m n 21","P 2ac -2","31","","Cu2 Cd (Si S4)","","- Cd Cu2 S4 Si -","- Cd Cu2 S4 Si -","- Cd2 Cu4 S8 Si2 -","2","0.5","","Chapuis, G.; Niggli, A.","Die idealisierte Kristallstruktur von Cu2 Cd Si S4","Naturwissenschaften","1968","55","","441","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528707","9.775","","9.775","","9.775","","90","","90","","90","","934.007","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","(Ba3 P2)5.3333","","- Ba15.9999 P10.6666 -","- Ba16 P10.6668 -","- Ba16 P10.6668 -","1","0.0208333","","Maass, K.E.","Eigenschaften und Kristallstruktur des Bariumphosphids Ba3 P2","Naturwissenschaften","1968","55","","489","490","","","","","","","","","","","","","","","","","","","","","","has coordinates","151295","2020-10-21","18:00:00",""
"1528807","8.14","","8.14","","8.14","","90","","90","","90","","539.353","","","","","","","","","","","","","3","I 21 3","I 2b 2c 3","199","","Hg3 S2 F2","","- F2 Hg3 S2 -","- F2 Hg3 S2 -","- F8 Hg12 S8 -","4","0.166667","","Puff, H.; Heine, D.; Lieck, G.","Quecksilberschwefelfluoride","Naturwissenschaften","1968","55","","298","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","151511","2020-10-21","18:00:00",""
"1528895","9.173","","9.094","","9.202","","90","","90","","90","","767.624","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Li5 Ga O4","","- Ga Li5 O4 -","- Ga Li5 O4 -","- Ga8 Li40 O32 -","8","1","","Stewner, F.; Hoppe, R.","Ueber 'Kationen-reiche' Oxide. Zur Kenntnis von Li5 Ga O4 und Li5 Al O4","Naturwissenschaften","1968","55","","297","297","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528968","12.366","","13.276","","9.943","","90","","108.23","","90","","1550.42","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Mn2 (O H) (P O4)","","- H Mn2 O5 P -","- Mn2 O5 P -","- Mn32 O80 P16 -","16","4","","Waldrop, L.","Crystal structure of triploidite","Naturwissenschaften","1968","55","","296","297","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528969","12.065","","6.454","","9.937","","90","","107.09","","90","","739.603","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Mn2 F (P O4)","","- F Mn2 O4 P -","- F Mn2 O4 P -","- F8 Mn16 O32 P8 -","8","1","","Waldrop, L.","Crystal structure of triplite","Naturwissenschaften","1968","55","","178","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529218","6.87295","0.00014","16.66399","0.00021","11.85043","0.00017","90","","90","","90","","1357.24","0.04","300","","300","","","","","","","","","6","P n m a","-P 2ac 2n","62","","catena-bis(2-thiobarbiturato)-diaqua-barium","","- C8 H6 Ba N4 O6 S2 -","- C8 H10 Ba N4 O6 S2 -","- C32 H40 Ba4 N16 O24 S8 -","4","0.5","","Golovnev, Nikolay; Molokeev, Maxim","Crystal structures of two barium 2-thiobarbiturate complexes","Journal of Structural Chemistry","2014","55","5","871","","10.1134/S0022476614050114","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.096","3.881","","","","","","","has coordinates,has Fobs","294957","2024-10-01","15:19:48",""
"1529219","9.1339","0.0013","9.8527","0.0014","10.0198","0.0014","103.674","0.002","99.491","0.002","101.683","0.002","836.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","catena-(μ~4~-2-thiobarbiturato-O,O,O',S)-(2-thiobarbiturato-O)- (μ~2~-aqua)-diaqua-barium","","- C8 H16 Ba N4 O9 S2 -","- C8 H16 Ba N4 O9 S2 -","- C16 H32 Ba2 N8 O18 S4 -","2","1","","Golovnev, Nicolay; Molokeev, Maxim","Crystal structures of two barium 2-thiobarbiturate complexes","Journal of Structural Chemistry","2014","55","5","871","","10.1134/S0022476614050114","","","0.71073","MoKα","","0.0727","0.0453","","","0.0799","0.0943","","","","","","0.999","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529225","15.10391","0.00027","12.80183","0.0002","3.864549","0.000057","90","","97.2028","0.0014","90","","741.34","0.02","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","C4 H2 N2 O2 S Tl2","- C4 H2 N2 O2 S Tl2 -","- C4 H2 N2 O2 S Tl2 -","- C16 H8 N8 O8 S4 Tl8 -","4","1","","Golovnev, Nikolay; Molokeev, Maxim","Crystal structure of catena-(2-thiobarbiturato) dithallium(I)","Journal of Structural Chemistry","2014","55","1","125","","10.1134/S002247661401020X","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","","","","2.097","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529335","9.84698","0.00014","13.57512","0.00019","7.36519","0.0001","90","","90","","90","","984.53","0.02","300","","300","","","","","","","","","4","P c n b","-P 2b 2ac","60","","","","- Dy8 Fe8.58 O56 Ti15.42 -","- Dy8 Fe8.576 O56 Ti15.424 -","- Dy8 Fe8.576 O56 Ti15.424 -","1","0.125","","T.V. Drokina; G.A. Petrakovskii; M.S. Molokeev; D.A. Velikanov; O.N. Pletnev; O.A. Bayukov","Specific features of the crystal structure and magnetic properties of the DyFeTi2O7 compound","Physics of the Solid State","2013","55","10","2037","2042","10.1134/S1063783413100107","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.775","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529336","5.89467","0.00027","5.89467","0.00027","10.68564","0.00048","90","","90","","90","","371.3","0.03","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- F7 N2 Ta -","- F7 H8 N2 Ta -","- F14 H16 N4 Ta2 -","2","0.125","","E.I. Pogoreltsev; S.V. Melnikova; A.V. Kartashev; M.S. Molokeev; M.V. Gorev; I.N. Flerov; N.M. Laptash","Ferroelastic phase transitions in (NH4)2TaF7","Physics of the Solid State","2013","55","3","611","618","10.1134/S1063783413030232","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","0.05232","","","","","","","0.0744","","","","","","","","has coordinates,has Fobs","186594","2020-10-21","18:00:00",""
"1529587","12.359","","16.48","","9.387","","90","","103.96","","90","","1855.44","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Sb3 Cl10.7 F4.3","","- Cl10.7 F4.3 Sb3 -","- Cl10.7 F4.3 Sb3 -","- Cl42.8 F17.2 Sb12 -","4","1","","Ballard, J.G.; Birchall, T.; Slim, D.R.","The preparation and characterization of Sb3 Cl11 F4","Canadian Journal of Chemistry","1977","55","","743","748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529681","9.933","","6.522","","5.475","","90","","90","","90","","354.687","","","","","","","","","","","","","4","P m n 21","P 2ac -2","31","","(Ru Cl3 (N H3)3)","","- Cl3 H9 N3 Ru -","- Cl3 N3 Ru -","- Cl6 N6 Ru2 -","2","0.5","","Bottomley, F.","On the blue complexes of ruthenium. Part II. The structure of fac-trichlorotriammineruthenium(III)","Canadian Journal of Chemistry","1977","55","","2788","2791","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529763","8.675","","8.123","","15.786","","90","","90","","90","","1112.39","","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Hg Cl2 (C H5 N3 S)2","","- C2 H10 Cl2 Hg N6 S2 -","- C2 H10 Cl2 Hg N6 S2 -","- C8 H40 Cl8 Hg4 N24 S8 -","4","0.5","","Chieh, C.","Synthesis and structure of dichlorobis(thiosemicarbazide) Mercury(II)","Canadian Journal of Chemistry","1977","55","","1583","1587","","","","","","","","","","","","","","","","","","","","","","has coordinates","186643","2020-10-21","18:00:00",""
"1529764","8.966","","6.817","","12.092","","90","","100.3","","90","","727.168","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(S (C N H2) N H N H2) Hg Cl2","","- C H5 Cl2 Hg N3 S -","- C Cl2 Hg N3 S -","- C4 Cl8 Hg4 N12 S4 -","4","1","","Chieh, C.; Cowell, H.","Synthesis and crystal structure of thiosemicarbazidedichloromercury(II)","Canadian Journal of Chemistry","1977","55","","3898","3900","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530015","3.35","","3.35","","17.94","","90","","90","","120","","174.358","","","","","","","","","","","","","2","P -6 2 c","P -6c -2c","190","","K0.5 (H2 O)0.4 Nb S2","","- Nb S2 -","- Nb S2 -","- Nb2 S4 -","2","0.166667","","Graf, H.A.; Lerf, A.; Schoellhorn, R.","A crystal structure investigation of the hydrated layered chalcogenides Kx (H2 O)y Nb S2 and Kx (H2 O)y Ta S2","Journal of the Less-Common Metals","1977","55","","213","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530016","3.336","","3.336","","18.18","","90","","90","","120","","175.217","","","","","","","","","","","","","2","P -6 2 c","P -6c -2c","190","","K0.33 (H2 O)0.6 Ta S2","","- S2 Ta -","- S2 Ta -","- S4 Ta2 -","2","0.166667","","Graf, H.A.; Schoellhorn, R.; Lerf, A.","A crystal structure investigation of the hydrated layered chalcogenides Kx (H2 O)y Nb S2 and Kx (H2 O)y Ta S2","Journal of the Less-Common Metals","1977","55","","213","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530308","7.063","","7.063","","6.304","","90","","90","","90","","314.481","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Dy (As O4)","","- As Dy O4 -","- As Dy O4 -","- As4 Dy4 O16 -","4","0.125","","Long, F.G.; Stager, C.V.","Low temperature crystal structure of Tb As O4 and Dy As O4","Canadian Journal of Physics","1977","55","","1633","1640","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530309","7.105","","7.105","","6.336","","90","","90","","90","","319.848","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Tb (As O4)","","- As O4 Tb -","- As O4 Tb -","- As4 O16 Tb4 -","4","0.125","","Long, F.G.; Stager, C.V.","Low temperature crystal structure of Tb As O4 and Dy As O4","Canadian Journal of Physics","1977","55","","1633","1640","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530362","11.976","","11.976","","7.055","","90","","90","","120","","876.297","","","","","","","","","","","","","2","R 3 :H","R 3","146","","Pd7 P3","","- P3 Pd7 -","- P3 Pd7 -","- P18 Pd42 -","6","0.666667","","Matkovic, T.; Schubert, K.","Kristallstruktur von Pd7 P3","Journal of the Less-Common Metals","1977","55","","177","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","155447","2020-10-21","18:00:00",""
"1530419","10.615","","19.095","","9.432","","90","","97.94","","90","","1893.48","","","","","","","","","","","","","3","I 1 c 1","I -2yc","9","","V (P O3)3","","- O9 P3 V -","- O9 P3 V -","- O108 P36 V12 -","12","3","","Middlemiss, N.; Hawthorne, F.C.; Calvo, C.","Crystal structure of vanadium(III)tris(metaphosphate)","Canadian Journal of Chemistry","1977","55","","1673","1679","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530438","14.018","","5.683","","7.143","","90","","115.23","","90","","514.758","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Pb2 (Cr O4) O","","- Cr O5 Pb2 -","- Cr O5 Pb2 -","- Cr4 O20 Pb8 -","4","0.5","","Morita, S.; Toda, K.","Determination of the crystal structure of Pb2 Cr O5","Journal of Applied Physics","1984","55","","2733","2737","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530507","17.27","","9.17","","18.55","","90","","98","","90","","2909.1","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(H3 O)2 (Mo6 Cl8) Cl6 (H2 O)6","","- Cl14 H18 Mo6 O8 -","- Cl14 Mo6 O8 -","- Cl56 Mo24 O32 -","4","0.5","","Okumura, Hajime; Taga, Tooru; Osaki, Kenji; Tsujikawa, Ikuji","A Molybdenum polynuclear complex as small metallic particles","Bulletin of the Chemical Society of Japan","1982","55","1","307","308","10.1246/bcsj.55.307","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530593","6.404","","6.875","","4.379","","90","","90","","90","","192.796","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Ho F3","","- F3 Ho -","- F3 Ho -","- F12 Ho4 -","4","0.5","","Piotrowski, M.; Ptasiewicz-Bak, H.; Murasik, A.","The crystal structures of Ho F3 and Tb F3 by neutron diffraction","Physica Status Solidi, Sectio A: Applied Research","1979","55","","163","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530594","6.513","","6.949","","4.384","","90","","90","","90","","198.415","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Tb F3","","- F3 Tb -","- F3 Tb -","- F12 Tb4 -","4","0.5","","Piotrowski, M.; Ptasiewicz-Bak, H.; Murasik, A.","The crystal structures of Ho F3 and Tb F3 by neutron diffraction","Physica Status Solidi, Sectio A: Applied Research","1979","55","","K163","K166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533087","4.263","","4.263","","4.263","","90","","90","","90","","77.472","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Co O -","- Co O -","- Co4 O4 -","4","0.0208333","","Sasaki, Satoshi; Fujino, Kiyoshi; Takéuchi, Yoshio","X-Ray Determination of Electron-Density Distributions in Oxides, MgO, MnO, CoO, and NiO, and Atomic Scattering Factors of their Constituent Atoms","Proceedings of the Japan Academy, Series B: Physical and Biological Sciences","1979","55","2","43","48","10.2183/pjab.55.43","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:09",""
"1536455","24.739","","24.739","","4.412","","90","","90","","120","","2338.46","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","(As I3) (S8)3","","- As I3 S24 -","- As I3 S24 -","- As3 I9 S72 -","3","0.166667","","Kelly, J.F.; Krausz, E.; Samoc, A.; Samoc, M.; Willis, A.C.","Crystal structure of the second order nonlinear optical addition complex, (As I3) * 3(S8)","Australian Journal of Chemistry","2002","55","","709","714","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1537670","5.491","","5.491","","5.491","","90","","90","","90","","165.56","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Pr D2","","- D2 Pr -","- D2 Pr -","- D8 Pr4 -","4","0.0208333","","Arons, R.R.; Cable, J.W.","Magnetic order of Pr D1.95 and Ce D1.95","Solid State Communications","1985","55","","835","838","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537728","4.867","","4.867","","3.966","","90","","90","","120","","81.359","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ho Ni5 -","- Ho Ni5 -","- Ho Ni5 -","1","0.0416667","","Chuev, V.V.; Kelarev, V.V.; Pirogov, A.N.; Sidorov, S.K.; Koryakova, V.S.","Crystal structure and magnetic state of pseudobinary intermetallic compounds Ho (Co1-x Hox)5","Physics of Metals and Metallography","1983","55","","80","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538050","3.855","","3.855","","3.712","","90","","90","","90","","55.164","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Mn Pt -","- Mn Pt -","- Mn2 Pt2 -","2","0.125","","Gasnikova, G.P.; Dorofeev, Yu.A.; Sidorov, S.K.; Men'shikov, A.Z.","Magnetic phase transitions in ordered (Fe1-x Mnx) Pt alloys","Physics of Metals and Metallography","1983","55","","86","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538185","4.149","","4.149","","5.771","","90","","90","","120","","86.034","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mn Sb -","- Mn Sb -","- Mn2 Sb2 -","2","0.0833333","","Grazhdankina, N.P.; Medvedeva, I.V.","Influence of high pressure on the magnetic properties of alloys Mn1-x Crx Sb","Physics of Metals and Metallography","1983","55","","83","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538300","9.707","","9.707","","9.707","","90","","90","","90","","914.65","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","","","- La4 Pb Sb2 -","- La4 Pb0.999 Sb2.001 -","- La16 Pb3.996 Sb8.004 -","4","0.0833333","","Hulliger, F.; Ott, H.R.","Superconductivity of lanthanum pnictides","Journal of the Less-Common Metals","1977","55","","103","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538301","9.686","","9.686","","9.686","","90","","90","","90","","908.727","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","","","- La4 Sb2 Sn -","- La4 Sb2.001 Sn0.999 -","- La16 Sb8.004 Sn3.996 -","4","0.0833333","","Hulliger, F.; Ott, H.R.","Superconductivity of lanthanum pnictides","Journal of the Less-Common Metals","1977","55","","103","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538302","9.553","","9.553","","9.553","","90","","90","","90","","871.805","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","La3 Y Sb3","","- La3 Sb3 Y -","- La3 Sb3 Y -","- La12 Sb12 Y4 -","4","0.0833333","","Hulliger, F.; Ott, H.R.","Superconductivity of lanthanum pnictides","Journal of the Less-Common Metals","1977","55","","103","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538637","4.222","","4.222","","2.724","","90","","90","","120","","42.051","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Li2 Pd -","- Li2 Pd -","- Li2 Pd -","1","0.0416667","","Loebich, O.; Raub, C.J.","Das Zustandsdiagramm Lithium-Palladium und die magnetischen Eigenschaften der Li-Pd-Legierungen","Journal of the Less-Common Metals","1977","55","","67","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538690","3.81","","3.81","","3.88","","90","","90","","90","","56.322","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Pt V -","- Pt V -","- Pt2 V2 -","2","0.125","","Maldonado, A.; Schubert, K.","Strukturuntersuchungen in einigen zu T(5)-T(10) homologen und quasihomologen Legierungssystemen","Zeitschrift fuer Metallkunde","1964","55","","619","626","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538693","2.748","","8.238","","3.915","","90","","90","","90","","88.628","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","","","- Mo Pt2 -","- Mo Pt2 -","- Mo2 Pt4 -","2","0.125","","Maldonado, A.; Schubert, K.","Strukturuntersuchungen in einigen zu T(5)-T(10) homologen und quasihomologen Legierungssystemen","Zeitschrift fuer Metallkunde","1964","55","","619","626","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538979","3.858","","3.858","","3.858","","90","","90","","90","","57.423","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ir3 Ti -","- Ir3 Ti -","- Ir3 Ti -","1","0.0208333","","Raman, A.; Schubert, K.","Strukturuntersuchungen in einigen zu T(4)-T(9) homologen und quasihomologen Legierungssystemen","Zeitschrift fuer Metallkunde","1964","55","","704","710","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538981","7.346","","7.346","","7.346","","90","","90","","90","","396.417","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ir2 Zr -","- Ir2 Zr -","- Ir16 Zr8 -","8","0.0416667","","Raman, A.; Schubert, K.","Strukturuntersuchungen in einigen zu T(4)-T(9) homologen und quasihomologen Legierungssystemen","Zeitschrift fuer Metallkunde","1964","55","","704","710","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539008","7.17","","7.17","","7.17","","90","","90","","90","","368.602","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Mn2 U -","- Mn2 U -","- Mn16 U8 -","8","0.0416667","","Petzow, G.; Steeb, S.","Das quasibinaere System U Mn2 - U Al2","Zeitschrift fuer Metallkunde","1964","55","","456","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539017","3.862","","3.862","","3.862","","90","","90","","90","","57.602","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pt Rh -","- Pt Rh -","- Pt2 Rh2 -","2","0.0104167","","Raub, E.; Falkenburg, G.","Das System Gold-Platin-Rhodium und die binaeren Randsysteme","Zeitschrift fuer Metallkunde","1964","55","","392","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539019","3.821","","3.821","","3.821","","90","","90","","90","","55.787","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ir3 Ru2)0.8","","- Ir2.4 Ru1.6 -","- Ir2.4 Ru1.6 -","- Ir2.4 Ru1.6 -","1","0.00520833","","Raub, E.","Die Ruthenium-Iridium Legierungen","Zeitschrift fuer Metallkunde","1964","55","","316","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","167745","2020-10-21","18:00:00",""
"1539285","2.932","","2.932","","7.497","","90","","90","","90","","64.449","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Pd3 Tl -","- Pd3 Tl -","- Pd6 Tl2 -","2","0.0625","","Schubert, K.; Bhan, S.; Biswas, T.; Panday, P.K.; Frank, K.","Einige Strukturdaten metallischer Phasen, 13. Mitteilung","Naturwissenschaften","1968","55","","542","543","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540314","2.767","","2.767","","4.149","","90","","90","","120","","27.51","","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","","","- Li Pd -","- Li Pd -","- Li Pd -","1","0.0833333","","Loebich, O.; Raub, C.J.","Das Zustandsdiagramm Lithium-Palladium und die magnetischen Eigenschaften der Li-Pd-Legierungen","Journal of the Less-Common Metals","1977","55","","67","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540735","10.2721","0.0015","12.99","0.0019","9.383","0.0014","90","","90","","90","","1252","0.3","296","2","296.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","","Piechowicz, Marek; Abney, Carter W.; Zhou, Xin; Thacker, Nathan C.; Li, Zhong; Lin, Wenbin","Design, Synthesis, and Characterization of a Bifunctional Chelator with Ultrahigh Capacity for Uranium Uptake from Seawater Simulant","Industrial & Engineering Chemistry Research","2016","55","15","4170","","10.1021/acs.iecr.5b03304","","","0.41328","","","0.1045","0.0602","","","0.126","0.1437","","","","","","1.015","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1542338","21.4238","0.0013","24.3862","0.0015","32.254","0.002","78.729","0.003","76.442","0.003","69.579","0.003","15231.9","1.7","150","","150","","","","","","","","","2","P -1","-P 1","2","","","","- C414 H324 -","- C414 H324 -","- C828 H648 -","2","1","","Daniel Beaudoin; Olivier Levasseur-Grenon; Thierry Maris; James D. Wuest","Building Giant Carbocycles by Reversible C-C Bond Formation","Angew. Chem. Int. Ed.","2016","55","","894","898","","","x-ray","1.54178","CuKα","","0.1514","0.0896","","","0.2487","0.3004","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","175239","2020-10-21","18:00:00",""
"1542339","40.4249","0.0014","19.5832","0.0007","34.5941","0.0012","90","","104.404","0.0018","90","","26525.6","1.6","150","","150","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C340 H338 -","- C340 H338 -","- C1360 H1352 -","4","0.5","","Daniel Beaudoin; Olivier Levasseur-Grenon; Thierry Maris; James D. Wuest","Building Giant Carbocycles by Reversible C-C Bond Formation","Angew. Chem. Int. Ed.","2016","55","","894","898","","","x-ray","1.54178","CuKα","","0.0816","0.0664","","","0.189","0.2036","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:44",""
"1542340","19.769","0.003","20.688","0.002","21.451","0.003","99.349","0.005","97.218","0.006","114.704","0.005","7678.8","1.8","150","","150","","","","","","","","","2","P -1","-P 1","2","","","","- C388 H398 -","- C388 H398 -","- C388 H398 -","1","0.5","","Daniel Beaudoin; Olivier Levasseur-Grenon; Thierry Maris; James D. Wuest","Building Giant Carbocycles by Reversible C-C Bond Formation","Angew. Chem. Int. Ed.","2016","55","","894","898","","","x-ray","1.54178","CuKα","","0.1526","0.112","","","0.3181","0.357","","","","","","1.23","","","","has coordinates,has disorder,has Fobs","175241","2020-10-21","18:00:00",""
"1548482","18.8083","0.0009","18.8083","0.0009","5.8941","0.0004","90","","90","","120","","1805.71","0.17","93","2","93","2","","","","","","","","6","P 31","P 31","144","","","","- C24 H26 F3 N3 O2 S -","- C24 H26 F3 N3 O2 S -","- C72 H78 F9 N9 O6 S3 -","3","1","","Jeffrey A. Boerth; Joshua R. Hummel; Jonathan A. Ellman","Highly Stereoselective Co(III)-Catalyzed Three-Component C-H Bond Addition Cascade","Angewandte Chemie International Edition Engl.","2016","55","","12650","12654","10.1002/anie.201603831","","","1.54178","CuKα","","0.036","0.0312","","","0.0718","0.0739","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548483","6.10754","0.0001","15.2412","0.0003","20.5393","0.0004","90","","95.0631","0.0016","90","","1904.47","0.06","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C84 H112 N8 O8 -","4","1","","Jeffrey A. Boerth; Joshua R. Hummel; Jonathan A. Ellman","Highly Stereoselective Co(III)-Catalyzed Three-Component C-H Bond Addition Cascade","Angewandte Chemie International Edition Engl.","2016","55","","12650","12654","10.1002/anie.201603831","","","1.54184","CuKα","","0.0361","0.0343","","","0.0853","0.0869","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1550805","7.6952","0.0005","12.1964","0.0008","19.5655","0.0012","90","","97.259","0.003","90","","1821.6","0.2","102","2","102","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sb2-20","","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C96 H72 N8 O8 -","4","1","","Bete, Sarah C.; Würtele, Christian; Otte, Matthias","A bio-inspired imidazole-functionalised copper cage complex","Chemical Communications","2019","55","30","4427","4430","10.1039/C9CC00437H","","","0.71073","MoKα","","0.0687","0.0494","","","0.1078","0.1173","","","","","","1.039","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550806","15.9483","0.0012","18.9098","0.0017","20.1274","0.0015","93.485","0.002","110.627","0.003","109.075","0.002","5261.7","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","sbe1-01-05","","","- C110 H128 Cu F6 N12 O2 Sb -","- C110 H128 Cu F6 N12 O2 Sb -","- C220 H256 Cu2 F12 N24 O4 Sb2 -","2","1","","Bete, Sarah C.; Würtele, Christian; Otte, Matthias","A bio-inspired imidazole-functionalised copper cage complex","Chemical Communications","2019","55","30","4427","4430","10.1039/C9CC00437H","","","0.71073","MoKα","","0.112","0.086","","","0.2108","0.2336","","","","","","1.064","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1550836","6.8651","0.0005","19.3795","0.0013","18.327","0.0013","90","","99.218","0.002","90","","2406.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O2 S -","- C27 H22 N2 O2 S -","- C108 H88 N8 O8 S4 -","4","1","","Sinha, Sanghamitra; Chowdhury, Bijit; Ghorai, Uttam Kumar; Ghosh, Pradyut","Multitasking behaviour of a small organic compound: solid state bright white-light emission, mechanochromism and ratiometric sensing of Al( <scp>iii</scp> ) and pyrophosphate","Chemical Communications","2019","55","35","5127","5130","10.1039/C8CC10258A","","","0.71073","MoKα","","0.0853","0.0669","","","0.1782","0.1858","","","","","","1.219","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1551245","15.7324","0.0016","13.8338","0.0014","19.0436","0.0019","90","","110.691","0.001","90","","3877.3","0.7","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H59 Cl Hf N2 O4 -","- C38 H59 Cl Hf N2 O4 -","- C152 H236 Cl4 Hf4 N8 O16 -","4","1","","Lalrempuia, Ralte; Underhaug, Jarl; Törnroos, Karl W.; Le Roux, Erwan","Anionic hafnium species: an active catalytic intermediate for the coupling of epoxides with CO <sub>2</sub> ?","Chemical Communications","2019","55","50","7227","7230","10.1039/C9CC02695A","","","0.71073","MoKα","","0.0464","0.0378","","","0.097","0.1006","","","","","","1.079","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1551246","15.031","0.0012","15.1732","0.0012","20.3432","0.0017","109.719","0.001","93.383","0.001","116.05","0.001","3804.3","0.5","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H90 Cl3 Hf N3 O4 P2 -","- C75 H90 Cl3 Hf N3 O4 P2 -","- C150 H180 Cl6 Hf2 N6 O8 P4 -","2","1","","Lalrempuia, Ralte; Underhaug, Jarl; Törnroos, Karl W.; Le Roux, Erwan","Anionic hafnium species: an active catalytic intermediate for the coupling of epoxides with CO <sub>2</sub> ?","Chemical Communications","2019","55","50","7227","7230","10.1039/C9CC02695A","","","0.71073","MoKα","","0.0647","0.0531","","","0.1391","0.1461","","","","","","1.048","","","","has coordinates","282777","2023-04-20","11:56:52",""
"1551247","16.5953","0.0006","14.0285","0.0005","17.4961","0.0007","90","","96.24","0.001","90","","4049.1","0.3","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H62 Cl2 Hf N2 O4 -","- C39 H62 Cl2 Hf N2 O4 -","- C156 H248 Cl8 Hf4 N8 O16 -","4","1","","Lalrempuia, Ralte; Underhaug, Jarl; Törnroos, Karl W.; Le Roux, Erwan","Anionic hafnium species: an active catalytic intermediate for the coupling of epoxides with CO <sub>2</sub> ?","Chemical Communications","2019","55","50","7227","7230","10.1039/C9CC02695A","","","0.71073","MoKα","","0.0442","0.0352","","","0.0895","0.095","","","","","","1.071","","","","has coordinates","282777","2023-04-20","11:56:52",""
"1551248","10.3034","0.0004","11.7652","0.0009","20.357","0.0007","90","","90","","90","","2467.7","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18.5 H25.5 N2.5 O9.5 Zn2 -","- C14 H15 N O8 Zn2 -","- C56 H60 N4 O32 Zn8 -","4","1","","Slater, Benjamin; Wong, So-On; Duckworth, Andrew; White, Andrew J. P.; Hill, Matthew R.; Ladewig, Bradley P.","Upcycling a plastic cup: one-pot synthesis of lactate containing metal organic frameworks from polylactic acid","Chemical Communications","2019","55","51","7319","7322","10.1039/C9CC02861G","","","1.54184","CuKα","","0.0514","0.0441","","","0.1155","0.1209","","","","","","1.048","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1552124","8.4591","0.0004","8.6474","0.0004","10.5245","0.0005","100.022","0.004","98.821","0.003","92.677","0.004","747.01","0.06","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H14 Co F12 N2 O4 S4 -","- C24 H14 Co F12 N2 O4 S4 -","- C24 H14 Co F12 N2 O4 S4 -","1","0.5","","Leckie, Dominique; Stephaniuk, Nadia T.; Arauzo, Ana; Campo, Javier; Rawson, Jeremy M.","Exploring through-bond and through-space magnetic communication in 1,3,2-dithiazolyl radical complexes","Chemical Communications","2019","55","66","9849","9852","10.1039/C9CC04271G","","","1.54178","CuKα","","0.0805","0.0581","","","0.1127","0.1245","","","","","","1.064","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1552125","8.4587","0.0004","8.5811","0.0005","10.6424","0.0005","99.8","0.003","97.782","0.002","91.947","0.002","752.91","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H14 F12 N2 O4 S4 Zn -","- C24 H14 F12 N2 O4 S4 Zn -","- C24 H14 F12 N2 O4 S4 Zn -","1","0.5","","Leckie, Dominique; Stephaniuk, Nadia T.; Arauzo, Ana; Campo, Javier; Rawson, Jeremy M.","Exploring through-bond and through-space magnetic communication in 1,3,2-dithiazolyl radical complexes","Chemical Communications","2019","55","66","9849","9852","10.1039/C9CC04271G","","","0.71073","MoKα","","0.0505","0.0451","","","0.1005","0.1033","","","","","","1.131","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1552126","28.857","0.002","28.857","0.002","10.4312","0.0007","90","","90","","120","","7522.6","0.9","170","2","170","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H14 F12 Mn N2 O4 S4 -","- C24 H14 F12 Mn N2 O4 S4 -","- C216 H126 F108 Mn9 N18 O36 S36 -","9","0.5","","Leckie, Dominique; Stephaniuk, Nadia T.; Arauzo, Ana; Campo, Javier; Rawson, Jeremy M.","Exploring through-bond and through-space magnetic communication in 1,3,2-dithiazolyl radical complexes","Chemical Communications","2019","55","66","9849","9852","10.1039/C9CC04271G","","","1.54178","CuKα","","0.0918","0.069","","","0.1732","0.1935","","","","","","1.066","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1566637","7.78","0.01","7.78","0.01","7.78","0.01","113.1","0.2","113.1","0.2","113.1","0.2","304","2","","","","","","","","","","","","2","R -3 :R","-P 3*","148","ice II","","","- D2 O -","- D2 O -","- D24 O12 -","12","2","","Kamb, B.; Hamilton, W.C.; LaPlaca, S.J.; Prakash, A.","Ordered Proton Configuration in Ice II, from Single - Crystal Neutron Diffraction","The Journal of Chemical Physics","1971","55","","1934","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273831","2022-03-20","03:25:56",""
"1568677","7.344","0.003","7.485","0.002","10.775","0.004","90","","91.06","0.03","90","","592.2","0.4","293","","293","","","","","","","","see text","5","P 1 21/a 1","-P 2yab","14","","","","- C4 H14 Cd Cl4 N2 -","- C4 H14 Cd Cl4 N2 -","- C8 H28 Cd2 Cl8 N4 -","2","0.5","","El Mostafa Khechoubi; A. Bendani; N Guyen Ba Chanh; Christian Courseille; Robert Duplessix; Michel Couzi","Thermal conformational changes in a bidimensional molecular composite material: A thermodynamic and crystallographic study of NH3-(CH2)4-NH3 CdCl4","Journal of Physics and Chemistry of Solids","1994","55","11","1277","1288","","","x-ray","0.71073","MoKα","","","0.0569","","","0.0575","","","","","","","","","","","has coordinates","281930","2023-03-17","14:48:48",""
"1568678","7.377","0.003","7.538","0.004","10.6","0.002","90","","90","","90","","589.4","0.4","373","","373","","","","","","","","see text","5","P m a n","-P 2ab 2","53","","","","- C4 H14 Cd Cl4 N2 -","- C4 H14 Cd Cl4 N2 -","- C8 H28 Cd2 Cl8 N4 -","2","0.25","","El Mostafa Khechoubi; A. Bendani; N Guyen Ba Chanh; Christian Courseille; Robert Duplessix; Michel Couzi","Thermal conformational changes in a bidimensional molecular composite material: A thermodynamic and crystallographic study of NH3-(CH2)4-NH3 CdCl4","Journal of Physics and Chemistry of Solids","1994","55","11","1277","1288","","","x-ray","0.71073","MoKα","","","0.0284","","","0.031","","","","","","","","","","","has coordinates,has disorder","281931","2023-03-17","14:49:05",""
"1568679","7.657","0.001","7.585","0.001","9.541","0.002","90","","101.56","0.01","90","","542.89","0.15","","","293","","","","","","","","see text","5","P 1 21/a 1","-P 2yab","14","","catena-(Propane-1,4-diammonium bis(μ~2~-chloro)-dichloro-cadmium(ii))","","- C4 H14 Cd Cl4 N2 -","- C2 H7 Cd0.5 Cl2 N -","- C8 H28 Cd2 Cl8 N4 -","4","1","","El Mostafa Khechoubi; A. Bendani; N Guyen Ba Chanh; Christian Courseille; Robert Duplessix; Michel Couzi","Thermal conformational changes in a bidimensional molecular composite material: A thermodynamic and crystallographic study of NH3-(CH2)4-NH3 CdCl4","Journal of Physics and Chemistry of Solids","1994","55","11","1277","1288","","","","","","","","0.0767","","","0.0767","","","","","","","","","","","has coordinates","281932","2023-03-17","14:49:18",""
"1570600","10.617","0.002","10.736","0.002","8.7354","0.0017","90","","90","","90","","995.7","0.3","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","Strontium triphosphate(V) chloride","","","- Cl O10 P3 Sr3 -","- Cl O10 P3 Sr3 -","- Cl4 O40 P12 Sr12 -","4","0.5","","Gao, Jianhua; Liu, Xi; Song, Limei; Sha, Xunshan; Zhao, Pan; Guo, Ping","Synthesis and structure of a new halophosphate Sr 3 P 3 O 10 Cl with the flexible [P 3 O 10 ] 5− anions","Solid State Sciences","2016","55","","159","163","10.1016/j.solidstatesciences.2016.03.008","","","","","","","","","","","","","","","","","","","","","has coordinates","288565","2023-12-28","20:06:03",""
"2000053","10.734","0.004","10.734","0.004","35.245","0.006","90","","90","","120","","3516.83","","","","","","","","","","","","","6","P 31 2 1","P 31 2""","152","Chloro-bis((-)ephedrene)-palladium(ii)","","","- C20 H29 Cl N2 O2 Pd -","- C20 H29 Cl N2 O2 Pd -","- C120 H174 Cl6 N12 O12 Pd6 -","6","1","","Bouquillon, S.; du Moulinet d'Hardemare, A.; Averbuch-Pouchot, M.-T.; Hénin, F.; Muzart, J.; Durif, A.","A coordination compound of (‒)-ephedrine and palladium(II)","Acta Crystallographica, Section C: Crystal Structure Communications","1999","55","12","2028","2030","10.1107/s0108270199011555","","","","","","","0.03","","","0.03","","","","","","","","","","","has coordinates","199776","2020-10-21","18:00:00",""
"2000070","14.149","0.005","12.76","0.003","16.754","0.007","90","","107.68","0.03","90","","2881.92","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O S -","- C18 H16 O S -","- C144 H128 O8 S8 -","8","2","","Minassian, F.; Pelloux-Léon, N.; Durif, A.; Vallée, Y.","12-Formyl-9,10-dimethyl-9,10-dihydro-11-thia-9,10-ethanoanthracene","Acta Crystallographica, Section C: Crystal Structure Communications","1999","55","5","781","783","10.1107/s010827019801782x","","","","","","","0.041","","","0.041","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2002906","8.36","0.002","6.33","0.001","14.75","0.003","90","","92.86","0.03","90","","779.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Lys.3HIO3","α,ε–diaminocapronic acid.3HIO~3~","","- C6 H17 I3 N2 O11 -","- C6 H17 I3 N2 O11 -","- C12 H34 I6 N4 O22 -","2","1","AN0540","A. M. Petrosyan; R. P. Sukiasyan; S. S. Terzyan; V. M. Burbelo","Interaction of lysine with iodic acid","Acta Crystallographica Section B","1999","55","2","221","225","10.1107/S0108768198011975","","","0.71073","MoKα","","0.0339","0.0338","","0.0921","0.0918","","","","1.071","1.071","1.071","","","","","has coordinates","301791","2025-08-18","23:15:21",""
"2002915","7.235","0.002","13.056","0.004","14.415","0.004","90","","90","","90","","1361.6","0.7","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Acetyl-L-tyrosine Ethyl Ester Monohydrate","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","AN0551","Slimane Dahaoui; Christian Jelsch; Judith A. K. Howard; Claude Lecomte","Charge density study of <i>N</i>-acetyl-<small>L</small>-tyrosine ethyl ester monohydrate derived from CCD area detector data","Acta Crystallographica Section B","1999","55","2","226","230","10.1107/S0108768198012099","","","0.71073","MoKα","","","0.0272","","","0.0202","","","","","0.65","0.65","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:22",""
"2002916","7.3827","0.0002","13.1421","0.0004","14.515","0.0004","90","","90","","90","","1408.31","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Acetyl-L-tyrosine Ethyl Ester Monohydrate","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","AN0551","Slimane Dahaoui; Christian Jelsch; Judith A. K. Howard; Claude Lecomte","Charge density study of <i>N</i>-acetyl-<small>L</small>-tyrosine ethyl ester monohydrate derived from CCD area detector data","Acta Crystallographica Section B","1999","55","2","226","230","10.1107/S0108768198012099","","","0.71073","MoKα","","0.0526","0.0382","","0.0997","0.0874","","","","1.103","1.084","1.084","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2002917","7.4889","0.0008","17.273","0.002","7.4073","0.0008","90","0.0001","111.937","0.006","90","0.0001","888.8","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[1-(2-aminoethyl)-1,2-dihydroimidazolidene-2]nitroacetonitrile","","- C7 H11 N5 O2 -","- C7 H11 N5 O2 -","- C28 H44 N20 O8 -","4","1","AN0555","Chernyshev, Vladimir V.; Fitch, Andrew N.; Sonneveld, Eduard J.; Kurbakov, Alexander I.; Makarov, Vadim A.; Tafeenko, Victor A.","Crystal and molecular structures of 2-[1-(2-aminoethyl)-2-imidazolidinylidene]-2-nitroacetonitrile (C~7~H~11~N~5~O~2~) and 2,6-diamino-5-hydroxy-3-nitro-4<i>H</i>-pyrazolo[1,5-<i>a</i>]pyrimidin-7-one monohydrate (C~6~H~6~N~6~O~4~·H~2~O) from X-ray, synchrotron and neutron powder diffraction data","Acta Crystallographica Section B","1999","55","4","554","562","10.1107/S010876819900213X","","","0.85617","synchrotron","","","","","","","","","","1.45","","","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2002918","17.576","0.003","10.9","0.002","4.6738","0.0006","90","0.0001","92.867","0.008","90","0.0001","894.3","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,7-diamino-4-nitro-6-hydroxy-8-oxopyrazolo[1,5-a]pyrimidine monohydrate","","- C6 H8 N6 O5 -","- C6 H8 N6 O5 -","- C24 H32 N24 O20 -","4","1","AN0555","Chernyshev, Vladimir V.; Fitch, Andrew N.; Sonneveld, Eduard J.; Kurbakov, Alexander I.; Makarov, Vadim A.; Tafeenko, Victor A.","Crystal and molecular structures of 2-[1-(2-aminoethyl)-2-imidazolidinylidene]-2-nitroacetonitrile (C~7~H~11~N~5~O~2~) and 2,6-diamino-5-hydroxy-3-nitro-4<i>H</i>-pyrazolo[1,5-<i>a</i>]pyrimidin-7-one monohydrate (C~6~H~6~N~6~O~4~·H~2~O) from X-ray, synchrotron and neutron powder diffraction data","Acta Crystallographica Section B","1999","55","4","554","562","10.1107/S010876819900213X","","","0.95044","synchrotron","","","","","","","","","","1.75","","","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2002925","7.531","0.003","5.874","0.002","10.399","0.004","90","","90","","90","","460","0.3","200","","200","","","","","","","","","4","P n m a","-P 2ac 2n","62","","ammonium tetrafluoroberyllate","","- Be F4 H8 N2 -","- Be F4 H8 N2 -","- Be4 F16 H32 N8 -","4","0.5","BK0051","Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F.","Neutron structures of ammonium tetrafluoroberyllate","Acta Crystallographica Section B","1999","55","1","17","23","10.1107/S010876819800737X","","neutron","1.0462","neutron","","0.0679","0.0679","","0.0733","0.0733","","","","1.0428","1.0428","1.0428","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:22",""
"2002926","15.017","0.006","5.876","0.003","10.418","0.004","90","","90","","90","","919.3","0.7","163","","163","","","","","","","","","4","P n a 21","P 2c -2n","33","","ammonium tetrafluoroberyllate","","- Be F4 H8 N2 -","- Be F4 H8 N2 -","- Be8 F32 H64 N16 -","8","2","BK0051","Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F.","Neutron structures of ammonium tetrafluoroberyllate","Acta Crystallographica Section B","1999","55","1","17","23","10.1107/S010876819800737X","","neutron","1.0462","neutron","","0.0476","0.0476","","0.0552","0.0552","","","","1.065","1.065","1.065","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:22",""
"2002927","14.997","0.005","5.86","0.003","10.402","0.004","90","","90","","90","","914.2","0.7","20","","20","","","","","","","","","4","P n a 21","P 2c -2n","33","","ammonium tetrafluoroberyllate","","- Be F4 H8 N2 -","- Be F4 H8 N2 -","- Be8 F32 H64 N16 -","8","2","BK0051","Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F.","Neutron structures of ammonium tetrafluoroberyllate","Acta Crystallographica Section B","1999","55","1","17","23","10.1107/S010876819800737X","","neutron","1.0462","neutron","","0.0342","0.0342","","0.0405","0.0405","","","","1.0436","1.0436","1.0436","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:22",""
"2002928","7.4544","0.0004","6.0826","0.0006","20.0946","0.0012","90","","90","","90","","911.13","0.12","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C12 H12 -","- C12 H12 -","- C48 H48 -","4","0.5","BK0054","Kaduk, J.A.; Golab, J.T.","Structures of 2,6-disubstituted naphthalenes","Acta Crystallographica Section B","1999","55","1","85","94","10.1107/S0108768198008945","","","1.5406","Cu","","","","","","","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2002929","3.7061","0.0008","7.4688","0.0014","8.535","0.002","86.62","0.02","85.49","0.02","87.99","0.02","235","0.09","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H8 O4 -","- C12 H8 O4 -","- C12 H8 O4 -","1","0.5","BK0054","Kaduk, J.A.; Golab, J.T.","Structures of 2,6-disubstituted naphthalenes","Acta Crystallographica Section B","1999","55","1","85","94","10.1107/S0108768198008945","","","1.5406","Cu","","","","","","","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2002930","13.41931","0.00014","6.14869","0.00005","7.15257","0.00005","90","","100.4","0.001","90","","580.471","0.009","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O4 -","- C14 H12 O4 -","- C28 H24 O8 -","2","0.5","BK0054","Kaduk, J.A.; Golab, J.T.","Structures of 2,6-disubstituted naphthalenes","Acta Crystallographica Section B","1999","55","1","85","94","10.1107/S0108768198008945","","","1.15023","synchrotron","","","","","","","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2002932","11.397","0.002","8.871","0.002","7.222","0.004","90","","95.12","0.03","90","","727.3","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,6-dichlorobenzfurazan-1-oxide","","- C6 H2 Cl2 N2 O2 -","- C6 H2 Cl2 N2 O2 -","- C24 H8 Cl8 N8 O8 -","4","0.5","BK0061","Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.","Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide","Acta Crystallographica Section B","1999","55","4","530","542","10.1107/S0108768199000348","","","0.71073","MoKα","","0.034","0.029","","0.076","0.073","","","","1.127","1.144","1.144","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2002933","11.554","0.002","8.926","0.002","7.31","0.006","90","","96.1","0.04","90","","749.6","0.7","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,6-dichlorobenzfurazan-1-oxide","","- C6 H2 Cl2 N2 O2 -","- C6 H2 Cl2 N2 O2 -","- C24 H8 Cl8 N8 O8 -","4","0.5","BK0061","Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.","Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide","Acta Crystallographica Section B","1999","55","4","530","542","10.1107/S0108768199000348","","","0.71073","MoKα","","0.042","0.035","","0.085","0.08","","","","1.093","1.127","1.127","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2002934","7.0679","0.0006","11.7502","0.0009","9.0114","0.0007","90","","98.563","0.001","90","","740.05","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,6-dichlorobenzfurazan-1-oxide","","- C6 H2 Cl2 N2 O2 -","- C6 H2 Cl2 N2 O2 -","- C24 H8 Cl8 N8 O8 -","4","1","BK0061","Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.","Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide","Acta Crystallographica Section B","1999","55","4","530","542","10.1107/S0108768199000348","","","0.71073","MoKα","","0.043","0.038","","0.11","0.106","","","","1.044","1.093","1.093","","","","","has coordinates,has disorder,has Fobs","301791","2025-08-18","23:15:22",""
"2002935","7.1739","0.0002","11.8351","0.0002","9.0639","0.0001","90","","98.35","0.001","90","","761.4","0.03","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,6-dichlorobenzfurazan-1.oxide","","- C6 H2 Cl2 N2 O2 -","- C6 H2 Cl2 N2 O2 -","- C24 H8 Cl8 N8 O8 -","4","1","BK0061","Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.","Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide","Acta Crystallographica Section B","1999","55","4","530","542","10.1107/S0108768199000348","","","0.71073","MoKα","","0.041","0.036","","0.107","0.104","","","","1.731","1.844","1.844","","","","","has coordinates,has disorder,has Fobs","301791","2025-08-18","23:15:22",""
"2002936","7.2233","0.0001","9.0549","0.0003","11.57","0.0004","90","","95.315","0.002","90","","753.5","0.04","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,6-dichlorobenzfurazan-1-oxide","","- C6 H2 Cl2 N2 O2 -","- C6 H2 Cl2 N2 O2 -","- C24 H8 Cl8 N8 O8 -","4","0.5","BK0061","Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.","Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide","Acta Crystallographica Section B","1999","55","4","530","542","10.1107/S0108768199000348","","","0.71073","MoKα","","0.03","0.027","","0.073","0.071","","","","1.116","1.151","1.151","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2002937","7.293","0.005","9.061","0.006","11.618","0.002","90","","96.12","0.03","90","","763.4","0.7","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,6-dichlorobenzfurazan-1-oxide'","","- C6 H2 Cl2 N2 O2 -","- C6 H2 Cl2 N2 O2 -","- C24 H8 Cl8 N8 O8 -","4","0.5","BK0061","Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.","Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide","Acta Crystallographica Section B","1999","55","4","530","542","10.1107/S0108768199000348","","","0.71073","MoKα","","0.069","0.038","","0.136","0.099","","","","0.825","0.806","0.806","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2002938","11.987","0.004","8.994","0.003","7.423","0.004","90","","92.91","0.04","90","","799.2","0.6","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4,5-dichlorophthalic anhydride","","","- C8 H2 Cl2 O3 -","- C8 H2 Cl2 O3 -","- C32 H8 Cl8 O12 -","4","0.5","BK0061","Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.","Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide","Acta Crystallographica Section B","1999","55","4","530","542","10.1107/S0108768199000348","","","0.71073","MoKα","","0.033","0.029","","0.085","0.082","","","","1.063","1.088","1.088","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:22",""
"2002939","12.923","0.003","9.209","0.002","7.628","0.0015","105.08","0.03","99.2","0.03","81.29","0.03","859.5","0.4","297","2","297","2","","","","","","","","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","4,5-dibromophthalic anhydride","","","- C8 H2 Br2 O3 -","- C8 H2 Br2 O3 -","- C32 H8 Br8 O12 -","4","","BK0061","Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.","Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide","Acta Crystallographica Section B","1999","55","4","530","542","10.1107/S0108768199000348","","","0.71073","MoKα","","0.099","0.05","","0.139","0.117","","","","1.028","1.12","1.12","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2002940","10.76","0.001","7.74","0.001","27.145","0.003","90","","90","","90","","2260.7","0.4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Potassium 3-benzoylthiophene-2-carboxylate","","- C12 H7 K O3 S -","- C12 H7 K O3 S -","- C96 H56 K8 O24 S8 -","8","1","BK0064","Craven, B. M.; Ballas, F. L.","Thermal vibrations in potassium 3-benzoyl-2-thiophenecarboxylate","Acta Crystallographica Section B","1999","55","3","375","379","10.1107/S0108768198012907","","","1.5418","CuKα","","0.034","0.032","","0.037","0.036","","","","2.486","2.561","2.561","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2002942","7.85758","0.00003","7.86793","0.00003","7.8765","0.0003","90","","90","","90","","486.948","0.019","813","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Na Nb O3 -","- Na Nb O3 -","- Na8 Nb8 O24 -","8","0.5","BM0015","Darlington, C. N. W.; Knight, K. S.","High-temperature phases of NaNbO~3~ and NaTaO~3~","Acta Crystallographica Section B","1999","55","1","24","30","10.1107/S010876819800963X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","198388","2020-10-21","18:00:00",""
"2002943","7.83729","0.00004","7.84887","0.00004","7.85728","0.00004","90","","90","","90","","483.332","0.004","803","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Na O3 Ta -","- Na O3 Ta -","- Na8 O24 Ta8 -","8","0.5","BM0015","Darlington, C. N. W.; Knight, K. S.","High-temperature phases of NaNbO~3~ and NaTaO~3~","Acta Crystallographica Section B","1999","55","1","24","30","10.1107/S010876819800963X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","198486","2020-10-21","18:00:00",""
"2002944","5.56896","0.00002","5.56896","0.00002","3.94408","0.00002","90","","90","","90","","122.319","0.0009","888","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","","","","","- Na Nb O3 -","- Na Nb O3 -","- Na2 Nb2 O6 -","2","0.125","BM0015","Darlington, C. N. W.; Knight, K. S.","High-temperature phases of NaNbO~3~ and NaTaO~3~","Acta Crystallographica Section B","1999","55","1","24","30","10.1107/S010876819800963X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002945","5.55465","0.00002","5.55465","0.00002","3.93426","0.00002","90","","90","","90","","121.388","0.0009","878","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","","","","","- Na O3 Ta -","- Na O3 Ta -","- Na2 O6 Ta2 -","2","0.125","BM0015","Darlington, C. N. W.; Knight, K. S.","High-temperature phases of NaNbO~3~ and NaTaO~3~","Acta Crystallographica Section B","1999","55","1","24","30","10.1107/S010876819800963X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002946","14.417","0.001","12.02","0.001","12.042","0.001","119.99","0.007","105.991","0.007","87.224","0.01","1727.4","0.3","200","","200","","","","","","","","","3","P -1","-P 1","2","","4,5-dimethylpyrazole","","- C5 H8 N2 -","- C5 H8 N2 -","- C60 H96 N24 -","12","6","BM0017","Infantes, L.; Foces-Foces, C.; Elguero,J.","3(5),4-Dimethyl- and 3,4,5-trimethylpyrazole at 200K. X-ray crystallography and quantum-chemical analysis","Acta Crystallographica Section B","1999","55","3","441","447","10.1107/S0108768198014013","","","1.5418","CuKα","","0.087","0.075","","0.105","0.092","","","","0.856","0.848","0.848","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2002947","14.1911","0.0009","8.252","0.0006","16.7382","0.0019","90","","90.696","0.009","90","","1960","0.3","200","","200","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","3,4,5-trimethylpyrazole","","- C6 H10 N2 -","- C6 H12 N2 -","- C72 H144 N24 -","12","1.5","BM0017","Infantes, L.; Foces-Foces, C.; Elguero,J.","3(5),4-Dimethyl- and 3,4,5-trimethylpyrazole at 200K. X-ray crystallography and quantum-chemical analysis","Acta Crystallographica Section B","1999","55","3","441","447","10.1107/S0108768198014013","","","1.5418","CuKα","","0.059","0.048","","0.063","0.054","","","","0.913","0.887","0.887","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2002948","9.179989","","9.179989","","9.179989","","90","","90","","90","","773.6","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","","","","","- O8 W2 Zr -","- O8 W2 Zr -","- O32 W8 Zr4 -","4","0.333333","","Evans, J. S. O.; David, W. I. F.; Sleight, A. W.","Structural investigation of the negative-thermal-expansion material ZrW~2~O~8~","Acta Crystallographica, Section B","1999","55","3","333","340","10.1107/S0108768198016966","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","188604","2020-10-21","18:00:00",""
"2002949","10.464","0.004","10.464","","15.056","0.004","90","","90","","120","","1427.7","0.7","294.2","0.2","294","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- Co0.2 H2 Na O5 P Zn0.8 -","- Na O5 P Zn -","- Na12 O60 P12 Zn12 -","12","1","BM0019","Madeleine Helliwell","Determination of the site of incorporation of cobalt in CoZnPO-CZP by multiple-wavelength anomalous-dispersion crystallography","Acta Crystallographica Section B","1999","55","3","327","332","10.1107/S0108768198014414","","","1.5418","CuKα","","0.0607","0.0513","","","","0.1252","","","","","","1.081","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2002953","9.0971","0.0006","9.0971","0.0006","9.0971","0.0006","90","","90","","90","","752.85","0.09","295","","295","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Co1.26 Fe2.74 La0.743 Sb12 -","- Co1.26 Fe2.74 La0.743 Sb12 -","- Co2.52 Fe5.48 La1.486 Sb24 -","2","0.0416667","BR0074","Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle","Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior","Acta Crystallographica Section B","1999","55","3","341","347","10.1107/S0108768198018345","","neutron","0.8387","neutron","","","0.045","","","0.035","","","","1.31","1.735","1.735","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002954","9.0854","0.0011","9.0854","0.0011","9.0854","0.0011","90","","90","","90","","749.95","0.16","200","","200","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Co1.26 Fe2.74 La0.743 Sb12 -","- Co1.256 Fe2.744 La0.743 Sb12 -","- Co2.512 Fe5.488 La1.486 Sb24 -","2","0.0416667","BR0074","Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle","Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior","Acta Crystallographica Section B","1999","55","3","341","347","10.1107/S0108768198018345","","neutron","0.8387","neutron","","","0.048","","","0.036","","","","1.34","1.805","1.805","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002955","9.0857","0.0011","9.0857","0.0011","9.0857","0.0011","90","","90","","90","","750.02","0.16","150","","150","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Co1.26 Fe2.74 La0.743 Sb12 -","- Co1.256 Fe2.744 La0.743 Sb12 -","- Co2.512 Fe5.488 La1.486 Sb24 -","2","0.0416667","BR0074","Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle","Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior","Acta Crystallographica Section B","1999","55","3","341","347","10.1107/S0108768198018345","","neutron","0.8387","neutron","","","0.045","","","0.036","","","","1.35","1.814","1.814","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002956","9.0813","0.0005","9.0813","0.0005","9.0813","0.0005","90","","90","","90","","748.93","0.07","125","","125","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Co1.26 Fe2.74 La0.743 Sb12 -","- Co1.256 Fe2.744 La0.743 Sb12 -","- Co2.512 Fe5.488 La1.486 Sb24 -","2","0.0416667","BR0074","Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle","Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior","Acta Crystallographica Section B","1999","55","3","341","347","10.1107/S0108768198018345","","neutron","0.8387","neutron","","","0.062","","","0.043","","","","1.26","1.578","1.578","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002957","9.0809","0.0004","9.0809","0.0004","9.0809","0.0004","90","","90","","90","","748.84","0.06","100","","100","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Co1.26 Fe2.74 La0.743 Sb12 -","- Co1.256 Fe2.744 La0.743 Sb12 -","- Co2.512 Fe5.488 La1.486 Sb24 -","2","0.0416667","BR0074","Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle","Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior","Acta Crystallographica Section B","1999","55","3","341","347","10.1107/S0108768198018345","","neutron","0.8387","neutron","","","0.041","","","0.031","","","","1.23","1.518","1.518","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002958","9.0814","0.0005","9.0814","0.0005","9.0814","0.0005","90","","90","","90","","748.96","0.07","75","","75","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Co1.26 Fe2.74 La0.743 Sb12 -","- Co1.256 Fe2.744 La0.743 Sb12 -","- Co2.512 Fe5.488 La1.486 Sb24 -","2","0.0416667","BR0074","Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle","Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior","Acta Crystallographica Section B","1999","55","3","341","347","10.1107/S0108768198018345","","neutron","0.8387","neutron","","","0.042","","","0.034","","","","1.36","1.846","1.846","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002959","9.0839","0.0006","9.0839","0.0006","9.0839","0.0006","90","","90","","90","","749.58","0.09","50","","50","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Co1.26 Fe2.74 La0.743 Sb12 -","- Co1.256 Fe2.744 La0.743 Sb12 -","- Co2.512 Fe5.488 La1.486 Sb24 -","2","0.0416667","BR0074","Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle","Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior","Acta Crystallographica Section B","1999","55","3","341","347","10.1107/S0108768198018345","","neutron","0.8387","neutron","","","0.039","","","0.031","","","","1.24","1.549","1.549","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002960","9.0771","0.0004","9.0771","0.0004","9.0771","0.0004","90","","90","","90","","747.9","0.06","25","","25","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Co1.26 Fe2.74 La0.743 Sb12 -","- Co1.256 Fe2.744 La0.743 Sb12 -","- Co2.512 Fe5.488 La1.486 Sb24 -","2","0.0416667","BR0074","Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle","Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior","Acta Crystallographica Section B","1999","55","3","341","347","10.1107/S0108768198018345","","neutron","0.8387","neutron","","","0.049","","","0.036","","","","1.39","1.932","1.932","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002961","9.0762","0.0012","9.0762","0.0012","9.0762","0.0012","90","","90","","90","","747.67","0.17","10","","10","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Co1.26 Fe2.74 La0.743 Sb12 -","- Co1.256 Fe2.744 La0.743 Sb12 -","- Co2.512 Fe5.488 La1.486 Sb24 -","2","0.0416667","BR0074","Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle","Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior","Acta Crystallographica Section B","1999","55","3","341","347","10.1107/S0108768198018345","","neutron","0.8387","neutron","","","0.037","","","0.029","","","","1.16","1.343","1.343","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002962","10.4232","0.0001","17.6675","0.0002","7.5363","0.0001","90","","90","","90","","1387.82","0.03","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","aminoguanidinium(2+) hexafluorosilicate","","- C H8 F6 N4 Si -","- C H8 F6 N4 Si -","- C8 H64 F48 N32 Si8 -","8","1","BR0080","Ross II, Charles R.; Bauer, M.R.; Nielson, R.M; Abrahams, S.C.","Anhydrous ammonioguanidinium(2+) and dihydrated bis[aminoguanidinium(1+)] hexafluorosilicates: new co-products of preparing ferroelectric ammonioguanidinium(2+) hexafluorozirconate","Acta Crystallographica Section B","1999","55","2","246","254","10.1107/S0108768198013044","","","1.5418","CuKα","","0.0268","0.0255","","","","0.0653","","","","","","1.146","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2002963","6.5124","0.0001","6.6952","0.0002","8.0215","0.0003","70.723","0.002","82.745","0.002","89.243","0.003","327.348","0.017","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","diaminoguanidinium hexafluorosilicate dihydrate","","- C2 H18 F6 N8 O2 Si -","- C2 H18 F6 N8 O2 Si -","- C2 H18 F6 N8 O2 Si -","1","0.5","BR0080","Ross II, Charles R.; Bauer, M.R.; Nielson, R.M; Abrahams, S.C.","Anhydrous ammonioguanidinium(2+) and dihydrated bis[aminoguanidinium(1+)] hexafluorosilicates: new co-products of preparing ferroelectric ammonioguanidinium(2+) hexafluorozirconate","Acta Crystallographica Section B","1999","55","2","246","254","10.1107/S0108768198013044","","","1.5418","CuKα","","0.0305","0.0301","","","","0.0745","","","","","","1.065","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2002964","19.769","0.009","7.685","0.002","8.858","0.003","90","","100.6","0.04","90","","1322.8","1.4","15","0.5","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- Cs3 H3.5 O12 P0.5 S2.5 -","- Cs3 H5 O12 P S2 -","- Cs12 H20 O48 P4 S8 -","4","0.5","","Haile, S. M.; Klooster, W. T.","Single-crystal neutron diffraction study of β-Cs~3~(HSO~4~)~2~[H~2-x~(S~x~P~1-x~)O~4~] (x ≃ 0.5) at 15 K","Acta Crystallographica, Section B: Structural Science","1999","55","3","285","296","10.1107/s0108768198013573","","neutron","1.0462","Neutron","","0.111","","","0.084","","0.038","","","1.3","","","","","","","has coordinates","297159","2025-01-07","06:57:16",""
"2002965","19.769","0.009","7.685","0.002","8.858","0.003","90","","100.6","0.04","90","","1322.8","1.4","15","0.5","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- Cs3 H3.5 O12 P0.5 S2.5 -","- Cs3 H3.5 O12 P S2 -","- Cs12 H14 O48 P4 S8 -","4","0.5","","Haile, S. M.; Klooster, W. T.","Single-crystal neutron diffraction study of β-Cs~3~(HSO~4~)~2~[H~2-x~(S~x~P~1-x~)O~4~] (x ≃ 0.5) at 15 K","Acta Crystallographica, Section B: Structural Science","1999","55","3","285","296","10.1107/s0108768198013573","","neutron","1.0462","Neutron","","0.108","","","0.081","","0.036","","","1.25","","","","","","","has coordinates","297159","2025-01-07","06:57:19",""
"2002966","4.547","0.002","5.947","0.003","14.731","0.009","90","","90","","90","","398.3","0.4","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-trifluoromethyl formamide","","- C2 H2 F3 N O -","- C2 H2 F3 N O -","- C8 H8 F12 N4 O4 -","4","1","CA0001","Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D.","Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide","Acta Crystallographica Section B","1999","55","1","70","77","10.1107/S0108768198006570","","","0.71068","MoKα","","0.123","0.0696","","0.2259","0.1708","","","","1.105","1.105","1.105","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2002967","4.807","0.001","16.707","0.003","6.708","0.001","90","","109.9","0.01","90","","506.55","0.16","141","1","141","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H4 F3 N O -","- C3 H4 F3 N O -","- C12 H16 F12 N4 O4 -","4","1","CA0001","Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D.","Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide","Acta Crystallographica Section B","1999","55","1","70","77","10.1107/S0108768198006570","","","0.71068","MoKα","","0.0783","0.0508","","0.1402","0.1619","","","","1.085","1.085","1.085","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2002968","5.668","0.002","9.266","0.003","8.626","0.002","90","","90","","90","","453","0.2","163","1","163","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2,2-trifluoroethyl isocyanide","","- C3 H2 F3 N -","- C3 H2 F3 N -","- C12 H8 F12 N4 -","4","1","CA0001","Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D.","Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide","Acta Crystallographica Section B","1999","55","1","70","77","10.1107/S0108768198006570","","","0.71068","MoKα","","0.0627","0.0329","","0.0976","0.0839","","","","1.008","1.044","1.044","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2002971","8.3506","0.0009","18.0102","0.0017","9.636","0.0014","90","","110.869","0.008","90","","1354.1","0.3","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","4,4'-Sulfonyldiphenol-pyrazine (2/1)","","- C28 H24 N2 O8 S2 -","- C28 H24 N2 O8 S2 -","- C56 H48 N4 O16 S4 -","2","0.5","CF0004","Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.","Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol–4,4'-trimethylenedipiperidine–water (2/2/1)","Acta Crystallographica, Section B: Structural Science","1999","55","4","573","590","10.1107/S0108768199002645","","","0.7107","MoKα","","0.0489","0.0356","","","","0.0966","","","","","","1.035","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:22",""
"2002972","7.5765","0.001","23.9154","0.001","11.225","0.002","90","","105.921","0.01","90","","1955.9","0.5","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4'-Sulfonyldiphenol-4,4'-bipyridyl (1/1)","","- C22 H18 N2 O4 S -","- C22 H18 N2 O4 S -","- C88 H72 N8 O16 S4 -","4","1","CF0004","Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.","Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol–4,4'-trimethylenedipiperidine–water (2/2/1)","Acta Crystallographica, Section B: Structural Science","1999","55","4","573","590","10.1107/S0108768199002645","","","0.7107","MoKα","","0.0667","0.0392","","","","0.0984","","","","","","1.053","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:22",""
"2002973","7.3981","0.0008","12.7472","0.0015","13.0006","0.0013","115.037","0.008","102.398","0.01","94.239","0.01","1065.9","0.2","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","4,4'-Sulphonyldiphenol - trans-1,2-bis(4-pyridyl)ethylene (1/1)","","- C24 H20 N2 O4 S -","- C24 H20 N2 O4 S -","- C48 H40 N4 O8 S2 -","2","1","CF0004","Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.","Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol–4,4'-trimethylenedipiperidine–water (2/2/1)","Acta Crystallographica, Section B: Structural Science","1999","55","4","573","590","10.1107/S0108768199002645","","","0.7107","MoKα","","0.0509","0.0357","","","","0.1002","","","","","","0.98","","","","has coordinates,has disorder,has Fobs","301791","2025-08-18","23:15:22",""
"2002974","7.7599","0.0009","12.4866","0.0016","12.914","0.002","114.003","0.014","104.694","0.014","93.69","0.013","1085.6","0.3","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","4,4'Sulfonyldiphenol–1,2-bis(4-pyridyl)ethane (1/1)","","- C24 H22 N2 O4 S -","- C24 H22 N2 O4 S -","- C48 H44 N4 O8 S2 -","2","1","CF0004","Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.","Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol–4,4'-trimethylenedipiperidine–water (2/2/1)","Acta Crystallographica, Section B: Structural Science","1999","55","4","573","590","10.1107/S0108768199002645","","","0.7107","MoKα","","0.0558","0.0418","","","","0.1225","","","","","","1.072","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:22",""
"2002975","10.0292","0.001","15.579","0.002","15.0208","0.001","90","","105.47","0.001","90","","2261.9","0.4","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-Sulfonyldiphenol–4,4'-trimethylenedipyridine (1/1)","","- C25 H24 N2 O4 S -","- C25 H24 N2 O4 S -","- C100 H96 N8 O16 S4 -","4","1","CF0004","Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.","Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol–4,4'-trimethylenedipiperidine–water (2/2/1)","Acta Crystallographica, Section B: Structural Science","1999","55","4","573","590","10.1107/S0108768199002645","","","0.7107","MoKα","","0.0692","0.0405","","","","0.1151","","","","","","1.039","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:22",""
"2002976","12.2739","0.001","19.454","0.002","20.6251","0.0013","90","","90","","90","","4924.8","0.7","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4,4'-Sulfonyldiphenol-4,4'-trimethylenedipiperidine-water (2/2/1)","","- C25 H37 N2 O4.5 S -","- C25 H37 N2 O4.5 S -","- C200 H296 N16 O36 S8 -","8","2","CF0004","Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.","Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol–4,4'-trimethylenedipiperidine–water (2/2/1)","Acta Crystallographica, Section B: Structural Science","1999","55","4","573","590","10.1107/S0108768199002645","","","0.7107","MoKα","","0.0769","0.0416","","","","0.1031","","","","","","1.031","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2002977","13.0288","0.0017","12.1865","0.001","12.0778","0.0012","90","","105.199","0.009","90","","1850.6","0.3","294","1","294","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-Biphenol–1,10-phenanthroline (1/1)","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C96 H72 N8 O8 -","4","0.5","CF0005","Ferguson, George; Glidewell, Christopher; Lavender, Emma S.","Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π–π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane–1,10-phenanthroline–methanol (1/1/1)","Acta Crystallographica Section B","1999","55","4","591","600","10.1107/S0108768199002657","","","0.7107","MolybdenumKα","","0.0878","0.0334","","","","0.0989","","","","","","0.976","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:22",""
"2002978","7.7342","0.0005","13.3624","0.0014","14.9843","0.0011","110.514","0.006","95.195","0.006","95.895","0.007","1429.3","0.2","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","4,4'-Thiodiphenol–1,10-phenanthroline (1/2)","","- C36 H26 N4 O2 S -","- C36 H26 N4 O2 S -","- C72 H52 N8 O4 S2 -","2","1","CF0005","Ferguson, George; Glidewell, Christopher; Lavender, Emma S.","Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π–π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane–1,10-phenanthroline–methanol (1/1/1)","Acta Crystallographica Section B","1999","55","4","591","600","10.1107/S0108768199002657","","","0.7107","MolybdenumKα","","0.0648","0.0351","","","","0.1004","","","","","","1.035","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:22",""
"2002979","15.8692","0.0016","24.3728","0.0017","13.0952","0.0009","90","","102.362","0.008","90","","4947.5","0.7","294","1","294","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,4'-Sulfonyldiphenol–1,10-phenanthroline (2/3)","","- C60 H44 N6 O8 S2 -","- C60 H44 N6 O8 S2 -","- C240 H176 N24 O32 S8 -","4","0.5","CF0005","Ferguson, George; Glidewell, Christopher; Lavender, Emma S.","Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π–π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane–1,10-phenanthroline–methanol (1/1/1)","Acta Crystallographica Section B","1999","55","4","591","600","10.1107/S0108768199002657","","","0.7107","MolybdenumKα","","0.0638","0.0408","","","","0.104","","","","","","1.034","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:22",""
"2002980","22.811","0.003","22.029","0.003","10.7965","0.001","90","","90","","90","","5425.3","1.1","294","1","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1,1-Tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1)","","- C33 H30 N2 O4 -","- C33 H30 N2 O4 -","- C264 H240 N16 O32 -","8","1","CF0005","Ferguson, George; Glidewell, Christopher; Lavender, Emma S.","Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1)","Acta Crystallographica Section B","1999","55","4","591","600","10.1107/S0108768199002657","","","0.7107","MolybdenumKα","","0.1305","0.0388","","","","0.1075","","","","","","0.874","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002981","7.301","0.001","7.658","0.002","13.855","0.003","90","","90","","90","","774.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R,R)-Tartaric Acid Mono (N-Methylamide) Monohydrate","(R,R)-Tartaric Acid Mono (N-Methylamide) Monohydrate","","- C5 H11 N O6 -","- C5 H11 N O6 -","- C20 H44 N4 O24 -","4","1","CF0006","Rychlewska, Urszula; Szarecka, Agnieszka; Rychlewski, Jacek; Motała, Rafał","A mediated hydrogen bond in an α-hydroxycarboxyl group: X-ray structure of (<i>R</i>,<i>R</i>)-<i>N</i>-methyltartramic acid monohydrate and an <i>ab initio</i> study of model systems","Acta Crystallographica Section B","1999","55","4","617","625","10.1107/S0108768199005091","","","0.71073","MoKα","","0.0587","0.031","","0.0839","0.0737","","","","1.065","1.063","1.063","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2002984","7.3091","0.0006","7.3091","0.0006","7.3091","0.0006","90","0.007","90","0.007","90","0.007","390.47","0.06","293","","293","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","cubic_Laves","","","- Fe2 Ho -","- Fe2 Ho -","- Fe16 Ho8 -","8","0.0416667","CR0535","Streltsov V. A.","Synchrotron X-ray analysis of the electron density in HoFe~2~","Acta Crystallographica Section B","1999","55","3","321","326","10.1107/S0108768198016759","","","0.75","xray_vertical_wiggler","","0.00956","0.00956","","0.01098","0.01098","","","","1.403","1.403","1.403","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002986","23.048","0.007","34.383","0.006","11.992","0.006","90","","90","","90","","9503","6","175","","175","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","D20P","1:1 complex of (R)-2,3:4,5-bis[1,2-(3-phenylnaphtho)]-1,6,9,12,15,18-hexaoxacycloeicosa-2,4- diene with phenylglycinium methyl ester perchlorate","","- C51 H52 Cl N O13 -","- C51 H52 Cl N O13 -","- C408 H416 Cl8 N8 O104 -","8","2","FR0005","Cram, Donald J.; de Graaff, R. A. G.; Knobler, Carolyn B.; Lingenfelter, David S.; Maverick, Emily F.; Trueblood, Kenneth N.","Chiral recognition between host and guest: a binaphthyl-18-crown-6 host with <small>D</small>-phenylglycinium methyl ester perchlorate guest. A difficult structure solved with <i>CRUNCH</i>","Acta Crystallographica Section B","1999","55","3","432","440","10.1107/S0108768198013524","","","1.5418","CuKα","","0.0896","0.0793","","0.2247","0.2112","","","","1.003","1.01","1.01","","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2002990","9.369","0.002","5.563","0.001","13.626","0.003","90","","92.36","0.03","90","","709.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-methyl-5-nitroaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","HA0171","Ellena, Javier; Goeta, Andrés E.; Howard, Judith A. K.; Wilson, Chick C.; Autino, Juan C.; Punte, Graciela","Experimental evidence for the amino-group non-planarity in nitroanilines: neutron diffraction study of 2-methyl-5-nitroaniline at 100 K","Acta Crystallographica, Section B: Structural Science","1999","55","2","209","215","10.1107/S0108768198010349","","neutron","","neutron","","0.0669","0.0669","","0.1544","0.1544","","","","1.137","1.137","1.137","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2002991","5.289","0.0001","12.6877","0.0001","11.4872","0.0001","90","","95.8136","0.0005","90","","766.887","0.017","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-leucyl-L-valine methanol (1:1)","","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","- C24 H52 N4 O8 -","2","1","HA0173","Görbitz, Carl Henrik; Torgersen, Eirin","Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of <small>L</small>-leucyl-<small>L</small>-valine","Acta Crystallographica, Section B: Structural Science","1999","55","1","104","113","10.1107/S0108768198010192","","","0.71073","MoKα","","0.1003","0.0656","","0.179","0.1584","","","","0.985","1.064","1.064","","","","","has coordinates,has disorder,has Fobs","301791","2025-08-18","23:15:22",""
"2002992","11.0112","0.0001","23.5186","0.0001","12.2636","0.0001","90","","90.0121","0.0008","90","","3175.88","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-leucyl-L-valine ethanol (1:1)","","- C13 H28 N2 O4 -","- C13 H28 N2 O4 -","- C104 H224 N16 O32 -","8","4","HA0173","Görbitz, Carl Henrik; Torgersen, Eirin","Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of <small>L</small>-leucyl-<small>L</small>-valine","Acta Crystallographica, Section B: Structural Science","1999","55","1","104","113","10.1107/S0108768198010192","","","0.71073","MoKα","","0.1004","0.0645","","0.1441","0.1249","","","","1.072","1.088","1.088","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:22",""
"2002993","5.1709","0.0001","14.6136","0.0002","22.423","0.0004","90","","90","","90","","1694.4","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-leucyl-L-valine 2-propanol (1:1)","","- C14 H30 N2 O4 -","- C14 H30 N2 O4 -","- C56 H120 N8 O16 -","4","1","HA0173","Görbitz, Carl Henrik; Torgersen, Eirin","Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of <small>L</small>-leucyl-<small>L</small>-valine","Acta Crystallographica, Section B: Structural Science","1999","55","1","104","113","10.1107/S0108768198010192","","","0.71073","MoKα","","0.0796","0.0559","","0.1358","0.1225","","","","1.106","1.14","1.14","","","","","has coordinates,has disorder,has Fobs","301791","2025-08-18","23:15:22",""
"2002994","6.585","","9.038","","15.205","","94.9","","95.74","","110","","839.138","","200","2","200","2","","","","","","","","4","P -1","-P 1","2","beta-co-(BEDT-TTF)2I3","beta-co-(bis(ethylenedithio)tetrathiafulvalene)2 triiodide","","- C10 H8 I1.5 S8 -","- C10 H8 I1.479 S8 -","- C20 H16 I2.958 S16 -","2","1","HA0183","Madsen, Dennis; Burghammer, Manfred; Fiedler, Stefan; Muller, Harald","The single-crystal structure of the organic superconductor β~CO~-(BEDT-TTF)~2~I~3~ from a powder grain","Acta Crystallographica Section B","1999","55","4","601","606","10.1107/S0108768199003468","","","0.6887","Synchrotron","","0.0462","0.0371","","","","0.0812","","","","","","1.076","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2003000","8.075","0.002","8.871","0.002","11.606","0.002","72.69","0.03","80.07","0.03","71.84","0.03","751.3","0.3","153","2","153","2","","","","","","","","3","P 1","P 1","1","Emycin_E","","","- C19 H18 O4 -","- C19 H18 O4 -","- C38 H36 O8 -","2","2","JZ0006","Walker, Martina; Pohl, Ehmke; Herbst-Irmer, Regine; Gerlitz, Martin; Rohr, Jürgen; Sheldrick, George M.","Absolute configurations of Emycin D, E and F; mimicry of centrosymmetric space groups by mixtures of chiral stereoisomers","Acta Crystallographica Section B","1999","55","4","607","616","10.1107/S0108768199003948","","","0.71073","MoKα","","0.0779","0.0526","","","","0.1178","","","","","","1.033","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003001","7.796","0.002","7.914","0.002","22.243","0.002","90","","92.12","0.02","90","","1371.4","0.5","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","Di-o-brominebenzoyl-Emycin_F","","","- C33 H24 Br2 O6 -","- C33 H24 Br2 O6 -","- C66 H48 Br4 O12 -","2","1","JZ0006","Walker, Martina; Pohl, Ehmke; Herbst-Irmer, Regine; Gerlitz, Martin; Rohr, Jürgen; Sheldrick, George M.","Absolute configurations of Emycin D, E and F; mimicry of centrosymmetric space groups by mixtures of chiral stereoisomers","Acta Crystallographica Section B","1999","55","4","607","616","10.1107/S0108768199003948","","","0.71073","MoKα","","0.0552","0.0418","","","","0.0966","","","","","","1.029","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003002","8.279","0.002","11.539","0.003","11.962","0.003","101.32","0.02","110.25","0.02","92.76","0.02","1042.9","0.5","153","2","153","2","","","","","","","","4","P 1","P 1","1","O-brominebenzoyl-Emycin_D","","","- C26 H19 Br O5 -","- C26 H19 Br O5 -","- C52 H38 Br2 O10 -","2","2","JZ0006","Walker, Martina; Pohl, Ehmke; Herbst-Irmer, Regine; Gerlitz, Martin; Rohr, Jürgen; Sheldrick, George M.","Absolute configurations of Emycin D, E and F; mimicry of centrosymmetric space groups by mixtures of chiral stereoisomers","Acta Crystallographica Section B","1999","55","4","607","616","10.1107/S0108768199003948","","","0.71073","MoKα","","0.0334","0.0307","","","","0.0892","","","","","","1.298","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003008","10.386","0.001","10.386","0.001","11.742","0.002","90","","90","","90","","1266.6","0.4","","","9","1","","","","","","","","5","P 42 21 2","P 4n 2n","","","","","- C8 H24 P4 S8 Th -","- C8 H24 P4 S8 Th -","- C16 H48 P8 S16 Th2 -","2","0.25","","Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A.","Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures","Acta Crystallographica, Section B: Structural Science","1999","55","3","363","374","10.1107/s0108768198010398","","","0.5603","AgKα","","","","","","","","","","","","","","","","","has coordinates","249482","2020-10-21","18:00:00",""
"2003009","10.42","0.004","10.42","0.004","11.784","0.008","90","","90","","90","","1279","1","","","28","5","","","","","","","","5","P 42 21 2","P 4n 2n","","","","","- C8 H24 P4 S8 Th -","- C8 H24 P4 S8 Th -","- C16 H48 P8 S16 Th2 -","2","0.25","","Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A.","Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures","Acta Crystallographica, Section B: Structural Science","1999","55","3","363","374","10.1107/s0108768198010398","","","0.394","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","249482","2020-10-21","18:00:00",""
"2003010","10.42","0.004","10.42","0.004","11.784","0.008","90","","90","","90","","1279","1","","","28","5","","","","","","","","5","P 42 21 2","P 4n 2n","","","","","- C8 H24 P4 S8 Th -","- C8 H24 P4 S8 Th -","- C16 H48 P8 S16 Th2 -","2","0.25","","Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A.","Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures","Acta Crystallographica, Section B: Structural Science","1999","55","3","363","374","10.1107/s0108768198010398","","","0.394","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","249482","2020-10-21","18:00:00",""
"2003011","10.386","0.001","10.386","0.001","11.742","0.002","90","","90","","90","","1266.6","0.4","","","","","","","","","","","","5","P 42 21 2","P 4n 2n","","","","","- C8 H24 P4 S8 Th -","- C8 H24 P4 S8 Th -","- C16 H48 P8 S16 Th2 -","2","0.25","","Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A.","Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures","Acta Crystallographica, Section B: Structural Science","1999","55","3","363","374","10.1107/s0108768198010398","","","0.5603","AgKα","","","","","","","","","","","","","","","","","has coordinates","249482","2020-10-21","18:00:00",""
"2003012","12.646","0.001","12.646","0.001","3.9551","0.0002","90","","90","","90","","632.5","","790","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- K Nb5 O15 Pb2 -","- K Nb5 O15 Pb3.1 -","- K2 Nb10 O30 Pb6.2 -","2","0.125","","Sciau, Philippe; Calvarin, Gilbert; Ravez, Jean","Structures des phases paraélectrique et ferroélectrique de Pb~2~KNb~5~O~15~","Acta Crystallographica Section B","1999","55","4","459","466","10.1107/S0108768198017984","","","1.39217","CuKβ","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2003013","12.646","0.001","12.646","0.001","3.9551","0.0002","90","","90","","90","","632.5","","790","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- K Nb5 O15 Pb2 -","- K Nb5 O15 Pb3.1 -","- K2 Nb10 O30 Pb6.2 -","2","0.125","","Sciau, Philippe; Calvarin, Gilbert; Ravez, Jean","Structures des phases paraélectrique et ferroélectrique de Pb~2~KNb~5~O~15~","Acta Crystallographica Section B","1999","55","4","459","466","10.1107/S0108768198017984","","neutron","1.985","neutron","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2003014","17.779","0.002","18.015","0.002","3.9209","0.0004","90","","90","","90","","1255.82","","294","","","","","","","","","","","4","C m 2 m","C -2 -2","38","","","","- K Nb5 O15 Pb2 -","- K2 Nb5 O15 Pb4 -","- K8 Nb20 O60 Pb16 -","4","0.5","","Sciau, Philippe; Calvarin, Gilbert; Ravez, Jean","Structures des phases paraélectrique et ferroélectrique de Pb~2~KNb~5~O~15~","Acta Crystallographica Section B","1999","55","4","459","466","10.1107/S0108768198017984","","neutron","1.985","neutron","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2003015","17.756","0.001","18.019","0.001","3.9141","0.0002","90","","90","","90","","1252.3","","81","","","","","","","","","","","4","C m 2 m","C -2 -2","38","","","","- K Nb5 O15 Pb2 -","- K2 Nb5 O15 Pb4 -","- K8 Nb20 O60 Pb16 -","4","0.5","","Sciau, Philippe; Calvarin, Gilbert; Ravez, Jean","Structures des phases paraélectrique et ferroélectrique de Pb~2~KNb~5~O~15~","Acta Crystallographica Section B","1999","55","4","459","466","10.1107/S0108768198017984","","","1.39217","CuKβ","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2003030","4.0246","0.0005","15.5147","0.0005","9.1453","0.0009","90","","101.23","0.01","90","","560.1","0.09","295","3","295","3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5,10-dimethyl-4,9-diazapyrene","","- C16 H12 N2 -","- C16 H12 N2 -","- C32 H24 N4 -","2","0.5","NA0085","Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Piantanida, Ivo","Crystal and molecular structures of diazapyrenes and a study of π···π interactions","Acta Crystallographica Section B","1999","55","1","55","69","10.1107/S0108768198006557","","","1.54184","CuKα","","0.2272","0.0425","","0.4272","0.1281","","","","0.629","0.66","0.66","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003031","12.4968","0.0003","11.4751","0.0004","3.9615","0.0003","90","","96.8","0.01","90","","564.09","0.05","295","2","295","3","","","","","","","","3","C 1 2/m 1","-C 2y","12","","2,7-dimethyl-4,9-diazapyrene","","- C16 H12 N2 -","- C13 H11 N2 -","- C26 H22 N4 -","2","0.25","NA0085","Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Piantanida, Ivo","Crystal and molecular structures of diazapyrenes and a study of π···π interactions","Acta Crystallographica Section B","1999","55","1","55","69","10.1107/S0108768198006557","","","1.54184","CuKα","","0.061","0.0405","","0.138","0.1237","","","","0.896","1.055","1.055","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003033","5.4514","0.0008","11.945","0.001","40.482","0.003","84.662","0.007","86.97","0.01","79.77","0.01","2581.1","0.5","243","","243","","","","","","","","","3","P -1","-P 1","2","tripalmitin","1,2,3-trihexadecanoyl-glycerol","","- C51 H98 O6 -","- C51 H98 O6 -","- C102 H196 O12 -","2","1","NA0087","A.J. van Langevelde","Structure of mono-acid even-numbered β-triacylglycerols","Acta Crystallographica Section B","1999","55","1","114","122","10.1107/S0108768198009392","","","1.5418","CuKα","","0.153","0.078","","0.1","0.071","","","","0.695","0.803","0.803","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003051","3.877","0.004","15.6","0.01","9.375","0.006","90","","98.45","0.07","90","","560.9","0.8","150","","150","","","","","","","","","4","P 1 21/c 1","","","nicotinamide","","","- C6 H6 N2 O -","- C3 H3 N O0.5 -","- C12 H12 N4 O2 -","4","1","OA0014","Yoshihisa Miwa; Takashi Mizuno; Kazunori Tsuchida; Tooru Taga; Yutaka Iwata","Experimental charge density and electrostatic potential in nicotinamide","Acta Crystallographica Section B","1999","55","1","78","84","10.1107/S0108768198007848","","","0.71073","MoKα","","","0.054","","","0.056","","","","","0.29","0.29","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2003052","3.975","0.005","15.632","0.008","9.422","0.004","90","","99.03","0.07","90","","578.2","","295","","295","","","","","","","","","4","P 1 21/c 1","","","nicotinamide","","","- C6 H6 N2 O -","- C3 H3 N O0.5 -","- C12 H12 N4 O2 -","4","1","","Yoshihisa Miwa; Takashi Mizuno; Kazunori Tsuchida; Tooru Taga; Yutaka Iwata","Experimental Charge Density and Electrostatic Potential in Nicotinamide","Acta Crystallographica, Section B","1999","55","","78","84","","","","0.71073","MoKα","","","0.057","","","0.066","","","","","0.4","0.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003053","3.975","0.005","15.632","0.008","9.422","0.004","90","","99.03","0.07","90","","578.2","","295","","295","","","","","","","","","4","P 1 21/c 1","","","nicotinamide","","","- C6 H6 N2 O -","- C3 H3 N O0.5 -","- C12 H12 N4 O2 -","4","1","","Yoshihisa Miwa; Takashi Mizuno; Kazunori Tsuchida; Tooru Taga; Yutaka Iwata","Experimental Charge Density and Electrostatic Potential in Nicotinamide","Acta Crystallographica, Section B","1999","55","","78","84","","","neutron","1.005","neutron","","","0.06","","","0.068","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003054","10.125","0.003","11.133","0.002","15.014","0.002","73.78","0.01","71.68","0.01","68.87","0.02","1472","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H40 Co K N12 O4 -","- C18 H40 Co K N12 O4 -","- C36 H80 Co2 K2 N24 O8 -","2","1","OA0016","Steve C.F. Au-Yeung","Crystal structures of [18]aneN~6~H~2~K[Co(CN)~6~].4H~2~O, [16]aneN~4~H~2~K[Co(CN)~6~] and [12]aneN~4~H~3~[Co(CN)~6~].2H~2~O. Insight into the electrostatic and hydrogen-bonding interaction in self-assembling supercomplexes","Acta Crystallographica Section B","1999","55","3","389","395","10.1107/S0108768198014281","","","0.71073","MoKα","","0.0964","0.0592","","0.0745","0.0667","","","","","1.38","1.38","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003055","10.675","0.002","10.516","0.002","21.051","0.004","90","","91.89","0.03","90","","2361.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Co K N10 -","- C18 H30 Co K N10 -","- C72 H120 Co4 K4 N40 -","4","1","OA0016","Steve C.F. Au-Yeung","Crystal structures of [18]aneN~6~H~2~K[Co(CN)~6~].4H~2~O, [16]aneN~4~H~2~K[Co(CN)~6~] and [12]aneN~4~H~3~[Co(CN)~6~].2H~2~O. Insight into the electrostatic and hydrogen-bonding interaction in self-assembling supercomplexes","Acta Crystallographica Section B","1999","55","3","389","395","10.1107/S0108768198014281","","","0.71073","MoKα","","0.107","0.0489","","0.0625","0.0582","","","","","1.62","1.62","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003056","7.635","0.002","8.202","0.005","9.442","0.003","109.08","0.01","103.46","0.01","107.03","0.01","497.7","0.4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H27 Co N10 O2 -","- C14 H22 Co N10 O2 -","- C14 H22 Co N10 O2 -","1","1","OA0016","Steve C.F. Au-Yeung","Crystal structures of [18]aneN~6~H~2~K[Co(CN)~6~].4H~2~O, [16]aneN~4~H~2~K[Co(CN)~6~] and [12]aneN~4~H~3~[Co(CN)~6~].2H~2~O. Insight into the electrostatic and hydrogen-bonding interaction in self-assembling supercomplexes","Acta Crystallographica Section B","1999","55","3","389","395","10.1107/S0108768198014281","","","0.71073","MoKα","","0.0802","0.0614","","0.082","0.0741","","","","","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003057","8.507","0.003","10.613","0.004","12.457","0.003","80.05","0.03","71.38","0.02","76.69","0.03","1031.2","0.6","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 O6 P -","- C26 H24 O6 P -","- C52 H48 O12 P2 -","2","1","OA0018","Cho, Ching-Sheng; Dr Liau, Wen-Bin; Dr Chen, Leo-Wang","Single-crystal structure analysis of a novel aryl phosphinate diglycidyl ether","Acta Crystallographica Section B","1999","55","4","525","529","10.1107/S010876819900018X","","","0.71073","MolybdenumKα","","0.063","0.063","","0.057","0.057","","","","","1.48","1.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003058","20.0097","0.0013","15.249","0.002","10.4168","0.0018","90","","90","","90","","3178.5","0.7","296","2","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","F-TEMPO","4-(4-fluorophenyl)methyleneamino-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C16 H22 F N2 O -","- C16 H22 F N2 O -","- C128 H176 F8 N16 O8 -","8","1","OA0019","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Kan-nari, Eiji; Takada, Kiwamu; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds","Acta Crystallographica, Section B: Structural Science","1999","55","2","231","245","10.1107/S0108768198012786","","","0.71073","MoKα","","0.103","0.0425","","","","0.1397","","","","","","0.989","","","","has coordinates,has Fobs","208977","2020-10-21","18:00:00",""
"2003059","10.98","0.004","38.914","0.004","8.358","0.004","90","","103.88","0.03","90","","3467","2","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","I-TEMPO(b)","4-(4-iodophenyl)methyleneamino-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C16 H22 I N2 O -","- C16 H22 I N2 O -","- C128 H176 I8 N16 O8 -","8","2","OA0019","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Kan-nari, Eiji; Takada, Kiwamu; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds","Acta Crystallographica, Section B: Structural Science","1999","55","2","231","245","10.1107/S0108768198012786","","","0.71073","MoKα","","0.0766","0.037","","","","0.107","","","","","","1.029","","","","has coordinates,has Fobs","208977","2020-10-21","18:00:00",""
"2003060","7.977","0.006","20.158","0.007","11.383","0.009","90","","125.95","0.06","90","","1482","2","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Py-TEMPO","4-(4-pyridyl)methyleneamino-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C15 H22 N3 O -","- C15 H22 N3 O -","- C60 H88 N12 O4 -","4","1","OA0019","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Kan-nari, Eiji; Takada, Kiwamu; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds","Acta Crystallographica, Section B: Structural Science","1999","55","2","231","245","10.1107/S0108768198012786","","","0.71073","MoKα","","0.0621","0.0407","","","","0.1204","","","","","","1.001","","","","has coordinates,has Fobs","208977","2020-10-21","18:00:00",""
"2003061","14.035","0.003","22.964","0.003","10.71","0.002","90","","90","","90","","3451.8","1.1","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","3,5-diCl-TEMPO","4-(3,5-dichlorophenyl)methyleneamino-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C16 H21 Cl2 N2 O -","- C16 H21 Cl2 N2 O -","- C128 H168 Cl16 N16 O8 -","8","1","OA0019","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Kan-nari, Eiji; Takada, Kiwamu; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds","Acta Crystallographica, Section B: Structural Science","1999","55","2","231","245","10.1107/S0108768198012786","","","0.71073","MoKα","","0.1287","0.0491","","","","0.1233","","","","","","0.996","","","","has coordinates,has Fobs","208977","2020-10-21","18:00:00",""
"2003062","5.8845","0.0019","24.417","0.002","11.397","0.002","90","","104.09","0.02","90","","1588.3","0.6","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cl-TEMPO","4-(4-chlorophenyl)methyleneamino-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C16 H22 Cl N2 O -","- C16 H22 Cl N2 O -","- C64 H88 Cl4 N8 O4 -","4","1","OA0019","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Kan-nari, Eiji; Takada, Kiwamu; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds","Acta Crystallographica, Section B: Structural Science","1999","55","2","231","245","10.1107/S0108768198012786","","","0.71073","MoKα","","0.0798","0.0399","","","","0.1186","","","","","","0.993","","","","has coordinates,has Fobs","208977","2020-10-21","18:00:00",""
"2003063","7.541","0.001","20.848","0.003","10.591","0.001","90","","91.56","0.01","90","","1664.4","0.4","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Br-TEMPO","4-(4-bromophenyl)methyleneamino-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C16 H22 Br N2 O -","- C16 H22 Br N2 O -","- C64 H88 Br4 N8 O4 -","4","1","OA0019","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Kan-nari, Eiji; Takada, Kiwamu; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds","Acta Crystallographica, Section B: Structural Science","1999","55","2","231","245","10.1107/S0108768198012786","","","0.71073","MoKα","","0.1421","0.0462","","","","0.0982","","","","","","0.97","","","","has coordinates,has Fobs","208977","2020-10-21","18:00:00",""
"2003064","5.889","0.004","25.851","0.003","11.322","0.003","90","","105.27","0.03","90","","1662.8","1.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","I-TEMPO(a)","4-(4-iodophenyl)methyleneamino-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C16 H22 I N2 O -","- C16 H22 I N2 O -","- C64 H88 I4 N8 O4 -","4","1","OA0019","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Kan-nari, Eiji; Takada, Kiwamu; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds","Acta Crystallographica, Section B: Structural Science","1999","55","2","231","245","10.1107/S0108768198012786","","","0.71073","MoKα","","0.071","0.0329","","","","0.0945","","","","","","0.992","","","","has coordinates,has Fobs","208977","2020-10-21","18:00:00",""
"2003065","5.955","0.001","28.488","0.005","11.796","0.002","90","","106.72","0.02","90","","1916.5","0.6","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","biPh-TEMPO","4-(biphenyl-4-yl)methyleneamino-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C22 H27 N2 O -","- C22 H27 N2 O -","- C88 H108 N8 O4 -","4","1","OA0019","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Kan-nari, Eiji; Takada, Kiwamu; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds","Acta Crystallographica, Section B: Structural Science","1999","55","2","231","245","10.1107/S0108768198012786","","","0.71073","MoKα","","0.1175","0.0624","","","","0.1817","","","","","","0.981","","","","has coordinates,has Fobs","208977","2020-10-21","18:00:00",""
"2003066","12.0062","0.0005","12.0062","0.0005","12.0062","0.0005","90","","90","","90","","1730.68","0.12","296","","","","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","","","","- Al5 O12 Y3 -","- Al5 O12 Y3 -","- Al40 O96 Y24 -","8","0.0833333","OH0057","Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.","Cation distribution and crystal chemistry of Y~3~Al~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) garnet solid solutions","Acta Crystallographica Section B","1999","55","3","266","272","10.1107/S0108768198012567","","","0.71069","MoKα","","","0.029","","","0.026","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003067","12.0432","0.0007","12.0432","0.0007","12.0432","0.0007","90","","90","","90","","1746.73","0.18","296","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Al4 Ga O12 Y3 -","- Al4.002 Ga0.998 O12 Y3 -","- Al32.016 Ga7.984 O96 Y24 -","8","0.0833333","OH0057","Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.","Cation distribution and crystal chemistry of Y~3~Al~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) garnet solid solutions","Acta Crystallographica Section B","1999","55","3","266","272","10.1107/S0108768198012567","","","0.71069","MoKα","","","0.022","","","0.016","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003068","12.0926","0.0009","12.0926","0.0009","12.0926","0.0009","90","","90","","90","","1768.3","0.2","296","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Al3 Ga2 O12 Y3 -","- Al2.999 Ga2.001 O12 Y3 -","- Al23.992 Ga16.008 O96 Y24 -","8","0.0833333","OH0057","Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.","Cation distribution and crystal chemistry of Y~3~Al~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) garnet solid solutions","Acta Crystallographica Section B","1999","55","3","266","272","10.1107/S0108768198012567","","","0.71069","MoKα","","","0.018","","","0.017","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003069","12.1552","0.0006","12.1552","0.0006","12.1552","0.0006","90","","90","","90","","1795.92","0.15","296","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Al2 Ga3 O12 Y3 -","- Al2.001 Ga2.999 O12 Y3 -","- Al16.008 Ga23.992 O96 Y24 -","8","0.0833333","OH0057","Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.","Cation distribution and crystal chemistry of Y~3~Al~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) garnet solid solutions","Acta Crystallographica Section B","1999","55","3","266","272","10.1107/S0108768198012567","","","0.71069","MoKα","","","0.018","","","0.013","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003070","12.2123","0.0008","12.2123","0.0008","12.2123","0.0008","90","","90","","90","","1821.3","0.2","296","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Al Ga4 O12 Y3 -","- Al0.999 Ga4.001 O12 Y3 -","- Al7.992 Ga32.008 O96 Y24 -","8","0.0833333","OH0057","Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.","Cation distribution and crystal chemistry of Y~3~Al~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) garnet solid solutions","Acta Crystallographica Section B","1999","55","3","266","272","10.1107/S0108768198012567","","","0.71069","MoKα","","","0.014","","","0.009","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003075","12.94","0.003","18.06","0.002","22.544","0.011","90","","96.29","0.02","90","","5237","3","132","2","132","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetrakis(2,2'-bipyridine)bis(mu-oxo)dimanganese(3+) hexanitratocerate(3-) pentahydrate","","- C40 H42 Ce Mn2 N14 O25 -","- C40 H42 Ce Mn2 N14 O25 -","- C160 H168 Ce4 Mn8 N56 O100 -","4","0.5","OS0004","D. Ramalakshmi; M. V. Rajasekharan","Crystallographic disorder in mixed-valent dioxo-bridged Mn^III,IV^ complexes. [Mn~2~O~2~(bpy)~4~][Ce(NO~3~)~6~].5H~2~O","Acta Crystallographica Section B","1999","55","2","186","191","10.1107/S0108768198011586","","","0.71073","MoKα","","0.0539","0.0358","","0.0947","0.0783","","","","1.105","1.136","1.136","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003076","34.005","0.003","7.6024","0.0004","6.6358","0.0005","90.086","0.006","109.127","0.006","90.043","0.006","1620.8","0.2","293","","293","","","","","","","","","3","C 1","C 1","1","","bismuth tantalum oxide","","- Bi7 O18 Ta3 -","- Bi7 O18 Ta3 -","- Bi28 O72 Ta12 -","4","","OS0006","Ling, C. D.; Schmid, S.; Withers, R. L.; Thompson, J. G.; Ishizawa, N.; Kishimoto, S","Solution and refinement of the crystal structure of Bi~7~Ta~3~O~18~","Acta Crystallographica Section B","1999","55","2","157","164","10.1107/S0108768198011148","","","0.958","synchrotron","","0.05","0.0386","","","0.0337","","","","","1.249","1.249","","","","","has coordinates","209123","2020-10-21","18:00:00",""
"2003077","34.0084","0.0009","7.6069","0.0002","6.63644","0.00017","90","","109.238","0.0011","90","","1620.97","0.07","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","bismuth tantalum oxide","","- Bi7 O18 Ta3 -","- Bi7 O18 Ta3 -","- Bi28 O72 Ta12 -","4","0.5","OS0006","Ling, C. D.; Schmid, S.; Withers, R. L.; Thompson, J. G.; Ishizawa, N.; Kishimoto, S","Solution and refinement of the crystal structure of Bi~7~Ta~3~O~18~","Acta Crystallographica Section B","1999","55","2","157","164","10.1107/S0108768198011148","","neutron","","neutron","","","","","","","","","","5.41","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003078","12.934","0.003","14.748","0.003","15.858","0.003","90","","90","","90","","3024.9","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium iodide","","- C19 H9 I O3 -","- C19 H9 I O3 -","- C152 H72 I8 O24 -","8","1","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0496","0.0438","","","","0.1104","","","","","","1.196","","","","has coordinates","208975","2020-10-21","18:00:00",""
"2003079","12.817","0.003","15.196","0.003","15.396","0.003","90","","90","","90","","2998.6","1.1","120","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium tetrafluoroborate","","- C19 H9 B F4 O3 -","- C19 H9 B F4 O3 -","- C152 H72 B8 F32 O24 -","8","1","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.059","0.0437","","","","0.1239","","","","","","1.031","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003080","13.55","0.003","15.807","0.003","32.201","0.006","90","","90","","90","","6897","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluoroarsenate","","- C19 H9 As F6 O3 -","- C19 H9 As F6 O3 -","- C304 H144 As16 F96 O48 -","16","2","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0967","0.0572","","","","0.1779","","","","","","1.068","","","","has coordinates","208975","2020-10-21","18:00:00",""
"2003081","12.946","0.002","12.946","0.002","16.806","0.003","90","","90","","120","","2439.3","0.7","120","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluorophosphate","","- C19 H9 F6 O3 P -","- C19 H9 F6 O3 P -","- C114 H54 F36 O18 P6 -","6","0.166667","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0336","0.0261","","","","0.0819","","","","","","1.047","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003082","6.496","0.0013","7.653","0.0015","33.039","0.007","90","","91.95","0.03","90","","1641.5","0.6","120","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium nitratehydrogennitrate","","- C19 H10 N2 O9 -","- C19 H10 N2 O9 -","- C76 H40 N8 O36 -","4","1","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0852","0.0425","","","","0.1134","","","","","","1.002","","","","has coordinates","208975","2020-10-21","18:00:00",""
"2003083","15.771","0.003","15.473","0.003","15.332","0.003","90","","115.7","0.03","90","","3371.3","1.4","120","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium trifluoromethanesulphonate","","- C20 H9 F3 O6 S -","- C20 H9 F3 O6 S -","- C160 H72 F24 O48 S8 -","8","2","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0394","0.0315","","","","0.0889","","","","","","1.022","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003084","18.205","0.004","13.54","0.003","18.679","0.004","90","","97.93","0.03","90","","4560.3","1.8","120","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium) tetradecachlorohexamolybdate","","- C38 H18 Cl14 Mo6 O6 -","- C38 H18 Cl14 Mo6 O6 -","- C152 H72 Cl56 Mo24 O24 -","4","0.5","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0288","0.0221","","","","0.0563","","","","","","1.094","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2003085","8.63","0.0017","8.968","0.0018","9.876","0.002","97.91","0.03","102.37","0.03","108.61","0.03","689.8","0.3","120","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis(4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium) dithionate","","- C38 H18 O12 S2 -","- C38 H18 O12 S2 -","- C38 H18 O12 S2 -","1","0.5","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0375","0.0323","","","","0.0923","","","","","","1.024","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2003086","12.085","0.002","11.347","0.002","22.93","0.005","90","","102.87","0.03","90","","3065.4","1.1","120","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,6,10-tri-tert-butyl-4,8,12-trioxa-4,8,12,12c-tetrahydro- dibenzo[cd,mn]pyrenium hexafluorophosphate acetonitrile","","- C33 H36 F6 N O3 P -","- C33 H36.009 F6 N O3 P -","- C132 H144.036 F24 N4 O12 P4 -","4","1","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0484","0.0364","","","","0.0997","","","","","","1.043","","","","has coordinates,has disorder","208975","2020-10-21","18:00:00",""
"2003087","17.157","0.003","11.13","0.002","18.456","0.004","90","","96.4","0.03","90","","3502.3","1.2","120","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(2,6,10-tri-tert-butyl-4,8,12-trioxa-4,8,12,12c-tetrahydro- dibenzo[cd,mn]pyrenium) tetradecachlorohexamolybdate","","- C62 H66 Cl14 Mo6 O6 -","- C62 H66 Cl14 Mo6 O6 -","- C124 H132 Cl28 Mo12 O12 -","2","0.5","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0294","0.0234","","","","0.0582","","","","","","1.097","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2003088","12.964","0.002","12.964","0.002","16.813","0.003","90","","90","","120","","2447.1","0.7","160","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluorophosphate","","- C19 H9 F6 O3 P -","- C19 H9 F6 O3 P -","- C114 H54 F36 O18 P6 -","6","0.166667","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0462","0.031","","","","0.0902","","","","","","1.036","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003089","12.997","0.002","12.997","0.002","16.843","0.003","90","","90","","120","","2464","0.7","198","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluorophosphate","","- C19 H9 F6 O3 P -","- C19 H9 F6 O3 P -","- C114 H54 F36 O18 P6 -","6","0.166667","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0585","0.0333","","","","0.0988","","","","","","1.06","","","","has coordinates","208975","2020-10-21","18:00:00",""
"2003090","13.015","0.002","13.015","0.002","16.859","0.003","90","","90","","120","","2473.2","0.7","220","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluorophosphate","","- C19 H9 F6 O3 P -","- C19 H9 F6 O3 P -","- C114 H54 F36 O18 P6 -","6","0.166667","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0593","0.0325","","","","0.0993","","","","","","1.022","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003091","13.04","0.002","13.04","0.002","16.884","0.003","90","","90","","120","","2486.3","0.7","243","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluorophosphate","","- C19 H9 F6 O3 P -","- C19 H9 F6 O3 P -","- C114 H54 F36 O18 P6 -","6","0.166667","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0638","0.0296","","","","0.0953","","","","","","0.948","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003092","13.067","0.002","13.067","0.002","16.91","0.003","90","","90","","120","","2500.5","0.7","268","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluorophosphate","","- C19 H9 F6 O3 P -","- C19 H9 F6 O3 P -","- C114 H54 F36 O18 P6 -","6","0.166667","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0758","0.0371","","","","0.1124","","","","","","1.067","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003093","13.094","0.002","13.094","0.002","16.937","0.003","90","","90","","120","","2514.8","0.7","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluorophosphate","","- C19 H9 F6 O3 P -","- C19 H9 F6 O3 P -","- C114 H54 F36 O18 P6 -","6","0.166667","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0851","0.0344","","","","0.1106","","","","","","1.001","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003094","13.111","0.002","13.111","0.002","16.953","0.003","90","","90","","120","","2523.8","0.7","313","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluorophosphate","","- C19 H9 F6 O3 P -","- C19 H9 F6 O3 P -","- C114 H54 F36 O18 P6 -","6","0.166667","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0863","0.0363","","","","0.1095","","","","","","1.054","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003095","13.131","0.002","13.131","0.002","16.97","0.003","90","","90","","120","","2534","0.7","338","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluorophosphate","","- C19 H9 F6 O3 P -","- C19 H9 F6 O3 P -","- C114 H54 F36 O18 P6 -","6","0.166667","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.1019","0.0365","","","","0.1137","","","","","","1.049","","","","has coordinates","208975","2020-10-21","18:00:00",""
"2003096","13.181","0.002","13.181","0.002","17.025","0.003","90","","90","","120","","2561.6","0.7","373","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluorophosphate","","- C19 H9 F6 O3 P -","- C19 H9 F6 O3 P -","- C114 H54 F36 O18 P6 -","6","0.166667","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.1208","0.042","","","","0.1276","","","","","","1.093","","","","has coordinates","208975","2020-10-21","18:00:00",""
"2003097","9.567","0.001","9.567","0.001","20.754","0.002","90","","90","","120","","1645.1","0.3","293","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ca15 I O37 P9 -","- Ca15 I1.048 O36.98 P9 -","- Ca30 I2.096 O73.96 P18 -","2","0.166667","OS0009","Alberius Henning, Peter; Lidin, Sven; Petříček, Vačlav","Iodo-oxyapatite, the first example from a new class of modulated apatites","Acta Crystallographica Section B","1999","55","2","165","169","10.1107/S0108768198012312","","","0.7107","MoKα","","0.0937","0.0452","","0.0545","0.0459","","","","1.01","1.29","1.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003098","9.8944","0.0002","4.7425","0.0001","12.9045","0.0002","90","","93.374","0.001","90","","604.48","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Isoleucine:D-Alanine","","- C9 H20 N2 O4 -","- C9 H20 N2 O4 -","- C18 H40 N4 O8 -","2","1","OS0011","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series","Acta Crystallographica Section B","1999","55","3","424","431","10.1107/S0108768198013494","","","0.71073","MoKα","","0.0885","0.0612","","0.1697","0.1548","","","","1.004","1.084","1.084","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003099","26.9873","0.0006","4.7471","0.0001","9.9652","0.0002","90","","94.546","0.001","90","","1272.64","0.05","170","2","170","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Isoleucine:D-aminobutyric acid","","- C10 H22 N2 O4 -","- C10 H22 N2 O4 -","- C40 H88 N8 O16 -","4","1","OS0011","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series","Acta Crystallographica Section B","1999","55","3","424","431","10.1107/S0108768198013494","","","0.71073","MoKα","","0.0428","0.0385","","0.1043","0.0995","","","","1.085","1.073","1.073","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003100","29.0557","0.0007","4.7551","0.0001","9.9398","0.0002","90","","101.358","0.001","90","","1346.42","0.05","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Isoleucine:D-Norvaline","","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","- C44 H96 N8 O16 -","4","1","OS0011","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series","Acta Crystallographica Section B","1999","55","3","424","431","10.1107/S0108768198013494","","","0.71073","MoKα","","0.0364","0.0349","","0.0971","0.0946","","","","1.093","1.079","1.079","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003101","10.012","0.002","4.7227","0.0009","30.335","0.006","90","","98.38","0.03","90","","1419","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Isoleucine:D-Norleucine","","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","- C48 H104 N8 O16 -","4","2","OS0011","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series","Acta Crystallographica Section B","1999","55","3","424","431","10.1107/S0108768198013494","","","0.71073","MoKα","","0.0621","0.0482","","0.1183","0.1109","","","","1.119","1.143","1.143","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003102","31.7681","0.0003","4.717","0.0001","10.0043","0.0001","90","","105.914","0.001","90","","1441.69","0.04","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","L-Isoleucine:D-Methionine","","- C11 H24 N2 O4 S -","- C11 H24 N2 O4 S -","- C44 H96 N8 O16 S4 -","4","1","OS0011","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series","Acta Crystallographica Section B","1999","55","3","424","431","10.1107/S0108768198013494","","","0.71073","MoKα","","0.0606","0.0419","","0.1028","0.0931","","","","1.075","1.088","1.088","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003103","5.2528","0.0001","23.9809","0.0006","5.42","0.0001","90","","110.42","0.001","90","","639.84","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Isoleucine:D-Valine","","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","- C22 H48 N4 O8 -","2","1","OS0011","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series","Acta Crystallographica Section B","1999","55","3","424","431","10.1107/S0108768198013494","","","0.71073","MoKα","","0.0532","0.0458","","0.1114","0.1066","","","","1.14","1.145","1.145","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003104","5.1933","0.0003","5.4064","0.0003","13.6968","0.0007","91.516","0.002","98.603","0.002","110.376","0.002","355.16","0.03","150","2","150","2","","","","","","","","4","P 1","P 1","1","","L-Isoleucine:D-Leucine","","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","1","1","OS0011","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series","Acta Crystallographica Section B","1999","55","3","424","431","10.1107/S0108768198013494","","","0.71073","MoKα","","0.0665","0.0526","","0.134","0.1181","","","","1.119","1.059","1.059","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003105","8.71083","0.00004","8.71083","","17.32202","0.0001","90","","90","","90","","1314.37","0.01","293","","293","","","","","","","","","3","I 4/m","-I 4","87","","bismuth tungsten oxide","","- Bi14 O24 W -","- Bi14 O24 W -","- Bi28 O48 W2 -","2","0.125","OS0017","Ling, C. D.; Withers, R. L.; Thompson, J. G.; Schmid, S.","Structures of Bi~14~WO~24~ and Bi~14~MoO~24~ from neutron powder diffraction data","Acta Crystallographica Section B","1999","55","3","306","312","10.1107/S0108768198014086","","neutron","","neutron","","","","","","","","","","2.71","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003106","8.70839","0.00004","8.70839","","17.31634","0.00014","90","","90","","90","","1313.2","0.012","293","","293","","","","","","","","","3","I 4/m","-I 4","87","","bismuth tungsten oxide","","- Bi14 Mo O24 -","- Bi14 Mo O24 -","- Bi28 Mo2 O48 -","2","0.125","OS0017","Ling, C. D.; Withers, R. L.; Thompson, J. G.; Schmid, S.","Structures of Bi~14~WO~24~ and Bi~14~MoO~24~ from neutron powder diffraction data","Acta Crystallographica Section B","1999","55","3","306","312","10.1107/S0108768198014086","","neutron","","neutron","","","","","","","","","","2.59","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003107","8.695","0.0008","12.1085","0.0015","12.4538","0.0011","80.905","0.007","86.368","0.009","84.22","0.009","1286.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Hydrated,bis[(diethylenetrimine)copper]-μ-(1,3-imidazolate-N,N') triperchlorate","","- C11 H29 Cl3 Cu2 N8 O13 -","- C11 H27 Cl3 Cu2 N8 O13 -","- C22 H54 Cl6 Cu4 N16 O26 -","2","1","","Bu, Weiming; Ye, Ling; Zhu, Hailiang; Yang, Guangdi; Fan, Yuguo; Tang, Wenxia","μ-1,3-Imidazolyl-κN:κN'-bis[(diethylenetriaminato-κ^3^N)copper] triperchlorate hydrate","Acta Crystallographica, Section C: Crystal Structure Communications","1999","55","5","IUC9900045","","10.1107/s0108270199099527","","","0.71073","MoKα","","0.0548","0.0426","","0.0654","0.0521","","","","1.015","1.156","1.156","","","","","has coordinates","182018","2020-10-21","18:00:00",""
"2003109","14.7711","0.0005","14.7711","0.0005","3.82206","0.00006","90","","90","","120","","722.19","0.04","293","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","","","- C10 H15 Li -","- C7.998 Li -","- C23.994 Li3 -","3","0.166667","SE0236","Robert E. Dinnebier","Disorder determined by high-resolution powder diffraction: structure of pentamethylcyclopentadienyllithium","Acta Crystallographica Section B","1999","55","1","35","44","10.1107/S0108768198007009","","","0.84979","synchrotron","","","","","","","","","","","","","","","","","has coordinates","208817","2020-10-21","18:00:00",""
"2003110","5.8907","0.0007","26.071","0.002","11.8868","0.0011","90","","106.118","0.009","90","","1753.8","0.3","258","1","258","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 adduct of hexamethylenetetramine and azelaic acid","","","- C15 H28 N4 O4 -","- C15 H28 N4 O4 -","- C60 H112 N16 O16 -","4","1","SE0259","Marc Hostettler; Henrik Birkedal; Manual Gardon; Gervais Chapuis; Dieter Schwarzenbach; Michel Bonin","Phase-transition-induced twinning in the 1:1 adduct of hexamethylenetetramine and azelaic acid","Acta Crystallographica Section B","1999","55","3","448","458","10.1107/S0108768198017200","","","0.71073","MoKα","","0.0469","0.0469","","","","0.1364","","","","","","1.15","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003112","5.589","0.0005","5.589","0.0005","4.6947","0.0004","90","","90","","90","","146.65","0.02","148","","","","","","","","","","","4","P -4 21 m","P -4 2ab","","","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","SH0102","Zavodnik, Valery; Stash, Adam; Tsirelson, Vladimir; de Vries, Roelof; Feil, Dirk","Electron density study of urea using TDS-corrected X-ray diffraction data: quantitative comparison of experimental and theoretical results","Acta Crystallographica Section B","1999","55","1","45","54","10.1107/S0108768198005746","","","0.7069","MoKα","","","","","","","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003124","5.5887","0.0005","7.7619","0.0005","5.4489","0.0005","90","0.007","90","0.007","90","0.007","236.37","0.03","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe Nd O3 -","- Fe Nd O3 -","- Fe4 Nd4 O12 -","4","0.5","SH0113","Streltsov, V. A.; Ishizawa, N.","Synchrotron X-ray study of the electron density in <i>R</i>FeO~3~ (<i>R</i> = Nd, Dy)","Acta Crystallographica Section B","1999","55","1","1","7","10.1107/S0108768198005400","","","0.84","xray_vertical_wiggler","","0.03","0.029","","0.033","0.033","","","","2.491","2.509","2.509","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2003125","5.5957","0.0008","7.629","0.0009","5.3009","0.0011","90","0.012","90","0.012","90","0.012","226.29","0.06","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Dy Fe O3 -","- Dy Fe O3 -","- Dy4 Fe4 O12 -","4","0.5","SH0113","Streltsov, V. A.; Ishizawa, N.","Synchrotron X-ray study of the electron density in <i>R</i>FeO~3~ (<i>R</i> = Nd, Dy)","Acta Crystallographica Section B","1999","55","1","1","7","10.1107/S0108768198005400","","","0.84","xray_vertical_wiggler","","0.038","0.038","","0.04","0.04","","","","3.263","3.263","3.263","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2003129","9.462","0.001","8.392","0.001","5.221","0.001","90","","110.18","0.01","90","","389.12","0.1","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Al Li O6 Si2 -","- Al Li O6 Si2 -","- Al4 Li4 O24 Si8 -","4","0.5","SH0121","Kuntzinger, Sandrine; Ghermani, Nour Eddine","Electron density distribution and Madelung potential in α-spodumene, LiAl(SiO~3~)~2~, from two-wavelength high-resolution X-ray diffraction data","Acta Crystallographica Section B","1999","55","3","273","284","10.1107/S0108768198013536","","","0.7107","MoKα","","","0.0137","","","","0.0145","","","","","","0.97","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003130","9.456","0.001","8.386","0.001","5.216","0.001","90","","110.13","0.01","90","","388.35","0.1","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Al Li O6 Si2 -","- Al Li O6 Si2 -","- Al4 Li4 O24 Si8 -","4","0.5","SH0121","Kuntzinger, Sandrine; Ghermani, Nour Eddine","Electron density distribution and Madelung potential in α-spodumene, LiAl(SiO~3~)~2~, from two-wavelength high-resolution X-ray diffraction data","Acta Crystallographica Section B","1999","55","3","273","284","10.1107/S0108768198013536","","","0.5608","AgKα","","","0.0155","","","","0.0151","","","","","","0.84","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003131","5.79095","0.00008","5.8221","0.00007","8.20358","0.00012","90","","90.1262","0.0011","90","","276.59","","","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Nb0.5 O3 Sr Yb0.5 -","- Nb O6 Sr2 Yb -","- Nb2 O12 Sr4 Yb2 -","2","0.5","SH0123","Yang, Jae Ho; Choo, Woong Kil; Lee, Jin Ho; Lee, Chang Hee","The Crystal Structure of B-site Ordered Complex Perovskite SrYb~0.5~Nb~0.5~O~3~","Acta Crystallographica, Section B","1999","55","2","348","354","10.1107/S0108768198018333","","x-ray","1.54056","CuKα","","","","","","","","","","3.28","","","","","","","has coordinates","188497","2020-10-21","18:00:00",""
"2003132","5.79095","","5.8221","","8.20358","","90","","90.1262","","90","","276.59","","","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Nb0.5 O3 Sr Yb0.5 -","- Nb O6 Sr2 Yb -","- Nb2 O12 Sr4 Yb2 -","2","0.5","SH0123","Yang, Jae Ho; Choo, Woong Kil; Lee, Jin Ho; Lee, Chang Hee","The Crystal Structure of B-site Ordered Complex Perovskite SrYb~0.5~Nb~0.5~O~3~","Acta Crystallographica, Section B","1999","55","2","348","354","10.1107/S0108768198018333","","neutron","1.8339","","","","","","","","","","","1.7005","","","","","","","has coordinates","188497","2020-10-21","18:00:00",""
"2003133","9.094","0.008","18.143","0.004","12.902","0.003","90","","106.13","0.04","90","","2045","2","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-chloropyridinium trichloromercurate(II)","","- C5 H5 Cl4 Hg N -","- C5 H5 Cl4 Hg N -","- C40 H40 Cl32 Hg8 N8 -","8","2","SH0124","Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick","Polynuclear chloromercurate(II) systems in their chloropyridinium salts","Acta Crystallographica Section B","1999","55","3","396","409","10.1107/S010876819801550X","","","0.71069","MoKα","","0.1002","0.0437","","0.0392","","0.0358","","","","","","1.684","","","","has coordinates,has Fobs","288311","2023-12-14","14:19:09",""
"2003134","7.522","0.002","28.046","0.003","9.165","0.002","90","","105.78","0.02","90","","1860.6","0.7","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrakis(3-chloropyridinium) decachlorotrimercurate(II)","","- C20 H20 Cl14 Hg3 N4 -","- C20 H20 Cl14 Hg3 N4 -","- C40 H40 Cl28 Hg6 N8 -","2","0.5","SH0124","Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick","Polynuclear chloromercurate(II) systems in their chloropyridinium salts","Acta Crystallographica Section B","1999","55","3","396","409","10.1107/S010876819801550X","","","0.71069","MoKα","","0.0562","0.0357","","0.0388","","0.0375","","","","","","1.95","","","","has coordinates,has Fobs","288311","2023-12-14","14:19:17",""
"2003135","9.907","0.003","13.226","0.002","7.282","0.002","84.41","0.02","74.81","0.02","87.34","0.02","916.2","0.4","173","1","173","1","","","","","","","","5","P -1","-P 1","2","","tetrakis(4-chloropyridinium) decachlorotrimercurate(II)","","- C20 H20 Cl14 Hg3 N4 -","- C20 H20 Cl14 Hg3 N4 -","- C20 H20 Cl14 Hg3 N4 -","1","0.5","SH0124","Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick","Polynuclear chloromercurate(II) systems in their chloropyridinium salts","Acta Crystallographica Section B","1999","55","3","396","409","10.1107/S010876819801550X","","","0.71069","MoKα","","0.055","0.0383","","0.0396","","0.0386","","","","","","2.2","","","","has coordinates","288311","2023-12-14","14:19:32",""
"2003136","7.243","0.005","22.145","0.008","12.32","0.003","90","","99.52","0.03","90","","1948.9","1.6","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-chloropyridinium trichloromercurate(II)","","- C5 H5 Cl4 Hg N -","- C5 H5 Cl4 Hg N -","- C40 H40 Cl32 Hg8 N8 -","8","2","SH0124","Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick","Polynuclear chloromercurate(II) systems in their chloropyridinium salts","Acta Crystallographica Section B","1999","55","3","396","409","10.1107/S010876819801550X","","","0.71069","MoKα","","0.0879","0.0486","","0.0513","","0.0489","","","","","","2.014","","","","has coordinates,has Fobs","288311","2023-12-14","14:19:45",""
"2003137","13.447","0.003","7.534","0.002","9.939","0.002","90","","97.48","0.02","90","","998.3","0.4","173","1","173","1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","bis(4-chloropyridinium) hexachlorodimercurate(II)","","- C10 H10 Cl8 Hg2 N2 -","- C12 H10 Cl8 Hg2 N4 -","- C24 H20 Cl16 Hg4 N8 -","2","0.25","SH0124","Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick","Polynuclear chloromercurate(II) systems in their chloropyridinium salts","Acta Crystallographica Section B","1999","55","3","396","409","10.1107/S010876819801550X","","","0.71069","MoKα","","","0.0528","","0.0675","","0.0641","","","0.0653","","","2.187","","","","has coordinates,has Fobs","288311","2023-12-14","14:19:52",""
"2003165","10.191","0.005","17.678","0.008","17.754","0.009","90","","99.42","0.02","90","","3155","3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H48 Cl2 N6 O8 Zn -","- C44 H104.32 Cl4.002 N12 O17.22 Zn2 -","- C176 H417.28 Cl16.008 N48 O68.88 Zn8 -","4","0.5","TA0004","Haller, Kenneth J.; Rae, A. David; Bygott, Alexia M. T.; Hockless, David C. R.; Ralph, Stephen F.; Geue, Rodney J.; Sargeson, Alan M.","Four-component intergrowth structures of the metal-ion cage complexes <i>fac</i>-(1,5,9,13,20-pentamethyl-3,7,11,15,18,22-hexaazabicyclo[7.7.7]tricosane)<i>M</i>^II^ diperchlorate hydrate, [<i>M</i>(C~22~H~48~N~6~)](ClO~4~)~2~.<i>x</i>H~2~O, <i>M</i> = Ni, Zn","Acta Crystallographica Section B","1999","55","3","380","388","10.1107/S0108768198012968","","","1.5418","CuKα","","0.069","0.054","","0.09","0.083","","","","1.73","1.78","1.78","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003166","10.177","0.001","17.648","0.002","17.605","0.002","90","","99.7","0.01","90","","3116.7","0.6","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H48 Cl2 N6 Ni O8 -","- C26.62 H58.08 Cl2.42 N7.26 Ni1.21 O10.292 -","- C106.48 H232.32 Cl9.68 N29.04 Ni4.84 O41.168 -","4","0.5","TA0004","Haller, Kenneth J.; Rae, A. David; Bygott, Alexia M. T.; Hockless, David C. R.; Ralph, Stephen F.; Geue, Rodney J.; Sargeson, Alan M.","Four-component intergrowth structures of the metal-ion cage complexes <i>fac</i>-(1,5,9,13,20-pentamethyl-3,7,11,15,18,22-hexaazabicyclo[7.7.7]tricosane)<i>M</i>^II^ diperchlorate hydrate, [<i>M</i>(C~22~H~48~N~6~)](ClO~4~)~2~.<i>x</i>H~2~O, <i>M</i> = Ni, Zn","Acta Crystallographica Section B","1999","55","3","380","388","10.1107/S0108768198012968","","","1.5418","CuKα","","0.133","0.074","","0.137","0.121","","","","1.91","2.55","2.55","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2003173","36.394","0.001","7.3674","0.0005","31.006","0.002","90","","90","","90","","8313.6","0.8","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","calcium_zirconium_tantalum_oxide","","- Ca7 O36 Ta6 Zr7 -","- Ca6.98667 O36 Ta5.94667 Zr7.06667 -","- Ca83.84 O432 Ta71.36 Zr84.8 -","12","0.375","BR0081","Schmid, Siegbert; Thompson, John G.; Withers, Ray L.; Ling, Christopher D.; Ishizawa, Nobuo; Kishimoto, Shunji","The crystal structure of Ca~7~Zr~7~Ta~6~O~36~ refined using synchrotron-radiation data","Acta Crystallographica Section B","1999","55","3","313","320","10.1107/S0108768198014268","","","1.2682","xray","","0.047","0.031","","0.038","0.034","","","","1.379","1.508","1.508","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008042","11.8769","0.0001","11.8769","0.0001","23.0394","0.0004","90","","90","","120","","2814.54","0.06","228","2","228","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- Co H28 I Mo6 Na3 O38 -","- Co1.02 I Mo6 Na3 O38 -","- Co3.06 I3 Mo18 Na9 O114 -","3","0.0833333","BK1375","Rosu, Cristina; Dickman, Michael H.","Cobalt(II) trisodium hexamolybdoperiodate tetradecahydrate","Acta Crystallographica Section C","1999","55","1","11","13","10.1107/S0108270198011391","","","0.71073","MoKα","","0.0357","0.0334","","0.1024","0.0997","","","","1.167","1.181","1.181","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008043","12.852","0.002","12.852","0.002","13.037","0.003","90","","90","","90","","2153.4","0.7","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C12 H33 Cl4 Co N4 O3 -","- C12 H30 Cl4 Co N4 O3 -","- C48 H120 Cl16 Co4 N16 O12 -","4","0.5","BK1391","Jeong, Jong Hwa; Kim, Dong Yeub; Lee, Dong Jin; Lee, Bae Wook; Doh, Myung Ki","Oxonium Λ-{<i>N</i>,<i>N</i>'-bis[2(<i>S</i>)-pyrrolidinylmethyl]ethane-1,2-diamine}-<i>cis</i>-α-dichlorocobalt(III) dichloride dihydrate","Acta Crystallographica Section C","1999","55","1","56","58","10.1107/S0108270198009421","","","0.71073","MoKα","","0.046","0.042","","","","0.088","","","","","","1.084","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2008044","7.6544","0.0012","15.351","0.003","10.287","0.002","90","","106.544","0.008","90","","1158.7","0.4","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 Cl2 N8 Sn -","- C26 H14 Cl2 N8 Sn -","- C52 H28 Cl4 N16 Sn2 -","2","0.5","BK1399","Farris, Philip J.; Jacobs, Jude T.; Okonczac, Michael P.; Durfee, William S.; Noll, Bruce C.","<i>trans</i>-Dichloro(hemiporphyrazinato)tin(IV)","Acta Crystallographica Section C","1999","55","1","32","33","10.1107/S0108270198011408","","","0.71073","MoKα","","0.079","0.046","","0.12","0.1043","","","","0.999","1.042","1.042","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008045","10.273","0.002","11.077","0.002","13.803","0.003","69.43","0.01","68.45","0.01","79.33","0.01","1364.9","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","bis(tetraphenylphosphonium) bis(cis-1,2-dicarbomethoxyethylene-1,2-diseleno)- palladate(II)","","- C60 H52 O8 P2 Pd Se4 -","- C60 H52 O8 P2 Pd Se4 -","- C60 H52 O8 P2 Pd Se4 -","1","0.5","BK1405","McLauchlan, Craig C.; Ibers, James A.","[PPh~4~]~2~[Pd{Se~2~C~2~(COOCH~3~)~2~}~2~]","Acta Crystallographica Section C","1999","55","1","30","32","10.1107/S0108270198010543","","","0.71073","MoKα","","0.0789","0.0414","","","","0.0889","","","","","","0.899","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008046","15.894","0.001","13.693","0.002","8.442","0.001","90","","94.87","0.01","90","","1830.7","0.4","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,3',5,5'-tetramethyl-6,6'-dimethoxybiphenyl-2,2'-dimethanol","","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","BK1410","Dobson, Allison J.; Gerkin, Roger E.","6,6'-Dimethoxy-3,3',5,5'-tetramethylbiphenyl-2,2'-dimethanol","Acta Crystallographica Section C","1999","55","1","82","84","10.1107/S0108270198009779","","","0.71073","MoKα","","","0.057","","","0.07","","","","","1.71","1.71","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008047","30.559","0.003","6.363","0.003","19.744","0.004","90","","105.82","0.01","90","","3693.7","1.9","296","","296","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","dineopentylprehnitene","","","- C20 H34 -","- C20 H34 -","- C160 H272 -","8","1","BK1414","Gerkin, Roger E.","Dineopentylprehnitene (1,2,3,4-tetramethyl-5,6-dineopentylbenzene) at 296 and 223K","Acta Crystallographica Section C","1999","55","1","79","82","10.1107/S010827019801141X","","","0.71073","MoKα","","","0.086","","","0.112","","","","","1.54","1.54","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008048","30.439","0.002","6.314","0.003","19.663","0.003","90","","106.06","0.01","90","","3631.6","1.8","223","","223","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","dineopentylprehnitene","","","- C20 H34 -","- C20 H34 -","- C160 H272 -","8","1","BK1414","Gerkin, Roger E.","Dineopentylprehnitene (1,2,3,4-tetramethyl-5,6-dineopentylbenzene) at 296 and 223K","Acta Crystallographica Section C","1999","55","1","79","82","10.1107/S010827019801141X","","","0.71073","MoKα","","","0.072","","","0.107","","","","","1.8","1.8","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008049","10.1867","0.001","9.759","0.002","17.7778","0.001","90","0.001","94.009","0.01","90","0.02","1763","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-H...π (Indole) Intermolecular Interaction in 3,3'-Di Indolyl-Phenyl Methane","","- C23 H18 N2 -","- C23 H18 N2 -","- C92 H72 N8 -","4","1","BM1241","R. Krishna; D. Velmurugan; G. Babu; P.T. Perumal","N—H···π(indole) intermolecular interactions in 3,3'-benzylidenediindole","Acta Crystallographica Section C","1999","55","1","75","78","10.1107/S0108270198010695","","","1.54178","CuKα","","0.0671","0.0532","","0.1892","0.1618","","","","1.039","1.063","1.063","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008050","23.93","0.002","12.5245","0.0011","11.903","0.002","90","","90","","90","","3567.5","0.7","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","A complex of 4,4,8,8-tetrakis(1-pyrazolyl)pyrazabole and diphenyltin(IV) dichloride monohydrate","","- C30 H30 B2 Cl2 N12 O Sn -","- C30 H30 B2 Cl2 N12 O Sn -","- C120 H120 B8 Cl8 N48 O4 Sn4 -","4","1","BM1258","Dey, Dilip Kumar; Das, Mrinal Kanti; Chinnakali, Kandasamy; Fun, Hoong-Kun; Razak, Ibrahim Abdul","An adduct of aquadichlorodiphenyltin(IV) and 4,4,8,8-tetrakis(1-pyrazolyl)pyrazabole","Acta Crystallographica Section C","1999","55","1","20","22","10.1107/S0108270198009780","","","0.71073","MoKα","","0.068","0.039","","0.088","0.081","","","","0.887","1.01","1.01","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2008051","8.951","0.002","12.802","0.002","12.879","0.002","107.62","0.01","104.61","0.01","90.31","0.01","1355.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Mo N2 O4 -","- C12 H10 Mo N2 O4 -","- C48 H40 Mo4 N8 O16 -","4","2","BM1268","Mentes, Ayfer; Fawcett, John; Kemmitt, Raymond D. W.; Russell, David R.","Molybdenum‒tetracarbonyl complexes with Schiff base ligands","Acta Crystallographica Section C","1999","55","1","48","50","10.1107/S0108270198011433","","","0.71073","MoKα","","0.044","0.033","","0.085","0.079","","","","1.071","1.102","1.102","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008052","11.529","0.002","11.879","0.001","12.661","0.004","90","","96.21","0.01","90","","1723.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Mo N2 O4 -","- C17 H12 Mo N2 O4 -","- C68 H48 Mo4 N8 O16 -","4","1","BM1268","Mentes, Ayfer; Fawcett, John; Kemmitt, Raymond D. W.; Russell, David R.","Molybdenum‒tetracarbonyl complexes with Schiff base ligands","Acta Crystallographica Section C","1999","55","1","48","50","10.1107/S0108270198011433","","","0.71073","MoKα","","0.044","0.032","","0.083","0.077","","","","1.096","1.137","1.137","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008053","8.5887","0.001","8.6404","0.0006","9.6169","0.0006","90","","98.398","0.007","90","","706.02","0.11","294","1","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","N-((R/S)-2-Hydroxy-2-Phenylacetyl)-L-leucine","(2S)-2-{[(2R)-2-hydroxy-2-phenylethanoyl]amino}-4-methylpentanoic acid","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C28 H38 N2 O8 -","2","1","BM1269","Dalton, John P.; Gallagher, John F.; Kenny, Peter T. M.; O'Donohoe, Michael","Intramolecular N—H···O, intermolecular O—H···O, C—H···O and C<i>sp</i>^3^—H···π~arene~ interactions in (2<i>S</i>)-2-{[(2<i>R</i>)-2-hydroxy-2-phenylethanoyl]amino}-4-methylpentanoic acid","Acta Crystallographica Section C","1999","55","1","126","129","10.1107/S0108270198010063","","","0.7107","MolybdenumKα","","0.057","0.04","","","","0.119","","","","","","1.013","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008054","9.969","0.004","11.671","0.003","12.706","0.002","63.859","0.013","77.63","0.02","65.257","0.015","1204.5","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 Fe N4 O3 -","- C27 H27 Fe N4 O3 -","- C54 H54 Fe2 N8 O6 -","2","1","BM1273","Ling He; Qing-Fang Shi; Shao-Hua Gou; Ming Qian; Chun-Ying Duan","[<i>N</i>-Salicyl-<i>N</i>,<i>N</i>-bis(salicylidenenitriloethyl)amino]iron(III) acetonitrile solvate","Acta Crystallographica Section C","1999","55","1","46","47","10.1107/S0108270198010580","","","0.71073","MoKα","","0.0578","0.0447","","0.1207","0.1116","","","","1.045","1.069","1.069","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008055","7.212","0.002","5.177","0.001","11.498","0.003","90","0.02","93.11","0.02","90","0.03","428.6","0.4","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B8 Ca8 O20 -","4","1","","Lin, Qi-Sheng; Cheng, Wen-Dan; Chen, Jiu-Tong; Huang, Jin-Shun","Calcium pyroborate, Ca~2~B~2~O~5~","Acta Crystallographica Section C","1999","55","","04","06","","","","","","","","0.0561","","","0.071","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008056","9.256","0.003","9.726","0.003","12.073","0.003","90","","90","","90","","1086.9","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl4 K3 N O3 Zn -","- Cl4 K3 N O3 Zn -","- Cl16 K12 N4 O12 Zn4 -","4","0.5","","Carter, Robert L.; Zompa, Leverett J.","The Double-Anion Salts M~3~[ZnCl~4~]NO~3~ (M = K^+^ and NH~4~^+^)","Acta Crystallographica Section C","1999","55","","06","08","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2008057","9.268","0.003","10.042","0.003","12.482","0.003","90","","90","","90","","1161.7","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl4 H12 N4 O3 Zn -","- Cl4 H12 N4 O3 Zn -","- Cl16 H48 N16 O12 Zn4 -","4","0.5","","Carter, Robert L.; Zompa, Leverett J.","The Double-Anion Salts M~3~[ZnCl~4~]NO~3~ (M = K^+^ and NH~4~^+^)","Acta Crystallographica Section C","1999","55","","06","08","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008058","19.8165","0.0002","11.4468","0.0001","9.9208","0.0001","90","","109.185","0.0005","90","","2125.41","0.04","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ba4 O27 Ti12 -","- Ba4 O27 Ti12 -","- Ba16 O108 Ti48 -","4","0.5","","Currao, Antonio","Ba~4~Ti~12~O~27~: Rietveld refinement using x-ray powder diffraction data","Acta Crystallographica Section C","1999","55","","02","04","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008059","11.129","0.001","8.247","0.001","5.5395","0.0003","90","","100.88","0.01","90","","499.28","0.08","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Bloedite","","","- H8 Mg Na2 O12 S2 -","- H8 Mg Na2 O12 S2 -","- H16 Mg2 Na4 O24 S4 -","2","0.5","BR1219","Vizcayno, Carmen; Garcia-Gonzalez, M. Teresa","Na~2~Mg(SO~4~)~2~.4H~2~O, the Mg end-member of the bloedite-type of mineral","Acta Crystallographica Section C","1999","55","1","8","11","10.1107/S0108270198011135","","","0.7107","MoKα","","0.0294","0.0289","","0.079","0.078","","","","1.207","1.201","1.201","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008060","9.486","0.001","21.276","0.004","25.266","0.004","90","","94.92","0.01","90","","5080.5","1.4","213","1","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H38 Cl2 O11 P2 Ru3 -","- C50 H38 Cl2 O11 P2 Ru3 -","- C200 H152 Cl8 O44 P8 Ru12 -","4","1","DA1022","Liu, Jianping; Boyd, Edwin P.; Shore, Sheldon G.","The [Ru~3~(CO)~11~]^2-^ dianion","Acta Crystallographica Section C","1999","55","1","29","30","10.1107/S010827019800883X","","","0.71073","MoKα","","0.055","0.033","","0.139","","0.084","","","","","","1.049","","","","has coordinates,has Fobs","278322","2022-10-03","12:14:44",""
"2008061","7.826","0.002","17.069","0.003","11.578","0.002","90","","93.09","0.03","90","","1544.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(triethanolamine)strontium(II) bis(2,4-dinitrophenolate)","","- C24 H36 N6 O16 Sr -","- C24 H36 N6 O16 Sr -","- C48 H72 N12 O32 Sr2 -","2","0.5","DE1079","Poonia, Narinder Singh; Chhabra, Neera; Sheldrick, W. S.; Hundal, Geeta; Obrai, Sangeeta; Hundal, Maninder Singh","Bis(triethanolamine)strontium(II) bis(2,4-dinitrophenolate)","Acta Crystallographica Section C","1999","55","1","24","26","10.1107/S0108270198010075","","","0.71073","MoKα","","0.136","0.078","","0.279","0.191","","","","1.077","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008062","8.736","0.002","9.655","0.002","18.773","0.004","99.79","0.03","95.9","0.03","102.93","0.03","1504.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,5,8,11,14-pentaoxapentadecanecalcium(II) (2,4,6-trinitrophenolate)","","- C22 H26 Ca N6 O19 -","- C22 H26 Ca N6 O19 -","- C44 H52 Ca2 N12 O38 -","2","1","DE1081","Poonia, Narinder Singh; Hundal,Geeta; Obrai, Sangeeta; Hundal, Maninder Singh","(2,5,8,11,14-Pentaoxapentadecane-κ^5^<i>O</i>)bis(2,4,6-trinitrophenolato-<i>O</i>^1^,<i>O</i>^2^)calcium(II)","Acta Crystallographica Section C","1999","55","1","26","28","10.1107/S0108270198005721","","","0.71073","MoKα","","0.1","0.061","","0.187","0.152","","","","1.047","1.129","1.129","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008063","11.834","0.002","12.159","0.004","12.438","0.004","90","","112.77","0.02","90","","1650.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(2,2'-biphenoxy)(cyclohexylamino)phosphate","2,2'-Biphenyl (Cyclohexylamino)phosphonate","","- C18 H20 N O3 P -","- C18 H20 N O3 P -","- C72 H80 N4 O12 P4 -","4","1","DE1092","Muthaiah, C.; Kumara Swamy, K. C.","2,2'-Biphenyl (cyclohexylamino)phosphonate: a hydrogen-bonded dimer","Acta Crystallographica Section C","1999","55","1","110","112","10.1107/S0108270198010087","","","0.71073","MoKα","","0.064","0.044","","","","0.148","","","","","","1.08","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008064","12.0436","0.0009","9.187","0.0005","18.7995","0.001","90","","93.128","0.008","90","","2077","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1'-Diiodo-3,3'-bis(trimethylsilyl)ferrocene","","- C16 H24 Fe I2 Si2 -","- C16 H24 Fe I2 Si2 -","- C64 H96 Fe4 I8 Si8 -","4","1","FG1467","Foucher, Daniel A.; Lough, Alan J.; Park, Peter","1,1'-Diiodo-3,3'-bis(trimethylsilyl)ferrocene","Acta Crystallographica Section C","1999","55","1","33","35","10.1107/S0108270198009792","","","0.71073","MoKα","","0.056","0.038","","0.098","0.092","","","","0.922","1.021","1.021","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008065","6.29","0.002","7.04","0.003","27.479","0.004","90","","100.83","0.03","90","","1195.1","0.7","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Mn O12 S2 -","- C16 H26 Mn O12 S2 -","- C32 H52 Mn2 O24 S4 -","2","0.5","FG1487","Melvin A. Leonard; Philip J. Squattrito; Surendra N. Dubey","Hexaaquametal(II) 4-styrenesulfonates of manganese, cobalt and nickel","Acta Crystallographica Section C","1999","55","1","35","39","10.1107/S0108270198010105","","","0.7107","MoKα","","","0.083","","","0.091","","","","","","","1.48","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008066","6.298","0.002","6.987","0.003","27.309","0.004","90","","100.86","0.04","90","","1180.2","0.7","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Co O12 S2 -","- C16 H26 Co O12 S2 -","- C32 H52 Co2 O24 S4 -","2","0.5","FG1487","Melvin A. Leonard; Philip J. Squattrito; Surendra N. Dubey","Hexaaquametal(II) 4-styrenesulfonates of manganese, cobalt and nickel","Acta Crystallographica Section C","1999","55","1","35","39","10.1107/S0108270198010105","","","0.7107","MoKα","","","0.068","","","0.088","","","","","","","1.93","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008067","6.292","0.002","6.934","0.005","27.315","0.005","90","","100.68","0.04","90","","1171.1","1","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Ni O12 S2 -","- C16 H26 Ni O12 S2 -","- C32 H52 Ni2 O24 S4 -","2","0.5","FG1487","Melvin A. Leonard; Philip J. Squattrito; Surendra N. Dubey","Hexaaquametal(II) 4-styrenesulfonates of manganese, cobalt and nickel","Acta Crystallographica Section C","1999","55","1","35","39","10.1107/S0108270198010105","","","0.7107","MoKα","","","0.081","","","0.104","","","","","","","2.27","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008068","11.9156","0.0012","12.7033","0.0019","11.9651","0.0017","90","","100.415","0.01","90","","1781.3","0.4","293","1","293","1","","","","","","","","4","P 1 21 1","P 2yb","4","Pseudaconitine","[1α,6α,14α(E),16β]-20-Ethyl-1,6,16-trimethoxy-4-methoxymethyl-3,13- dihydroxyaconitane-8,14-diyl 8-acetate 14-(3',4'-dimethoxybenzoate)","","- C36 H51 N O12 -","- C36 H51 N O12 -","- C72 H102 N2 O24 -","2","1","FG1489","Parvez, Masood; Gul, Waseem; Atta-ur-Rahman; Choudhary, M. Iqbal; Nasreen, Amber; Fatima, Nuzhat","Pseudaconitine","Acta Crystallographica Section C","1999","55","1","72","74","10.1107/S0108270198010129","","","1.54178","CuKα","","0.069","0.057","","","","0.161","","","","","","1.044","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008069","10.8326","0.0007","14.3281","0.0015","10.976","0.003","90","","107.026","0.011","90","","1628.9","0.5","293","1","293","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Gliclazide","N-[(perhydrocyclopenta[c]pyrrol-2-yl)aminocarbonyl]-p-toluenesulfonamide","","- C15 H21 N3 O3 S -","- C15 H21 N3 O3 S -","- C60 H84 N12 O12 S4 -","4","1","FG1499","Parvez, Masood; Arayne, M. Saeed; Zaman, M. Kamran; Sultana, Najma","Gliclazide","Acta Crystallographica Section C","1999","55","1","74","75","10.1107/S0108270198009883","","","1.54178","CuKα","","0.066","0.053","","","","0.149","","","","","","1.019","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008070","15.593","0.003","15.596","0.009","20.041","0.006","90","","95.12","0.02","90","","4854","3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","25,27-dihydroxyethoxy-26,28-dipropoxy-tert-butyl-calix[4]arene","","- C54 H76 O6 -","- C54 H76 O6 -","- C216 H304 O24 -","4","1","FG1502","Nissinen, Maija; Parzuchowski, Pawel; Böhmer, Volker; Rokicki, Gabriel; Rissanen, Kari","25,27-Dihydroxyethoxy-26,28-dipropoxy-<i>tert</i>-butylcalix[4]arene","Acta Crystallographica Section C","1999","55","1","104","106","10.1107/S0108270198010221","","","0.71073","MoKα","","0.075","0.047","","","","0.14","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","301791","2025-08-18","23:15:32",""
"2008071","32.802","0.003","9.267","0.002","11.756","0.002","90","","108.93","0.01","90","","3380.3","1","293","1","293","1","","","","","","","","4","C 1 2 1","C 2y","5","indaconitine","","","- C35 H48.5 N1.5 O10 -","- C35 H48.5 N1.5 O10 -","- C140 H194 N6 O40 -","4","1","FG1503","Parvez, Masood; Gul, Waseem; Anwar, Saeed; Miana, Ghulam A.; Atta-ur-Rahman; Choudhary, M. Iqbal","Indaconitine 0.5-acetonitrile solvate","Acta Crystallographica Section C","1999","55","1","70","72","10.1107/S0108270198010130","","","1.54178","CuKα","","0.074","0.067","","0.188","0.179","","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2008072","7.1459","0.001","7.5905","0.0009","8.8515","0.0008","82.682","0.009","77.437","0.009","68.864","0.01","436.46","0.09","296","","296","","","","","","","","","4","P -1","-P 1","2","(1R*,7aS*)-hexahydro-7-carboxymethyl-3H-pyrrolizidin-3-one","1-(5-Oxo-2,3,5,6,7,7a-hexahydro-1H-pyrrolizinyl)acetic acid","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C18 H26 N2 O6 -","2","1","FG1513","Gerkin, Roger E.","Hydrogen bonding in [(1<i>R</i>*,7a<i>S</i>*)-hexahydro-5-oxo-1<i>H</i>-pyrrolizinyl-1-yl]acetic acid","Acta Crystallographica Section C","1999","55","1","84","87","10.1107/S0108270198010099","","","0.71073","MoKα","","","0.04","","","0.095","","","","","1.97","1.97","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008073","8.4254","0.0004","17.2278","0.0006","10.9291","0.0003","90","","96.164","0.002","90","","1577.2","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-benzoyl-1-ethyl-4-phenylpyrimidine-2-one","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","FR1134","Sema Öztürk; Mehmet Akkurt; İbrahim Abdul Razak; Hoong-Kun Fun; İsmail Yıldırım","5-Benzoyl-1-ethyl-4-phenyl-1<i>H</i>-pyrimidin-2-one","Acta Crystallographica Section C","1999","55","1","97","99","10.1107/S0108270198009822","","","0.71073","MoKα","","0.1788","0.0677","","0.121","0.0905","","","","1.009","1.204","1.204","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008074","7.864","0.002","6.964","0.002","24.361","0.006","90","","97.74","0.02","90","","1322","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Trans-Dicarbonyl(2,3,5,6-tetrafluorophenyl)bromo((5-cyclopentadienyl)rhenium (III)","","- C13 H6 Br F4 O2 Re -","- C13 H6 Br F4 O2 Re -","- C52 H24 Br4 F16 O8 Re4 -","4","1","FR1143","María Teresa Garland; Ricardo F. Baggio; A. Hugo Klahn; Beatriz Oëlckers","<i>trans</i>-Bromodicarbonyl(η^5^-cyclopentadienyl)(2,3,5,6-tetrafluorophenyl)rhenium(III)","Acta Crystallographica Section C","1999","55","1","61","62","10.1107/S0108270198011494","","","0.71073","MoKα","","0.049","0.034","","","","0.088","","","","","","1.011","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008075","21.479","0.004","10.569","0.002","16.807","0.003","90","","90","","90","","3815.4","1.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Trans-carbonylchlorobis(tri-p-tolylphosphine)rhodium(I)","","- C43 H42 Cl O P2 Rh -","- C43 H42 Cl O P2 Rh -","- C172 H168 Cl4 O4 P8 Rh4 -","4","1","GD1000","Otto, Stefanus; Mzamane, Sibusisiwe N.; Roodt, Andreas","<i>trans</i>-Carbonylchlorobis(tri-<i>p</i>-tolylphosphine)rhodium(I)","Acta Crystallographica Section C","1999","55","1","67","69","10.1107/S0108270198011603","","","0.71073","MoKα","","0.0416","0.0314","","","","0.0646","","","","","","1.163","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008076","8.2898","0.0002","9.752","0.0001","11.2391","0.0003","112.131","0.001","96.654","0.001","104.437","0.001","792.47","0.03","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","2,4,6-Triethyl-1,3,5-benzenetriacetonitrile","","- C18 H21 N3 -","- C18 H21 N3 -","- C36 H42 N6 -","2","1","GD1001","Walsdorff, Christian; Park, Ki-Min; Oh, Jinho; Kim, Kimoon","1,3,5-Tris(cyanomethyl)-2,4,6-triethylbenzene","Acta Crystallographica Section C","1999","55","1","108","110","10.1107/S0108270198011615","","","0.71073","MoKα","","0.0589","0.0505","","","","0.1464","","","","","","1.072","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008077","10.2979","0.0008","13.1101","0.0011","16.7038","0.0013","78.0476","0.0006","71.3989","0.0006","79.6493","0.0007","2075.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H58 N2 O4 -","- C22 H29 N O2 -","- C88 H116 N4 O8 -","4","2","GS1017","Elerman, Yalc̨in; Elmali, Ayhan; Kendi̇, Engin; Özbey, Süheyla","4-(2,5-Di-<i>tert</i>-butylphenylnitrilomethylidyne)-2-methoxyphenol","Acta Crystallographica Section C","1999","55","1","116","119","10.1107/S0108270198011573","","","0.71069","MoKα","","0.0833","0.0613","","0.162","0.133","","","","0.962","1.014","1.014","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008078","12.676","0.002","5.341","0.001","19.493","0.002","90","","107.42","0.01","90","","1259.2","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,3-bis(3-nitrophenyl)-1-triazene","1,3-bis(3-nitrophenyl)-1-triazene","","- C12 H9 N5 O4 -","- C12 H9 N5 O4 -","- C48 H36 N20 O16 -","4","1","HA1224","Zhang, De-Chun; Fei, Zheng-Hao; Zhang, Tian-Zhu; Zhang, Yan-Qiu; Yu, Kai-Bei","1,3-Bis(3-nitrophenyl)triazene","Acta Crystallographica Section C","1999","55","1","102","104","10.1107/S0108270198010415","","","0.71073","MoKα","","0.0658","0.0381","","0.1184","0.0923","","","","0.901","1.067","1.067","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008079","57.344","0.002","9.7802","0.0004","10.6263","0.0005","90","","90","","90","","5959.6","0.4","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","4-Methyl-7,7a,13a,14-tetrahydrobenzo[1,4]dioxino[2,3;6,7]naphtho[1,2-b] pyran-2-one.","","- C20 H16 O4 -","- C20 H16 O4 -","- C320 H256 O64 -","16","1","HA1226","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan; Ibrahim Abdul Razak","4-Methyl-7,7a,13a,14-tetrahydrobenzo[<i>e</i>]pyrano[2',3':5,6]naphtho[2,3-<i>b</i>][1,4]dioxin-2-one","Acta Crystallographica Section C","1999","55","1","91","92","10.1107/S0108270198010427","","","0.71073","MoKα","","0.1142","0.0653","","0.1547","0.1317","","","","1.042","1.134","1.134","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008080","8.0204","0.0003","27.1881","0.0011","8.942","0.0004","90","","106.332","0.001","90","","1871.21","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(3,5-dimethylpyrazole-N^2^)bis(thiocyanato-N)cobalt(II) monohydrate","","- C12 H18 Co N6 O S2 -","- C12 H18 Co N6 O S2 -","- C48 H72 Co4 N24 O4 S8 -","4","1","HA1228","Xiao-Feng Chen; Shu-Hua Liu; Xiao-Zeng You; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak","Bis(3,5-dimethylpyrazole-<i>N</i>^2^)bis(thiocyanato-<i>N</i>)cobalt(II) monohydrate","Acta Crystallographica Section C","1999","55","1","22","24","10.1107/S0108270198010142","","","0.71073","MoKα","","0.064","0.059","","0.135","0.132","","","","1.264","1.304","1.304","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008081","13.0323","0.0003","23.9443","0.0001","3.7927","0.0001","90","","90","","90","","1183.51","0.04","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-Aminopyrimidine-Terephthalic acid (1:1) complex","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C48 H44 N12 O16 -","4","0.5","HA1229","Shyamaprosad Goswami; Ajit Kumar Mahapatra; Kumaresh Ghosh; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun","2-Aminopyrimidine–terephthalic acid (1:1) complex","Acta Crystallographica Section C","1999","55","1","87","89","10.1107/S0108270198010749","","","0.71073","MoKα","","0.0532","0.0384","","0.1055","0.0939","","","","1.073","1.098","1.098","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008082","5.3172","0.0001","15.3099","0.0003","15.3406","0.0001","90","","91.846","0.001","90","","1248.17","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-5-methyl-3-(morpholinomethyl)benzaldehyde","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","HA1231","S.Shanmuga Sundara Raj; R.Thirumurugan; G.Shanmugam; Hoong-Kun Fun; J.Manonmani; M.Kandaswamy","2-Hydroxy-5-methyl-3-(morpholinomethyl)benzaldehyde, (I), and 4,4'-dimethyl-6,6'-bis(morpholinomethyl)-2,2'-(ethylenedinitrilodimethylidyne)diphenol, (II)","Acta Crystallographica Section C","1999","55","1","94","97","10.1107/S0108270198010750","","","0.71073","MoKα","","0.0667","0.049","","0.1487","0.1355","","","","1.07","1.143","1.143","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008083","11.1356","0.0005","9.5825","0.0005","12.4721","0.0006","90","","98.828","0.002","90","","1315.09","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Dimethyl-6,6'-bis(morpholinomethyl)-2,2'-ethylene dinitrilodimethylidyne)diphenol","","- C28 H38 N4 O4 -","- C28 H38 N4 O4 -","- C56 H76 N8 O8 -","2","0.5","HA1231","S.Shanmuga Sundara Raj; R.Thirumurugan; G.Shanmugam; Hoong-Kun Fun; J.Manonmani; M.Kandaswamy","2-Hydroxy-5-methyl-3-(morpholinomethyl)benzaldehyde, (I), and 4,4'-dimethyl-6,6'-bis(morpholinomethyl)-2,2'-(ethylenedinitrilodimethylidyne)diphenol, (II)","Acta Crystallographica Section C","1999","55","1","94","97","10.1107/S0108270198010750","","","0.71073","MoKα","","0.1268","0.0646","","0.1749","0.1392","","","","1.037","1.135","1.135","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008084","7.797","0.0006","9.4921","0.0007","9.7074","0.0007","89.506","0.002","74.124","0.002","79.242","0.002","678.21","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","o-Chlorobenzaldehyde Nicotinoylhydrazone Dihydrate","","- C13 H14 Cl N3 O3 -","- C13 H14 Cl N3 O3 -","- C26 H28 Cl2 N6 O6 -","2","1","HA1232","Zhong-lin Lu; Bei-sheng Kang; Hoong-Kun Fun; Ibrahim Abdul Razak; Kandasamy Chinnakali","<i>o</i>-Chlorobenzaldehyde nicotinoylhydrazone dihydrate","Acta Crystallographica Section C","1999","55","1","89","91","10.1107/S010827019801138X","","","0.71073","MoKα","","0.0798","0.0535","","","","0.1506","","","","","","1.043","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008085","9.3876","0.0001","12.4039","0.0002","12.755","0.0003","104.807","0.001","99.431","0.001","110.927","0.001","1286.54","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,2-bis(4-tert-butyl-pyridine-2-carboxamido)-4,5-dichlorobenzene","","- C26 H28 Cl2 N4 O2 -","- C26 H28 Cl2 N4 O2 -","- C52 H56 Cl4 N8 O4 -","2","1","HA1233","Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Zhen Shen; Jing-Lin Zuo; Xiao-Zeng You","<i>N</i>,<i>N</i>'-(4,5-Dichloro-<i>o</i>-phenylene)bis(4-<i>tert</i>-butylpyridine-2-carboxamide)","Acta Crystallographica Section C","1999","55","1","99","100","10.1107/S0108270198011445","","","0.71073","MoKα","","0.129","0.075","","","","0.176","","","","","","1.074","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008086","13.3256","0.0005","6.9775","0.0003","13.9402","0.0006","90","","113.881","0.002","90","","1185.19","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Methyl-4-amino-5-mercapto-1,2,4-triazole derivative of p-nitro phenylaldehyde","","- C10 H9 N5 O2 S -","- C10 H9 N5 O2 S -","- C40 H36 N20 O8 S4 -","4","1","HA1234","Yuan-Fang Liu; Suchada Chantrapromma; S. Shanmuga Sundara Raj; Hoong-Kun Fun; Yin-Han Zhang; Fu-Xin Xie; Yu-Peng Tian; Shi-Sheng Ni","4-Amino-3-methyl-1,2,4-triazole-5-thione derivative of <i>p</i>-nitrophenylaldehyde","Acta Crystallographica Section C","1999","55","1","93","94","10.1107/S0108270198010762","","","0.71073","MoKα","","0.1853","0.0773","","0.1687","0.1301","","","","1.036","1.23","1.23","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008087","17.174","0.003","8.9483","0.0016","22.132","0.004","90","","99.313","0.013","90","","3356.4","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","octacarbonyl-1κ^3^C,2κ^3^C,3κ^2^C-bis(μ~3~-3,3-diphenylallenylidene -1:2κ^2^C^1^:3(1,2-η^2^))-triangulo-triiron(0)(3 Fe‒Fe)","","- C38 H20 Fe3 O8 -","- C38 H20 Fe3 O8 -","- C152 H80 Fe12 O32 -","4","1","JZ1302","Zachara, Janusz; Zimniak, Andrzej","A new polymorph of a carbonyliron complex from tetraphenylhexapentaene: bis(μ~3~,η^2^,σ^2^-diphenylallenylidene)octacarbonyltriiron","Acta Crystallographica Section C","1999","55","1","58","60","10.1107/S010827019801107X","","","0.71073","MoKα","","0.037","0.029","","0.074","0.071","0.074","","","1.033","","","1.033","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008088","10.2987","0.0008","10.1307","0.0006","11.1151","0.0008","90","","115.338","0.007","90","","1048.11","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3,-Diamino-5-ammonio-1,3,5-trideoxy-cis-inositol iodide","","- C6 H16 I N3 O3 -","- C6 H16 I N3 O3 -","- C24 H64 I4 N12 O12 -","4","1","JZ1311","Guido J. Reiß; Kaspar Hegetschweiler; Jürgen Sander","1,3-Diamino-5-ammonio-1,3,5-trideoxy-<i>cis</i>-inositol iodide","Acta Crystallographica Section C","1999","55","1","123","126","10.1107/S0108270198009974","","","0.71073","MoKα","","0.027","0.025","","","","0.058","","","","","","1.079","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008089","15.0798","0.0016","7.5653","0.0005","12.6522","0.0014","90","","114.212","0.011","90","","1316.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Polymeric aqua(N-ethylurea-O)(N-pyruvidene-β-alaninato-O,N,O')copper(II)","","- C9 H17 Cu N3 O6 -","- C9 H17 Cu N3 O6 -","- C36 H68 Cu4 N12 O24 -","4","1","JZ1313","Warda, Salam A.","Polymeric aqua(<i>N</i>-ethylurea-<i>O</i>)(<i>N</i>-pyruvidene-β-alaninato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1999","55","1","52","54","10.1107/S0108270198010166","","","0.71073","MoKα","","","0.029","","","","0.059","","","","","","0.903","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008090","8.0916","0.0009","8.0916","0.0009","30.078","0.004","90","","90","","90","","1969.3","0.4","293","2","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","2-(2-Pyrrolyl)-benzothiazole","","- C11 H8 N2 S -","- C11 H8 N2 S -","- C88 H64 N16 S8 -","8","1","KA1289","Davidović, Naka; Matković-Čalogović, Dubravka; Popović, Zora; Fišer-Jakić, Lelja","2-(2-Pyrrolyl)-1,3-benzothiazole","Acta Crystallographica Section C","1999","55","1","119","120","10.1107/S0108270198011731","","","0.71073","MoKα","","0.2326","0.0552","","","","0.0865","","","","","","0.899","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008091","21.331","0.004","12.203","0.002","20.881","0.004","90","","92.26","0.03","90","","5431.1","1.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","(FN2O4)2","35,44-difluoro-6,9,23,26,38,41,47,50-octaoxa-3,12,20,29-tetraaza- pentacyclo[29.8(3,12)8(20,29)3(1,31)1(1,31)1(14,18)]dopentaconta -14,16,18(44),31,33,1(35)-hexene","","- C42 H62 Cs2 F8 N4 O14 S2 -","- C42 H62 Cs2 F8 N4 O14 S2 -","- C168 H248 Cs8 F32 N16 O56 S8 -","4","0.5","KA1299","Plenio, Herbert; Hermann, Jorg","A cylindrical macrocycle with two caesium cations sandwiched between two diaza-18-crown-6 macrocycles","Acta Crystallographica Section C","1999","55","1","62","64","10.1107/S0108270198011755","","","0.71069","MoKα","","0.0588","0.0365","","","","0.107","","","","","","1.046","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008092","7.3502","0.0013","12.0783","0.0015","12.476","0.007","80.28","0.03","79.53","0.03","72.713","0.013","1032.1","0.6","293","","","","","","","","","","","6","P -1","-P 1","2","","Chloro-(N,N'-bis(2-methylpyridyl)-1,5-diazacyclooctane) nickel(II) perchlorate","","- C18 H24 Cl2 N4 Ni O4 -","- C18 H24 Cl2 N4 Ni O4 -","- C36 H48 Cl4 N8 Ni2 O8 -","2","1","LN1060","Bu, Xian-He; Fang, Ya-Yin; Shang, Zhi-Liang; Zhang, Ruo-Hua; Zhu, Hong-Ping; Liu, Qiu-Tian","[1,5-Bis(2-pyridylmethyl-<i>N</i>)-1,5-diazacyclooctane-<i>N</i>,<i>N</i>']chloronickel(II) perchlorate","Acta Crystallographica Section C","1999","55","1","39","41","10.1107/S0108270198010841","","","0.71073","MoKα","","","0.0481","","","0.0609","","","","","","","1.21","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008093","7.532","0.005","13.278","0.002","23.7103","0.001","90","","90","","90","","2371.3","1.6","122","0.5","122","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(2-nitrophenyl)-4-phenylbutadiyne","","- C16 H9 N O2 -","- C16 H9 N O2 -","- C128 H72 N8 O16 -","8","1","LN1068","Hanne Skov Bengaard; Sine Larsen; Henning Osholm Sørensen; Kathryn J. Robinson; John D. Wallis","Interaction between an oxygen and an alkynyl-carbon atom in 1-(2-nitrophenyl)-4-phenylbutadiyne","Acta Crystallographica Section C","1999","55","1","106","108","10.1107/S0108270198010853","","","1.5418","CuKα","","0.0385","0.0364","","0.0888","0.0885","","","","3.456","3.572","3.572","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008094","8.956","0.002","11.76","0.003","8.781","0.002","103.2","0.03","108.6","0.04","91.4","0.03","848.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-Methylpiperazinium Trichloro(N-methylpiperazine-N^1^)cobaltate(II)","","- C10 H25 Cl3 Co N4 -","- C10 H25 Cl3 Co N4 -","- C20 H50 Cl6 Co2 N8 -","2","1","NA1379","Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni","Cobalt(II) complexes of piperazine and derivatives: 1-methylpiperazin-4-ium trichloro(1-methylpiperazine-<i>N</i>^4^)cobaltate(II)","Acta Crystallographica Section C","1999","55","1","43","46","10.1107/S0108270198009603","","","0.7107","MoKα","","0.055","0.033","","0.097","0.086","","","","1.073","1.097","1.097","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008095","12.406","0.002","14.313","0.002","15.299","0.002","90","","90","","90","","2716.6","0.7","300","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","(R)-1,1'-binaphthyl-2,2'-diol-(R,R)-1,2-cyclohexanediamine-toluene (1/1/1)","","","- C33 H36 N2 O2 -","- C33 H44 N2 O2 -","- C132 H176 N8 O8 -","4","0.5","OA1035","Fukushima, Shigeru; Hosomi, Hiroyuki; Ohba, Shigeru; Kawashima, Masatoshi","Diastereomeric complexes of 1,1'-binaphthyl-2,2'-diol and (<i>R</i>,<i>R</i>)-1,2-cyclohexanediamine","Acta Crystallographica Section C","1999","55","1","120","123","10.1107/S010827019800105X","","","0.71073","MoKα","","","0.076","","","","0.086","","","","","","1.41","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008096","8.056","0.001","13.552","0.001","10.822","0.001","90","","111.53","0.01","90","","1099.1","0.2","300","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2,2'-dihydroxy-1,1'-binaphthyl (R,R)-1,2-cyclohexanediamine","","","- C26 H28 N2 O2 -","- C26 H28 N2 O2 -","- C52 H56 N4 O4 -","2","1","OA1035","Fukushima, Shigeru; Hosomi, Hiroyuki; Ohba, Shigeru; Kawashima, Masatoshi","Diastereomeric complexes of 1,1'-binaphthyl-2,2'-diol and (<i>R</i>,<i>R</i>)-1,2-cyclohexanediamine","Acta Crystallographica Section C","1999","55","1","120","123","10.1107/S010827019800105X","","","0.71073","MoKα","","","0.056","","","","0.065","","","","","","1","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008097","12.146","0.003","12.682","0.006","10.842","0.008","115.26","0.04","93.17","0.04","86.49","0.03","1506.7","1.5","295","","295","","","","","","","","","6","P 1","P 1","1","","","","- C27 H37 N3 O4 S3 Zn -","- C27 H37 N3 O4 S3 Zn -","- C54 H74 N6 O8 S6 Zn2 -","2","2","OA1049","Nakai, Hiroshi; Kobayashi, Shinobu; Ozaki, Mamoru; Hayase, Yoshio; Takeda, Reiji","Micacocidin A","Acta Crystallographica Section C","1999","55","1","54","56","10.1107/S0108270198010920","","","0.7107","MoKα","","0.055","0.055","","","","0.065","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008098","15.146","0.006","10.936","0.004","4.328","0.001","90","","97.5","0.02","90","","710.7","0.4","296","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C7 H6 N4 -","- C7 H6 N4 -","- C28 H24 N16 -","4","1","OA1063","Takehiro Matsunaga; Yoshio Ohno; Yoshiaki Akutsu; Mitsuru Arai; Masamitsu Tamura; Mitsuaki Iida","1-Phenyltetrazole","Acta Crystallographica Section C","1999","55","1","129","131","10.1107/S0108270198009718","","","0.71073","MoKα","","","0.053","","","","0.041","","","","","","1.406","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008099","19.87","0.007","4.731","0.007","14.813","0.007","90","","121.98","0.04","90","","1181","2","296.2","","296.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","β phthalocyanine","","- C32 H18 N8 -","- C32 H18 N8 -","- C64 H36 N16 -","2","0.5","OA1066","Shinya Matsumoto; Keiji Matsuhama; Jin Mizuguchi","β Metal-free phthalocyanine","Acta Crystallographica Section C","1999","55","1","131","133","10.1107/S0108270198011020","","","0.7107","MoKα","","0.1018","0.0552","","0.0688","0.0592","","","","1.124","1.182","1.182","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008100","4.1662","0.0003","4.1662","0.0003","8.2085","0.0007","90","","90","","90","","142.477","0.019","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Nb3.47 O6 Ti0.53 -","- Ba Nb3.466 O6 Ti0.534 -","- Ba Nb3.466 O6 Ti0.534 -","1","0.0625","OS1024","Svensson, Gunnar; Eriksson, Lars","BaNb~4-<i>x~</i>Ti~<i>x~</i>O~6~ (<i>x</i> = 0.53)","Acta Crystallographica Section C","1999","55","1","17","19","10.1107/S0108270198010932","","","0.71073","MoKα","","0.021","0.016","","0.028","","0.027","","","1.128","","","1.185","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008101","8.2535","0.0001","9.2084","0.0001","5.161","0.0001","90","","90","","90","","392.244","0.01","293","","293","","","","","","","","","4","I m m 2","I 2 -2","44","","","","- Ba Ca Ga4 O8 -","- Ba Ca Ga4 O8 -","- Ba2 Ca2 Ga8 O16 -","2","0.25","OS1030","Shun-ich Kubota; Hisanori Yamane; Masahiko Shimada","A powder diffraction study of BaCaGa~4~O~8~","Acta Crystallographica Section C","1999","55","1","14","17","10.1107/S0108270198010178","","","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008102","27.447","0.009","20.311","0.006","18.718","0.005","90","","90","","90","","10435","5","193","2","193","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","aquatetrakis[(4-chlorobenzoato)-μ~3~-(2-dimethylaminoethanolato)- copper(II)] hydrate","","- C44 H60 Cl4 Cu4 N4 O14 -","- C44 H60 Cl4 Cu4 N4 O14 -","- C352 H480 Cl32 Cu32 N32 O112 -","8","1","OS1032","Turpeinen, Urho; Hämälänen, Reijo; Mutikainen, Ilpo","Aquatetrakis[(4-chlorobenzoato)(μ~3~-2-dimethylaminoethanolato)copper(II)] hydrate","Acta Crystallographica Section C","1999","55","1","50","52","10.1107/S0108270198011457","","","0.71073","MoKα","","0.114","0.075","","","0.133","0.147","","","","","","1.031","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008103","12.3698","0.0005","12.3698","0.0005","49.306","0.003","90","","90","","90","","7544.4","0.6","100","2","100","2","","","","","","","","6","P 41","P 4w","76","Ru-bis(terpyridine)(PF~6~)~2~","Bis(2,2',6':2''-terpyridine)Ru(II)(PF~6~)~2~ acetonitrile solvate","","- C34 H28 F12 N8 P2 Ru -","- C34 H28 F12 N8 P2 Ru -","- C272 H224 F96 N64 P16 Ru8 -","8","2","OS1037","Kianosh Lashgari; Mikael Kritikos; Rolf Norrestam; Thomas Norrby","Bis(terpyridine)ruthenium(II) bis(hexafluorophosphate) diacetonitrile solvate","Acta Crystallographica Section C","1999","55","1","64","67","10.1107/S0108270198011378","","","0.71073","MoKα","","0.0579","0.0543","","","","0.1481","","","","","","1.064","","","","has coordinates,has disorder","301791","2025-08-18","23:15:32",""
"2008104","10.794","0.003","5.054","0.002","27.143","0.01","90","","90.26","0.05","90","","1480.7","0.9","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(2SR,5RR,6RR,9SR)-1,2,5,6,9,10-hexachlorodecane","","- C10 H16 Cl6 -","- C10 H16 Cl6 -","- C40 H64 Cl24 -","4","0.5","QA0048","Frenzen, Gerlinde; Sippel, Heike; Coelhan, Mehmet","The relative configuration of a stereoisomer of 1,2,5,6,9,10-hexachlorodecane","Acta Crystallographica Section C","1999","55","1","IUC9800079","","10.1107/S0108270199099965","","","0.71073","MoKα","","0.068","0.051","","","","0.146","","","","","","1.062","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008105","7.0459","0.0014","9.3399","0.0014","12.913","0.003","90","","92.72","0.02","90","","848.8","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","m-Azidobenzensulfonyl chloride","","- C6 H4 Cl N3 O2 S -","- C6 H4 Cl N3 O2 S -","- C24 H16 Cl4 N12 O8 S4 -","4","1","QA0068","Ziemer, Burkhard; Sauer, Erika","<i>m</i>-Azidobenzenesulfonyl chloride","Acta Crystallographica Section C","1999","55","1","IUC9800074","","10.1107/S0108270199099953","","","0.71073","MoKα","","0.037","0.032","","0.094","0.086","","","","1.037","1.079","1.079","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008106","11.329","0.003","6.6648","0.0016","12.995","0.003","90","","112.821","0.016","90","","904.4","0.4","120","2","120","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","6,7-Dimethyltricyclo[3.2.2.0]non-6-ene","","- C11 H16 -","- C11 H16 -","- C44 H64 -","4","1","QA0072","Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","6,7-Dimethyltricyclo[3.2.2.0]non-6-ene at 120 K, a [3.2.2]propellane derivative","Acta Crystallographica Section C","1999","55","1","IUC9800075","","10.1107/S0108270199099941","","","0.71073","MoKα","","0.0546","0.0467","","","","0.1347","","","","","","1.056","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008107","13.455","0.005","30.61","0.01","6.694","0.005","90","","90","","90","","2757","2","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2R,5S,7R,8R)-2,6,6,8-tetramethyl-8-hydroxy tricyclo[5.3.1^1,7^.0^1,5^]undecan-9-one","","- C30 H48 O4 -","- C30 H48 O4 -","- C120 H192 O16 -","4","1","QA0073","Ai, Hui; Song, Yi-Lin; Tao, Feng-Gang","8-Hydroxycedran-9-one","Acta Crystallographica Section C","1999","55","1","IUC9800080","","10.1107/S010827019909993X","","","0.7107","MoKα","","","0.056","","","0.057","","","","","1.73","1.73","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008108","8.649","0.002","9.679","0.002","15.721","0.002","90","","94.82","0.01","90","","1311.4","0.4","293.2","","293.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 O2 S5 -","- C12 H4 O2 S5 -","- C48 H16 O8 S20 -","4","1","QA0074","Ueda, Kazumasa; Iwamatsu, Masaki; Sugimoto, Toyonari","1,3,4,6-Tetrathiapentalene-5-spiro-2'-indan-2,1',3'-trione and its 2-thione analogue","Acta Crystallographica Section C","1999","55","1","IUC9800077","","10.1107/S0108270199099928","","","1.5418","CuKα","","0.041","0.041","","","","0.061","","","","","","1.272","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008109","7.946","0.004","10.2","0.003","15.638","0.003","90","","104.3","0.02","90","","1228.2","0.8","293.2","","293.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H4 O3 S4 -","- C12 H4 O3 S4 -","- C48 H16 O12 S16 -","4","1","QA0074","Ueda, Kazumasa; Iwamatsu, Masaki; Sugimoto, Toyonari","1,3,4,6-Tetrathiapentalene-5-spiro-2'-indan-2,1',3'-trione and its 2-thione analogue","Acta Crystallographica Section C","1999","55","1","IUC9800077","","10.1107/S0108270199099928","","","1.5418","CuKα","","0.039","0.039","","","","0.06","","","","","","1.312","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008110","11.15","0.002","9.028","0.002","25.637","0.005","90","","91.37","0.03","90","","2579.9","0.9","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","(ClN2O4)2 - 2AgCF3SO3","μ-[35,44-dichloro-6,9,23,26,38,41,47,50-octaoxa-3,12,20,29-tetraaza- pentacyclo[29.8^3,12^.8^20,29^.3^1,31^.1^1,31^.1^14,18^]dopentaconta -14,16,18(44),31,33,1(35)-hexene]disilver(I) bis(triflate)","","- C42 H62 Ag2 Cl2 F6 N4 O14 S2 -","- C42 H62 Ag2 Cl2 F6 N4 O14 S2 -","- C84 H124 Ag4 Cl4 F12 N8 O28 S4 -","2","0.5","QA0077","Plenio, Herbert; Diodone, Ralph","A cylindrical macrocycle with two diaza-18-crown-6 macrocycles encapsulating two silver cations","Acta Crystallographica Section C","1999","55","1","IUC9800081","","10.1107/S0108270199099990","","","0.71069","MoKα","","0.038","0.028","","","","0.072","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","301791","2025-08-18","23:15:32",""
"2008111","12.2502","0.0016","6.5155","0.0011","12.415","0.002","90","","108.866","0.011","90","","937.7","0.3","120","2","120","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","Tricarbonyl(2,3,6,7-η)-(2,3-diylidenfurane)-iron(0)","","- C9 H6 Fe O4 -","- C9 H6 Fe O4 -","- C36 H24 Fe4 O16 -","4","1","QA0078","Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","Tricarbonyl[(2,3,6,7-η)-2,3-dimethylene-2,3-dihydrofuran]iron(0) at 120K","Acta Crystallographica Section C","1999","55","1","IUC9800082","","10.1107/S0108270199099989","","","0.71073","MoKα","","0.031","0.03","","","","0.081","","","","","","1.154","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008112","8.146","0.001","8.927","0.001","9.29","0.001","101.14","0.01","100.95","0.01","102.78","0.01","627.01","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-phenoxymethanesulfonanilide","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C26 H26 N2 O6 S2 -","2","1","QB0069","Chandramohan, Kattamuri; Ravikumar, Krishnan","A nimesulide intermediate","Acta Crystallographica Section C","1999","55","1","IUC9800078","","10.1107/S0108270199099916","","","0.71073","MoKα","","0.051","0.04","","0.116","0.108","","","","1.036","1.06","1.06","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008113","15.193","0.002","15.193","0.002","17.273","0.003","90","","90","","90","","3987.1","1","100","","100","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","Bis(μ-hydroxo)tris(trimethyltin) iodide","","- C9 H29 I O2 Sn3 -","- C9 H29 I O2 Sn3 -","- C72 H232 I8 O16 Sn24 -","8","0.5","QB0070","Saurage, Andrea S.; Billodeaux, Damon R.; Hammer, Robert P.; Fronczek, Frank R.","Di-μ-hydroxo-tris(trimethyltin) iodide at 100K","Acta Crystallographica Section C","1999","55","1","IUC9800076","","10.1107/S0108270199099977","","","0.71073","MoKα","","0.061","0.034","","","","0.072","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008114","9.0306","0.001","6.6484","0.001","12.8","0.002","90","","96.88","0.01","90","","762.97","0.19","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Potassium bromoaurate","Potassium tetrabromoaurate III","","- Au Br4 K -","- Au Br4 K -","- Au4 Br16 K4 -","4","1","SK1203","Omrani, Hedi; Welter, Richard; Vangelisti, Rene","Potassium tetrabromoaurate(III)","Acta Crystallographica Section C","1999","55","1","13","14","10.1107/S010827019801110X","","","0.5608","AgKα","","0.09","0.042","","","","0.101","","","","","","1.032","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008115","14.936","0.001","14.936","0.001","9.913","0.001","90","","90","","120","","1915.2","0.3","293","","293","","","","","","","","","5","P -3","-P 3","147","","(1,4,7-Tris(3-tert-butyl-5-methyl-2-hydroxybenzyl)-1,4, 7-triazacyclononanato-N,N',N'',O,O',O'')chromium(III)","","- C42 H60 Cr N3 O3 -","- C42 H60 Cr N3 O3 -","- C84 H120 Cr2 N6 O6 -","2","0.333333","SK1214","Martin, Lisandra L.; Taylor, Max R.; Bei Wu","[1,4,7-Tris(3-<i>tert</i>-butyl-5-methyl-2-hydroxybenzyl)-1,4,7-triazacyclononanato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>,<i>O</i>',<i>O</i>'']chromium(III)","Acta Crystallographica Section C","1999","55","1","41","43","10.1107/S0108270198010956","","","0.71073","MoKα","","0.074","0.062","","0.095","0.091","","","","1.237","1.247","1.247","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008116","9.202","0.001","18.87","0.003","19.138","0.002","90","","90","","90","","3323.2","0.7","298","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O2 S2 -","- C18 H19 N O2 S2 -","- C144 H152 N8 O16 S16 -","8","1","SK1227","Hökelek, Tuncer; Patır, Süleyman; Uludağ, Nesi̇mi̇","9-Acetonyl-3-ethylidene-1,2,3,4-tetrahydrospiro[carbazole-1,2'-[1,3]dithiolan]-4-one","Acta Crystallographica Section C","1999","55","1","114","116","10.1107/S0108270198011019","","","0.71073","MoKα","","","0.038","","","0.048","","","","","1.22","1.22","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008117","13.7343","0.0002","6.1274","0.0002","25.2459","0.0007","90","","92.277","0.001","90","","2122.91","0.1","203","2","203","2","","","","","","","","3","C 1 2 1","C 2y","5","Scalarolide","12β-hydroxyscalar-17-en-20,19-olide","","- C25 H38 O3 -","- C25 H38 O3 -","- C100 H152 O12 -","4","1","SX1072","Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Yang, Xiao-Shuang","Scalarolide and scalarin, sesterterpenes from Cacospongia and Ircinia sponges","Acta Crystallographica Section C","1999","55","1","112","114","10.1107/S0108270198011305","","","0.71073","MoKα","","0.1057","0.085","","","0.226","0.2453","","","","","","1.072","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008118","6.3833","0.0003","10.9108","0.0006","37.2967","0.0019","90","","90","","90","","2597.6","0.2","203","2","203","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Scalarin","12α-acetoxy-19α-hydroxyscalar-19,20-olide methanol solvate","","- C28 H44 O6 -","- C28 H44 O6 -","- C112 H176 O24 -","4","1","SX1072","Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Yang, Xiao-Shuang","Scalarolide and scalarin, sesterterpenes from Cacospongia and Ircinia sponges","Acta Crystallographica Section C","1999","55","1","112","114","10.1107/S0108270198011305","","","0.71073","MoKα","","0.0934","0.0565","","","","0.1346","","","","","","1.076","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008119","9.233","0.005","12.952","0.003","13.943","0.005","90","0.3","105.93","0.01","90","","1603.4","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acid","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C68 H100 N4 O12 -","4","1","VJ1085","S. Deepthi; Vasantha Pattabhi; K.Nagarajan","1-Isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acid","Acta Crystallographica Section C","1999","55","1","100","102","10.1107/S0108270198010373","","","1.5418","CuKα","","0.0421","0.0361","","0.108","0.1031","","","","1.102","1.142","1.142","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008120","7.713","0.002","8.674","0.001","28.325","0.006","90","","90","","90","","1895","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ter-butoxy carbonyl L-Leucyl-L-Threonyl amide","","- C15 H29 N3 O5 -","- C15 H28 N3 O5 -","- C60 H112 N12 O20 -","4","1","VJ1089","S. Banumathi; D. Velmurugan; E. Subramanian; N. Ashish; R. Kishore","<i>tert</i>-Butoxycarbonyl-<small>L</small>-leucyl-<small>L</small>-threoninamide","Acta Crystallographica Section C","1999","55","1","78","79","10.1107/S0108270198010385","","","1.5418","CuKα","","0.0619","0.059","","","","0.1759","","","","","","1.008","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008121","6.462","0.001","33.014","0.007","10.457","0.002","90","","93.3","0.03","90","","2227.2","0.7","183","2","183","2","","","","","","","","3","P 1 21 1","P 2yb","4","isoavarol diacetate","2-(perhydro-1,2,4a-trimethyl-5-methylene-1-naphthylmethyl)-p-phenylene diacetate","","- C25 H34 O4 -","- C25 H34 O4 -","- C100 H136 O16 -","4","2","AV1024","Ilyin, Sergey G.; Shubina, Larisa K.; Stonik, Valentine A.; Antipin, Michael Yu.","Isoavarol diacetate","Acta Crystallographica Section C","1999","55","2","266","268","10.1107/S0108270198010993","","","0.71069","MoKα","","0.084","0.05","","0.076","","0.066","","","3.555","","","3.385","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008122","5.621","0.001","8.766","0.001","4.797","0.001","90","","90","","90","","236.37","0.07","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","cobalt ammonium hydrate phosphate","","- Co H6 N O5 P -","- Co H6 N O5 P -","- Co2 H12 N2 O10 P2 -","2","0.5","AV1025","Yakubovich, Olga V.; Karimova, Oksana V.; Dimitrova, Olga V.; Massa, Werner","Layer structure of (NH~4~)CoPO~4~","Acta Crystallographica Section C","1999","55","2","151","153","10.1107/S0108270198011639","","","0.71073","MoKα","","0.0152","0.0145","","","","0.0368","","","","","","1.145","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008123","14.348","0.006","11.493","0.006","13.936","0.006","90","","95.43","0.04","90","","2287.8","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4,4'-bipyridine)bis(1,3-diaminopropane)nickel(II) perchlorate","","- C16 H28 Cl2 N6 Ni O8 -","- C16 H28 Cl2 N6 Ni O8 -","- C64 H112 Cl8 N24 Ni4 O32 -","4","0.5","BK1408","Tong, Ye-Xiang; Tong, Ming-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming","<i>catena</i>-Poly[[[bis(1,3-diaminopropane-<i>N</i>,<i>N</i>')nickel(II)]-μ-(4,4'-bipyridine-<i>N</i>:<i>N</i>')] diperchlorate]","Acta Crystallographica Section C","1999","55","2","180","182","10.1107/S0108270198011482","","","0.71073","MoKα","","0.046","0.035","","0.091","0.084","","","","1.07","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008124","9.2836","0.0012","11.4842","0.0013","13.7777","0.0012","106.896","0.002","90.436","0.003","93.93","0.002","1401.6","0.3","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 N12 O41 Sm2 -","- C42 H30 N12 O42 Sm2 -","- C42 H30 N12 O42 Sm2 -","1","0.5","BM1246","Arici, Cengiz; Ülkü, Dinçer; Tahir, M. Nawaz; Ünaleroḡlu, Canan","Samarium 3,5-dinitrobenzoate dihydrate","Acta Crystallographica Section C","1999","55","2","198","200","10.1107/S0108270198012323","","","0.71073","MoKα","","","0.035","","","0.038","","","","","1.12","1.12","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008125","9.088","0.002","8.108","0.002","10.505","0.002","90","","102.14","0.01","90","","756.8","0.3","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 N2 O3 S -","- C5 H10 N2 O3 S -","- C20 H40 N8 O12 S4 -","4","1","BM1255","Kennedy, Alan R.; Skellern, Graham G.; Pfirrmann, Rolf W.; Smail, Gordon A.; Shankland, Norman; Florence, Alastair J.","Two new compounds by reaction of taurolidine with methylene glycol","Acta Crystallographica Section C","1999","55","2","232","234","10.1107/S0108270198008415","","","0.71069","MoKα","","0.111","0.048","","0.058","0.051","","","","","1.578","1.578","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008126","14.53","0.001","8.0567","0.0008","15.928","0.002","90","","101.642","0.008","90","","1826.2","0.3","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 N6 O6 S3 -","- C12 H24 N6 O6 S3 -","- C48 H96 N24 O24 S12 -","4","1","BM1255","Kennedy, Alan R.; Skellern, Graham G.; Pfirrmann, Rolf W.; Smail, Gordon A.; Shankland, Norman; Florence, Alastair J.","Two new compounds by reaction of taurolidine with methylene glycol","Acta Crystallographica Section C","1999","55","2","232","234","10.1107/S0108270198008415","","","0.71069","MoKα","","0.067","0.038","","0.058","0.054","","","","","1.972","1.972","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008127","10.6849","0.0002","15.7703","0.0004","17.7065","0.0004","89.543","0.001","72.857","0.001","71.607","0.001","2693.49","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Trichloro(1,1'-bis(diphenylphosphine oxide)methane-p',p'')antimony(III)","","- C25 H22 Cl3 O2 P2 Sb -","- C25 H22 Cl3 O2 P2 Sb -","- C100 H88 Cl12 O8 P8 Sb4 -","4","2","BM1263","Ibrahim Abdul Razak; Hoong-Kun Fun; Bohari M. Yamin; Kandasamy Chinnakali; Hasbullah Zakaria; Norismaliza Binti Ismail","Trichloro[methylenebis(diphenylphosphine oxide-<i>O</i>)]antimony(III)","Acta Crystallographica Section C","1999","55","2","172","174","10.1107/S0108270198012335","","","0.71073","MoKα","","0.045","0.035","","","","0.081","","","","","","1.095","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008128","12.316","0.002","9.606","0.002","18.296","0.003","90","","103.77","0.02","90","","2102.3","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Flemiculosin","6-cinnamoyl-5-hydroxy-2,2,8,8-tetramethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","1","BM1267","Bhattacharyya, Kinkini; Mazumdar, Sunil Kumar; Bocelli, Gabriele; Cantoni, Andrea; Ray, Anil B; Neogi, Partha; Mazumdar, Gauri","Flemiculosin, a novel chalcone","Acta Crystallographica Section C","1999","55","2","215","217","10.1107/S0108270198011421","","","1.54178","CuKα","","0.0814","0.0583","","0.2302","0.1838","","","","1.003","1.103","1.103","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008129","7.2264","0.0009","8.025","0.0018","16.5902","0.0012","90","","92.052","0.008","90","","961.5","0.3","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","BM1270","Finnie, Stuart; Kennedy, Alan R.; Prasad, Korlakunte V. R.; Ristic, Radoljub I.; Sheen, David B.; Sherwood, John N.","<i>para</i>-Acetoxyacetanilide","Acta Crystallographica Section C","1999","55","2","234","236","10.1107/S0108270198012852","","","0.71069","MoKα","","0.1146","0.0436","","","","0.1467","","","","","","0.997","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008130","7.3402","0.0013","8.7066","0.0013","11.179","0.002","70.591","0.016","81.513","0.018","71.158","0.017","637.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H14 Cu O12 -","- C7 H14 Cu O12 -","- C14 H28 Cu2 O24 -","2","1","BM1282","Manojlović-Muir, Ljubica; Muir, Kenneth W.; Campbell, Robert A.; McKendrick, John E.; Robins, David J.","Pentaaqua(chelidonato-<i>O</i>^4^)copper(II) monohydrate","Acta Crystallographica Section C","1999","55","2","178","180","10.1107/S0108270198011895","","","0.71073","MoKα","","0.034","0.032","","","","0.088","","","","","","1.089","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008131","10.857","0.003","11.2892","0.0009","18.5162","0.0009","90","","90","","90","","2269.5","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-benzyl-2-hydroxycyclohexanone","","- C13 H16 O2 -","- C13 H16 O2 -","- C104 H128 O16 -","8","1","BM1297","McCullough, Kevin J.; Perner, Iris; Rosair, Georgina M.","2-Benzyl-2-hydroxycyclohexanone","Acta Crystallographica Section C","1999","55","2","268","270","10.1107/S0108270198013869","","","0.71073","MoKα","","0.0882","0.0493","","","","0.135","","","","","","1.015","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008132","5.710728","0.000016","5.710728","0.000016","21.44383","0.0001","90","","90","","120","","605.642","0.004","295","","295","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ba3 Mn2 O8 -","- Ba3 Mn2 O8 -","- Ba9 Mn6 O24 -","3","0.0833333","BR1210","Weller, Mark T.; Skinner, Stephen J.","Ba~3~Mn~2~O~8~ determined from neutron powder diffraction","Acta Crystallographica Section C","1999","55","2","154","156","10.1107/S0108270198011871","","neutron","","neutron","","","0.064","","","0.07","","","","","1.7","1.7","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008133","6.777","0.001","4.915","0.001","8.455","0.002","90","","91.11","0.03","90","","281.57","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","ammonium oxovanadium(IV) phosphate ammonia","ammonium oxovanadium(IV) phosphate ammonia","","- H7 N2 O5 P V -","- H7 N2 O5 P V -","- H14 N4 O10 P2 V2 -","2","1","BR1216","Fratzky, Dietmar; Worzala, Horst; Goetze, Thomas; Meisel, Manfred","NH~4~VO(NH~3~)PO~4~","Acta Crystallographica Section C","1999","55","2","156","157","10.1107/S0108270198011123","","","0.71073","MoKα","","0.05","0.034","","","","0.07","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008134","7.756","0.006","17.107","0.002","6.09","0.002","90","","90","","90","","808","0.7","296","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 N2 O4 -","- C6 H10 N2 O4 -","- C24 H40 N8 O16 -","4","1","CF1254","Okabe, Nobuo; Adachi, Yukari","(<i>S</i>)-2-Hydroxy-3-(1<i>H</i>-imidazol-5-yl)propanoic acid hydrate","Acta Crystallographica Section C","1999","55","2","217","218","10.1107/S0108270198012542","","","0.71069","MoKα","","","0.06","","","0.107","","","","","1.44","1.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008135","20.745","0.002","9.921","0.001","9.232","0.001","90","","101.15","0.01","90","","1864.2","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N8 O2 -","- C20 H18 N8 O2 -","- C80 H72 N32 O8 -","4","1","CF1258","Nieuwenhuyzen, M.; Keirse, R.; Shaw, B.; Vos, J. G.","A 2:1 co-crystal of 5-(2-pyridyl)-1<i>H</i>-1,2,4-triazole and 1,4-dihydroxybenzene","Acta Crystallographica Section C","1999","55","2","264","266","10.1107/S0108270198012359","","","0.71073","MoKα","","0.053","0.038","","0.095","0.085","","","","1.04","1.062","1.062","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008136","7.442","0.001","18.29","0.001","10.284","0.001","90","","104.74","0.01","90","","1353.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","trans-diaquabis(nicotinamide-N)bis(salicylato-O)copper(II)","","- C26 H26 Cu N4 O10 -","- C26 H26 Cu N4 O10 -","- C52 H52 Cu2 N8 O20 -","2","1","CF1276","Petrovčič, Nina; Kozlevčar, Bojan; Golič, Ljubo; Leban, Ivan; Šegedin, Primož","<i>trans</i>-Diaquabis(nicotinamide-<i>N</i>)bis(salicylato-<i>O</i>)copper(II)","Acta Crystallographica Section C","1999","55","2","176","178","10.1107/S0108270198011640","","","0.71073","MoKα","","0.0555","0.034","","","","0.0972","","","","","","1.034","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008137","24.1291","0.0003","8.4281","0.0001","20.6083","0.0003","90","","90","","90","","4190.95","0.09","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Tetra(acetonitrile-N)lithium perchlorate","","- C8 H12 Cl Li N4 O4 -","- C8 H12 Cl Li N4 O4 -","- C96 H144 Cl12 Li12 N48 O48 -","12","3","DA1013","Yokota, Yasuno; Young Jr, Victor G.; Verkade, John G.","The homoleptic lithium complex [Li(CH~3~CN)~4~]ClO~4~","Acta Crystallographica Section C","1999","55","2","196","198","10.1107/S0108270198011834","","","0.71073","MoKα","","0.083","0.057","","","","0.116","","","","1.113","1.113","1.053","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008138","21.1645","0.0001","21.1645","0.0001","28.9378","0.0001","90","","90","","120","","11225.7","0.08","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","cuprous bromide triphenylphosphite cubane tetramer","tetra-μ~3~-bromo-tetrakis[(triphenyl phosphite-P)copper(I)]","","- C72 H60 Br4 Cu4 O12 P4 -","- C72 H60 Br4 Cu4 O12 P4 -","- C432 H360 Br24 Cu24 O72 P24 -","6","0.333333","DA1019","Pike, Robert D.; Starnes, William H. Jr; Carpenter, Gene B.","Cubane tetrameric complexes of copper(I) chloride and bromide with triphenyl phosphite","Acta Crystallographica Section C","1999","55","2","162","165","10.1107/S0108270198012451","","","0.71073","MoKα","","0.08","0.048","","0.147","","0.147","","","","","","1.131","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008139","14.6643","0.0002","22.6409","0.0003","22.6645","0.0001","90","","107.434","0.001","90","","7179.23","0.15","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","cuprous chloride triphenylphosphite cubane tetramer","tetra-μ~3~-chloro-tetrakis[(triphenyl phosphite-P)copper(I)]","","- C72 H60 Cl4 Cu4 O12 P4 -","- C72 H60 Cl4 Cu4 O12 P4 -","- C288 H240 Cl16 Cu16 O48 P16 -","4","1","DA1019","Pike, Robert D.; Starnes, William H. Jr; Carpenter, Gene B.","Cubane tetrameric complexes of copper(I) chloride and bromide with triphenyl phosphite","Acta Crystallographica Section C","1999","55","2","162","165","10.1107/S0108270198012451","","","0.71073","MoKα","","0.1","0.049","","","","0.111","","","","","","1.013","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008140","9.31","0.002","11.341","0.004","11.887","0.003","102.01","0.02","97.05","0.02","104.81","0.02","1166.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","μ-[1,1'-(1,2-Ethanediyl)bis(1,2,4-1H-triazole)]-N^4^:N^4^'-bis{[1,1,1- trifluoro-3-(2-thenoyl)acetonato-O,O']copper(II)}","","- C38 H24 Cu2 F12 N6 O8 S4 -","- C38 H24 Cu2 F12 N6 O8 S4 -","- C38 H24 Cu2 F12 N6 O8 S4 -","1","0.5","DA1029","Baolong Li; Jianzhong Zou; Chunying Duan; Yongjiang Liu; Xianwen Wei; Zheng Xu","μ-[1,1'-(1,2-Ethanediyl)bis(1<i>H</i>-1,2,4-triazole)]-<i>N</i>^4^:<i>N</i>^4'^-bis{bis[1,1,1-trifluoro-3-(2-thenoyl)acetonato-<i>O</i>,<i>O</i>']copper(II)}","Acta Crystallographica Section C","1999","55","2","165","167","10.1107/S0108270198011846","","","0.71073","MoKα","","0.051","0.038","","0.123","0.109","","","","1.013","1.022","1.022","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:32",""
"2008141","8.038","0.002","20.482","0.004","13.677","0.003","90","","91.76","0.02","90","","2250.6","0.9","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H18 Cr O4 -","- C28 H18 Cr O4 -","- C112 H72 Cr4 O16 -","4","1","DA1035","Hannesschlager, Patrick; Brun, Pierre; Pèpe, Gérard","Tricarbonyl[(6a,7,8,9,10,10a-η)-3,3-diphenyl-3<i>H</i>-benzo[<i>f</i>]chromene]chromium","Acta Crystallographica Section C","1999","55","2","200","202","10.1107/S0108270198012104","","","0.71073","MoKα","","0.0441","0.0397","","0.0789","0.0773","","","","0.808","0.987","0.987","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008142","6.866","0.003","9.101","0.004","9.927","0.004","100.62","0.02","90.85","0.03","109.34","0.02","573.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Ni(Me6trans[14]teteneN4)](ClO4)2","[Nickel(II)(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca- -1,4,8,11-tetraene)]diperchlorate","","- C16 H28 Cl2 N4 Ni O8 -","- C16 H28 Cl2 N4 Ni O8 -","- C16 H28 Cl2 N4 Ni O8 -","1","0.5","DA1042","Gómez-Lara, Jacobo; Basiuk, Elena V.; Basiuk, Vladimir A.; Hernández-Ortega, Simon","(5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,4,8,11-tetraene-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) diperchlorate","Acta Crystallographica Section C","1999","55","2","160","162","10.1107/S0108270198012116","","","0.71073","MoKα","","0.0747","0.0562","","","","0.1564","","","","","","0.943","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008143","6.229","0.002","7.3544","0.0007","15.137","0.003","90.8","0.01","97.34","0.02","113.63","0.01","628.5","0.3","293","1","293","1","","","","","","","","3","P 1","P 1","1","Taraxerone","Taraxerone","","- C30 H48 O -","- C30 H48 O -","- C30 H48 O -","1","1","DA1044","Parvez, Masood; Gul, Waseem; Yousaf, Mohammad; Choudhary, M. Iqbal; Atta-ur-Rahman; Khan, M. Riaz","Taraxerone","Acta Crystallographica Section C","1999","55","2","213","215","10.1107/S0108270198012463","","","1.54178","CuKα","","0.059","0.055","","","","0.148","","","","","","1.06","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008144","6.685","0.002","13.2357","0.0011","14.8763","0.0019","93.677","0.009","98.114","0.016","90.359","0.014","1300.2","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","4-Heptamethyleneimino-7-nitrobenzo-2-oxa-1,3-diazole","4-Heptamethyleneimino-7-nitrobenzo-2-oxa-1,3-diazole","","- C13 H16 N4 O3 -","- C13 H16 N4 O3 -","- C52 H64 N16 O12 -","4","2","DE1090","Satyen Saha; Anunay Samanta","4-Heptamethyleneimino-7-nitrobenzo-2-oxa-1,3-diazole","Acta Crystallographica Section C","1999","55","2","252","254","10.1107/S0108270198012128","","","0.71073","MoKα","","0.083","0.05","","","","0.148","","","","","","0.998","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008145","24.772","0.005","10.165","0.002","15.362","0.003","90","","120.68","0.03","90","","3326.8","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(MALONATE)(AQUA)(5,6-DIMETHYL-1,10'PHENANTHROLINE) COPPER (II) HYDRATE","","- C34 H36 Cu2 N4 O12 -","- C17 H18 Cu N2 O6 -","- C136 H144 Cu8 N16 O48 -","8","1","FR1113","Gasque, Laura; Moreno-Esparza, Rafael; Mollins, Elies; Briansó-Penalva, José Luis; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo","Aqua(5,6-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')(malonato-<i>O</i>,<i>O</i>')copper(II) hydrate","Acta Crystallographica Section C","1999","55","2","158","160","10.1107/S0108270198009937","","","0.71073","MoKα","","0.056","0.032","","","","0.096","","","","","","1.057","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008146","6.5453","0.0006","7.5995","0.0008","24.855","0.003","90","","95.46","0.02","90","","1230.7","0.2","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 O6 -","- C12 H10 N2 O6 -","- C48 H40 N8 O24 -","4","1","FR1126","Moreno-Fuquen, Rodolfo; Valderrama-Naranjo, Jaime; Montaño, Angela Marcela","A 1:1 complex of 4-nitropyridine <i>N</i>-oxide and 3-hydroxybenzoic acid","Acta Crystallographica Section C","1999","55","2","218","220","10.1107/S0108270198009949","","","0.71073","MoKα","","0.083","0.038","","0.117","0.084","","","","1.114","1.028","1.028","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008147","10.253","0.001","11.2035","0.0009","8.008","0.001","90","","90","","90","","919.87","0.16","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-aminohippuric acid","","","- C9 H10 N2 O3 -","- C9 H10 N2 O3 -","- C36 H40 N8 O12 -","4","1","FR1150","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding in 4-aminohippuric acid","Acta Crystallographica Section C","1999","55","2","206","208","10.1107/S0108270198011767","","","0.71073","MoKα","","","0.036","","","0.059","","","","","1.76","1.76","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008148","7.0863","0.0005","4.3394","0.0006","13.2126","0.0006","90","","90.147","0.005","90","","406.29","0.07","296","","296","","","","","","","","","3","I 1 2 1","I 2y","5","(+)-tartaric acid dimethyl ether","(2R,3R)-(+)-2,3-dimethoxybutanedioic acid","","- C6 H10 O6 -","- C6 H10 O6 -","- C12 H20 O12 -","2","0.5","FR1158","Gerkin, Roger E.","Hydrogen bonding in (2<i>R</i>,3<i>R</i>)-(+)-2,3-dimethoxybutanedioic acid [(+)-tartaric acid dimethyl ether]","Acta Crystallographica Section C","1999","55","2","209","211","10.1107/S0108270198012694","","","0.71073","MoKα","","","0.031","","","0.056","","","","","1.9","1.9","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008149","14.4077","0.0011","8.0758","0.0007","19.0278","0.0008","90","","92.95","0.005","90","","2211","0.3","293","","298","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","dibenzobarrelene","[2,3:5,6]Dibenzo[2.2.2]octa-2,5,7-triene","","- C16 H12 -","- C16 H12 -","- C128 H96 -","8","1","FR1160","Burrows, Lary; Masnovi, John; Baker, Ronald J.","[2,3:5,6]Dibenzo[2.2.2]octa-2,5,7-triene (<i>C</i>2/<i>c</i>) and [2,3:5,6]dibenzo[2.2.2]octa-2,5-diene","Acta Crystallographica Section C","1999","55","2","236","239","10.1107/S010827019801275X","","","0.7093","MoKα","","0.038","0.038","","0.042","0.042","","","","","","","2.06","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008150","10.688","0.001","6.3449","0.0006","16.978","0.003","90","","104.62","0.01","90","","1114.1","0.3","293","","298","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","9,10-ethano-9,10-dihydroanthracene","[2,3:5,6]Dibenzo[2.2.2]octa-2,5-diene","","- C16 H14 -","- C16 H14 -","- C64 H56 -","4","1","FR1160","Burrows, Lary; Masnovi, John; Baker, Ronald J.","[2,3:5,6]Dibenzo[2.2.2]octa-2,5,7-triene (<i>C</i>2/<i>c</i>) and [2,3:5,6]dibenzo[2.2.2]octa-2,5-diene","Acta Crystallographica Section C","1999","55","2","236","239","10.1107/S010827019801275X","","","0.7093","MoKα","","0.035","0.035","","0.042","0.042","","","","","","","2.03","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008151","9.5974","0.0013","18.9323","0.0011","7.2881","0.001","90","","94.229","0.012","90","","1320.6","0.3","293","","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetrabenzo-24-crown-8","","","- C32 H32 O8 -","- C32 H32 O8 -","- C64 H64 O16 -","2","0.5","FR1161","Bryan, Jeffrey C.; Bunick, Gerard J.; Sachleben, Richard A.","Tetrabenzo-24-crown-8","Acta Crystallographica Section C","1999","55","2","250","252","10.1107/S0108270198012700","","","1.5418","CuKα","","0.046","0.038","","","","0.111","","","1.02","1.04","1.04","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008152","13.658","0.001","11.388","0.001","22.178","0.002","90","","106.951","0.008","90","","3299.6","0.5","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4,4',6,6'-tetramethylbiphenyl-2,2'-dicarboxylic acid","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","2","FR1167","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding in 4,4',6,6'-tetramethylbiphenyl-2,2'-dicarboxylic acid","Acta Crystallographica Section C","1999","55","2","203","206","10.1107/S0108270198012761","","","0.71073","MoKα","","","0.074","","","","0.097","","","","","","1.21","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008153","11.777","0.0011","9.3742","0.0005","17.0675","0.0015","90","","106.623","0.007","90","","1805.5","0.3","296","2","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-chloro-2-(N,N-dimethylaminomethyleneamino)-1-(2,2-pivaloyloxymethyl) pteridin-4-one","","- C15 H19 Cl N6 O3 -","- C15 H19 Cl N6 O3 -","- C60 H76 Cl4 N24 O12 -","4","1","GD1002","Helliwell, Madeleine; Dinsmore, Andrew; Garner, C. David; Joule, John A.","A 1-alkylated pteridine, C~15~H~19~ClN~6~O~3~","Acta Crystallographica Section C","1999","55","2","254","256","10.1107/S0108270198011883","","","1.5418","CuKα","","0.114","0.055","","","","0.167","","","","","","1.073","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008154","8.792","0.002","12.481","0.002","18.44","0.004","90","","90","","90","","2023.5","0.7","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 O7 S -","- C18 H30 O7 S -","- C72 H120 O28 S4 -","4","1","GS1019","Alayrac, Carole; Saint-Clair, Jean-François; Lemarié, Margareth; Metzner, Patrick; Averbuch-Pouchot, Marie-Thérèse","1,2:5,6-Di-<i>O</i>-isopropylidene-α-<small>D</small>-glucofuranosyl (<i>S</i>)-cyclohexanesulfinate","Acta Crystallographica Section C","1999","55","2","262","264","10.1107/S0108270198012384","","","0.7107","MoKα","","0.04","0.04","","0.045","0.045","","","","1.854","1.854","1.854","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008155","13.13","0.009","5.149","0.002","18.166","0.003","90","","90.92","0.03","90","","1228","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Z)-3-(p-methoxy)benzylideneisoindolin-1-one","(Z)-3-(p-methoxy)benzylideneisoindolin-1-one","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","HA1225","Kundu, Nitya G.; Khan, M. Wahab; Guha, Subhadra; Mukherjee, Alok K.","Two (<i>Z</i>)-3-aryl(alkyl)ideneisoindolin-1-ones","Acta Crystallographica Section C","1999","55","2","239","241","10.1107/S0108270198009962","","","1.5418","CuKα","","0.057","0.049","","0.128","0.121","","","","1.068","1.108","1.108","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008156","9.426","0.002","9.795","0.002","9.909","0.002","68.7","0.02","81.17","0.02","70","0.02","800.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","(Z)-3-(2'-hydroxy-2'-methyl)propylidene-N-p-tolyl isoindolin-1-one","(Z)-3-(2'-hydroxy-2'-methyl)propylidene-N-p-tolyl isoindolin-1-one","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","HA1225","Kundu, Nitya G.; Khan, M. Wahab; Guha, Subhadra; Mukherjee, Alok K.","Two (<i>Z</i>)-3-aryl(alkyl)ideneisoindolin-1-ones","Acta Crystallographica Section C","1999","55","2","239","241","10.1107/S0108270198009962","","","0.71073","MoKα","","0.24","0.055","","0.125","0.104","","","","0.771","1.272","1.272","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008157","13.322","0.001","5.167","0.001","20.938","0.001","90","","90","","90","","1441.3","0.3","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","3a,4,7,7a-Tetrahydro-isobenzofuran-1,3-dione","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","2","HA1235","Bolte, Michael; Bauch, Christian","<i>cis</i>-1,2,3,6-Tetrahydrophthalic anhydride at 173K","Acta Crystallographica Section C","1999","55","2","226","228","10.1107/S0108270198012402","","","0.71073","MoKα","","0.0397","0.0323","","","","0.0853","","","","","","1.056","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008158","6.1925","0.0001","10.2272","0.0003","24.8189","0.0006","90","","90","","90","","1571.83","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(3-furyl)-1,4,6,6a,7,10,10a,10b-octahydro-6a,10b-dimethyl-2H-naptho [2,1-c]pyran-7,4-dione","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","HA1236","Nor Aziyah Bakhari; Sam Teng Wah; Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak","Δ^8,9^-Decarboxyfibleucin from <i>Fibraurea chloroleuca</i> Miers","Acta Crystallographica Section C","1999","55","2","228","230","10.1107/S0108270198011962","","","0.71073","MoKα","","0.086","0.054","","","","0.113","","","","","","1.086","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008159","9.327","0.005","17.472","0.008","7.296","0.004","90","","115.51","0.04","90","","1073.1","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethyl mustard oil sulphide Hydrochloride","4-Ethyl-5-ethyliminium-1,2,4-dithiazolidine-3-thione chloride","","- C6 H11 Cl N2 S3 -","- C6 H11 Cl N2 S3 -","- C24 H44 Cl4 N8 S12 -","4","1","JZ1288","Beck, Johannes; Walter, Jörg","Ethyl mustard oil sulfide hydrochloride","Acta Crystallographica Section C","1999","55","2","260","262","10.1107/S0108270198011184","","","0.71073","MoKα","","0.0426","0.037","","","0.1034","0.1101","","","","1.068","1.068","1.063","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008160","26.174","0.007","5.5429","0.0007","15.727","0.004","90","","116.6","0.02","90","","2040.2","0.9","150","1","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cu~2(DAB)~2","Bis(μ-diazoaminobenzene)dicooper(I)","","- C24 H20 Cu2 N6 -","- C24 H20 Cu2 N6 -","- C96 H80 Cu8 N24 -","4","0.5","JZ1296","Falvello, Larry R.; Urriolabeitia, Esteban P.; Mukhopadhyay, U.; Ray, D.","Redetermination of (diazoaminobenzene)copper(I) at 150K","Acta Crystallographica Section C","1999","55","2","170","172","10.1107/S0108270198011706","","","0.71073","MoKα","","0.0453","0.0308","","","","0.0812","","","","","","1.056","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008161","11.495","0.001","11.495","0.001","19.134","0.003","90","","90","","90","","2528.3","0.5","150","","150","","","","","","","","","5","I -4 2 m","I -4 2","121","","Bis(tetramethylammonium)tetra-μ~3~-sulfido-tetrakis [(2,2-dimethylpropanethiolato-S)iron(III)]","","- C28 H68 Fe4 N2 S8 -","- C28 H84 Fe4 N2 S8 -","- C56 H168 Fe8 N4 S16 -","2","0.125","JZ1305","Ralf Hauptmann; Jörg Schneider; Martin Köckerling; Gerald Henkel","Bis(tetramethylammonium) tetra-μ~3~-sulfido-tetrakis[(2,2-dimethylpropanethiolato-<i>S</i>)iron]: a heterocubane complex anion with crystallographically imposed øverline{4}2<i>m</i> symmetry","Acta Crystallographica Section C","1999","55","2","190","192","10.1107/S0108270198011718","","","0.71073","MoKα","","","0.055","","","","0.151","","","","1.167","1.167","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008162","10.696","0.005","11.305","0.005","13.301","0.005","90","0.005","110.06","0.005","90","0.005","1510.8","1.1","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tert-butyl N-(1-aminocarbonyl-1-isopropylbut-3-enyl)carbamate","","- C13 H24 N2 O3 -","- C13 H24 N2 O3 -","- C52 H96 N8 O12 -","4","1","JZ1318","Badorrey, Ramón; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.; Lapeña, Yolanda","2-<i>tert</i>-Butoxycarbonylamino-2-isopropyl-4-pentenamide, a new conformationally restricted α,α-dialkylglycine derivative","Acta Crystallographica Section C","1999","55","2","241","243","10.1107/S010827019801172X","","","0.71069","MoKα","","","0.054","","","","0.154","","","","","","1.006","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008163","8.111","0.001","13.449","0.002","24.09","0.005","90","","90","","90","","2627.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2S,2(1R),2(2R),4R]-2-ethyl-2-(2-hydroxy-1-methyl-2-phenylpropyl- 3-tosyl-4-phenyl-1,3-oxazolidine","","- C28 H33 N O4 S -","- C28 H33 N O4 S -","- C112 H132 N4 O16 S4 -","4","1","JZ1328","Bolte, Michael; Monz, Sabine; Wagner, Kerstin","Three 3-arylsulfonyl-1,3-oxazolidines","Acta Crystallographica Section C","1999","55","2","222","226","10.1107/S010827019801258X","","","1.5418","CuKα","","0.032","0.031","","","","0.085","","","","","","1.051","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008164","8.901","0.001","11.935","0.002","25.898","0.002","90","","90","","90","","2751.2","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2S,2(1R),4R]-2-[1-(3-ethoxy-3-oxo)-1-hydroxy-1-phenylpropyl]-2-ethyl- 3-tosyl-4-phenyl-1,3-oxazolidine","","- C29 H33 N O6 S -","- C29 H33 N O6 S -","- C116 H132 N4 O24 S4 -","4","1","JZ1328","Bolte, Michael; Monz, Sabine; Wagner, Kerstin","Three 3-arylsulfonyl-1,3-oxazolidines","Acta Crystallographica Section C","1999","55","2","222","226","10.1107/S010827019801258X","","","1.5418","CuKα","","0.046","0.042","","","","0.109","","","","","","1.048","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008165","11.054","0.001","14.824","0.003","15.25","0.003","90","","90","","90","","2498.9","0.7","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(2,3,4,5)-tetrahydro-3-methylen-2-oxo-5-phenyl-furan-5-yl)- 1,3-oxazolidine","","- C28 H27 N O5 S -","- C28 H27 N O5 S -","- C112 H108 N4 O20 S4 -","4","1","JZ1328","Bolte, Michael; Monz, Sabine; Wagner, Kerstin","Three 3-arylsulfonyl-1,3-oxazolidines","Acta Crystallographica Section C","1999","55","2","222","226","10.1107/S010827019801258X","","","1.5418","CuKα","","0.03","0.029","","0.084","0.081","","","","1.06","1.06","1.06","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008166","10.236","0.001","22.433","0.003","12.188","0.002","90","","104.89","0.01","90","","2704.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-Methyl-(p-chorophenacyl)aniline","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C120 H112 Cl8 N8 O8 -","8","2","KA1278","M. Paz Martínez-Alcázar; Isabel Fonseca; Felix H. Cano; J. Gonzalo Rodríguez","<i>N</i>-(<i>p</i>-Chlorobenzoyl)-<i>N</i>-methylaniline","Acta Crystallographica Section C","1999","55","2","256","258","10.1107/S0108270198010774","","","1.5418","CuKα","","0.077","0.0535","","","","0.1415","","","","","","0.932","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008167","18.3481","0.0016","8.3075","0.0007","13.2995","0.0009","90","","113.96","0.006","90","","1852.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis-Bis(2-aminobenzothiazole-N)-bis(formato-O,O')copper(II)","","- C16 H14 Cu N4 O4 S2 -","- C16 H14 Cu N4 O4 S2 -","- C64 H56 Cu4 N16 O16 S8 -","4","0.5","KA1298","Sieroń, Lesław; Bukowska-Strzyżewska, Maria","<i>cis</i>-Bis(2-amino-1,3-benzothiazole-<i>N</i>^3^)bis(formato-<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1999","55","2","167","169","10.1107/S0108270198011743","","","0.71073","MoKα","","0.0387","0.0325","","","","0.0801","","","","","","1.142","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008168","24.49","0.005","39.314","0.008","11.808","0.002","90","","90","","90","","11369","4","150","","150","","","","","","","","","6","F d d 2","F 2 -2d","43","","Tris(tetraethylammonium)tetrakis(thiophenolato-μ~3~- selenido-iron)","","- C48 H80 Fe4 N3 S4 Se4 -","- C48 H80 Fe4 N3 S4 Se4 -","- C384 H640 Fe32 N24 S32 Se32 -","8","0.5","LN1065","Hauptmann, Ralf; Schneider, Jörg; Chen, Changneng; Henkel, Gerald","Tris(tetraethylammonium) tetra-μ~3~-selenido-tetrakis[(thiophenolato-<i>S</i>)iron]","Acta Crystallographica Section C","1999","55","2","192","194","10.1107/S0108270198012190","","","0.71073","MoKα","","","0.0366","","","","0.0824","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008169","8.744","0.004","14.219","0.007","19.552","0.009","90","","98.63","0.04","90","","2403","2","293","1","293","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aquabis(2,2'-bipyridine-N,N')(perchlorato-O)-manganese(II) perchlorate","","- C20 H18 Cl2 Mn N4 O9 -","- C20 H16 Cl2 Mn N4 O9 -","- C80 H64 Cl8 Mn4 N16 O36 -","4","1","LN1066","Rodríguez-Martín, Yolanda; González-Platas, Javier; Ruiz-Pérez, Catalina","Aquabis(2,2'-bipyridine-<i>N</i>,<i>N</i>')(perchlorato-<i>O</i>)manganese(II) perchlorate","Acta Crystallographica Section C","1999","55","2","186","188","10.1107/S0108270198012049","","","1.54179","CuKα","","0.121","0.068","","","","0.211","","","","","","1.079","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008170","9.024","0.003","11.442","0.002","17.506","0.003","86.12","0.01","79.1","0.02","68.33","0.02","1649.5","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 N2 O4 -","- C20 H12 N2 O4 -","- C80 H48 N8 O16 -","4","2","LN1070","Elmali, Ayhan; Kabak, Mehmet; Elerman, Yalc̨in","2-Salicylideneamino-4,5-bis(2-furyl)furan-3-carbonitrile","Acta Crystallographica Section C","1999","55","2","258","260","10.1107/S0108270198012268","","","0.71069","MoKα","","0.0773","0.0467","","0.1618","0.1162","","","","1.092","0.987","0.987","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008171","10.118","0.002","9.705","0.003","11.919","0.003","90","","97.32","0.01","90","","1160.8","0.5","292","","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(tert-Butyl)-3-(2-pyridyl)thiourea","","- C10 H15 N3 S -","- C10 H15 N3 S -","- C40 H60 N12 S4 -","4","1","NA1341","Angelova, Olyana; Kossev, Krasimir; Atanasov, Vladimir","1-(<i>tert</i>-Butyl)-3-(2-pyridyl)thiourea","Acta Crystallographica Section C","1999","55","2","220","222","10.1107/S0108270198009615","","","0.71073","MoKα","","0.063","0.043","","","","0.128","","","","","","1.02","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008172","6.5118","0.0004","8.1702","0.0006","13.9142","0.0008","72.501","0.005","75.962","0.005","71.093","0.006","659.22","0.08","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 Cl3 N2 -","- C14 H9 Cl3 N2 -","- C28 H18 Cl6 N4 -","2","1","NA1364","Kendi̇, Engi̇n; Özbey, Süheyla; Göker, Hakan","2,5-Dichloro-1-(<i>p</i>-chlorobenzyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","1999","55","2","243","245","10.1107/S0108270198011196","","","0.71073","MoKα","","","0.03","","","0.031","","","","","1.37","1.37","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008173","15.684","0.003","16.17","0.003","17.222","0.003","90","","116.75","0.01","90","","3900.2","1.3","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]chromium(0)","","- C14 H27 Cr O3 P3 -","- C14 H27 Cr O3 P3 -","- C112 H216 Cr8 O24 P24 -","8","2","OA1069","Suzuki, Takayoshi; Imamura, Takeshi; Kaizaki, Sumio","Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]chromium(0), -molybdenum(0) and -tungsten(0) complexes","Acta Crystallographica Section C","1999","55","2","182","186","10.1107/S0108270198012414","","","0.7107","MoKα","","","0.0572","","","","0.0595","","","","","","1.53","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2008174","8.601","0.002","16.324","0.004","14.422","0.002","90","","96.59","0.02","90","","2011.5","0.7","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]molybdenum(0)","","- C14 H27 Mo O3 P3 -","- C14 H27 Mo O3 P3 -","- C56 H108 Mo4 O12 P12 -","4","1","OA1069","Suzuki, Takayoshi; Imamura, Takeshi; Kaizaki, Sumio","Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]chromium(0), -molybdenum(0) and -tungsten(0) complexes","Acta Crystallographica Section C","1999","55","2","182","186","10.1107/S0108270198012414","","","0.7107","MoKα","","","0.0408","","","","0.0502","","","","","","1.746","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2008175","8.566","0.001","16.281","0.002","14.41","0.002","90","","96.77","0.01","90","","1995.6","0.4","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]tungsten(0)","","- C14 H27 O3 P3 W -","- C14 H27 O3 P3 W -","- C56 H108 O12 P12 W4 -","4","1","OA1069","Suzuki, Takayoshi; Imamura, Takeshi; Kaizaki, Sumio","Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]chromium(0), -molybdenum(0) and -tungsten(0) complexes","Acta Crystallographica Section C","1999","55","2","182","186","10.1107/S0108270198012414","","","0.7107","MoKα","","","0.0268","","","","0.0347","","","","","","1.382","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2008176","7.2454","0.0003","9.1927","0.0004","15.6539","0.0007","92.418","0.001","99.687","0.001","112.666","0.001","941.79","0.07","203","2","203","2","","","","","","","","5","P -1","-P 1","2","SN 18071.Ts","1,4-bis[4-(1-pyridinium)styryl)]benzene ditosylate","","- C46 H40 N2 O6 S2 -","- C46 H40 N2 O6 S2 -","- C46 H40 N2 O6 S2 -","1","0.5","OS1035","Clark, George R.; Denny, William A.; Squire, Christopher J.","1,4-Bis[4-(1-pyridinium)styryl]benzene ditosylate","Acta Crystallographica Section C","1999","55","2","230","232","10.1107/S0108270198012396","","","0.71073","MoKα","","0.049","0.04","","","","0.107","","","","","","1.021","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008177","11.36","0.003","12.237","0.002","11.717","0.002","90","","93.63","0.03","90","","1625.5","0.6","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro[1-(thiomethyl)-2-(diphenylphosphino)ethane]palladium(II)","","- C15 H17 Cl2 P Pd S -","- C15 H17 Cl2 P Pd S -","- C60 H68 Cl8 P4 Pd4 S4 -","4","1","OS1039","Adnan S. Abu-Surrah; Kristian Lappalainen; Martti Klinga; Markku Leskelä; Hamdallah A. Hodali; Bernhard Rieger","A dichloropalladium(II) complex with a mixed-donor bidentate ligand: dichloro[2-(diphenylphosphino)-1-(methylthio)ethane-<i>P</i>,<i>S</i>]palladium(II)","Acta Crystallographica Section C","1999","55","2","188","190","10.1107/S0108270198012773","","","0.71073","MoKα","","0.05","0.037","","0.077","0.073","","","","1.03","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008178","14.901","0.002","15.785","0.001","8.012","0.002","90","","98.67","0.02","90","","1863","0.6","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 N2 O3 -","- C10.5 H12 N O1.5 -","- C84 H96 N8 O12 -","8","1","OS1040","Hökelek, Tuncer; Kılıç, Zeynel; Bilge, Selen","2,5,8-Trioxa-16,20-diazatricyclo[20.4.0.0^9,14^]hexacosa-9,11,13,15,20,22,24,26-octaene","Acta Crystallographica Section C","1999","55","2","248","250","10.1107/S0108270198012281","","","0.71069","MoKα","","","0.0691","","","0.075","","","","","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008179","9.557","0.001","16.14","0.001","13.688","0.001","90","0.001","100.978","0.001","90","0.001","2072.7","0.3","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N4 O3 -","- C23 H24 N4 O3 -","- C92 H96 N16 O12 -","4","1","QA0067","Aatif, A.; Baouid, A.; Hasnaoui, A.; Benharref, A.; Alilou, E. H.; Pierrot, M.","Ethyl 7-oxo-3-(4-tolyl)-4,5,6,6a,7,8-hexahydro-3<i>H</i>-cyclopenta[<i>b</i>][1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazepine-1-carboxylate and ethyl 3-(4-chlorophenyl)-8-methyl-7-oxo-4,5,6,6a,7,8-hexahydro-3<i>H</i>-cyclopenta[<i>b</i>][1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazepine-1-carboxylate","Acta Crystallographica Section C","1999","55","2","IUC9900010","","10.1107/S0108270199099849","","","0.71073","MoKα","","","0.061","","","0.087","","","","","1.506","1.506","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008180","9.942","0.001","16.184","0.001","13.787","0.001","90","0.001","107.64","0.001","90","0.001","2114","0.3","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Cl N4 O3 -","- C23 H23 Cl N4 O3 -","- C92 H92 Cl4 N16 O12 -","4","1","QA0067","Aatif, A.; Baouid, A.; Hasnaoui, A.; Benharref, A.; Alilou, E. H.; Pierrot, M.","Ethyl 7-oxo-3-(4-tolyl)-4,5,6,6a,7,8-hexahydro-3<i>H</i>-cyclopenta[<i>b</i>][1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazepine-1-carboxylate and ethyl 3-(4-chlorophenyl)-8-methyl-7-oxo-4,5,6,6a,7,8-hexahydro-3<i>H</i>-cyclopenta[<i>b</i>][1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazepine-1-carboxylate","Acta Crystallographica Section C","1999","55","2","IUC9900010","","10.1107/S0108270199099849","","","0.71073","MoKα","","","0.069","","","0.093","","","","","1.56","1.56","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008181","14.84","0.001","7.0447","0.0007","4.2585","0.0004","81.292","0.008","84.988","0.008","84.837","0.008","437.05","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Potassium 2,4-dichloro-6-nitrophenolate","potassium 2,4-dichloro-6-nitrophenolate","","- C6 H2 Cl2 K N O3 -","- C6 H2 Cl2 K N O3 -","- C12 H4 Cl4 K2 N2 O6 -","2","1","QA0075","Vasiliev, Alexander D.; Solovyov, Leonid A.","Potassium 2,4-dichloro-6-nitrophenolate","Acta Crystallographica Section C","1999","55","2","IUC9900004","","10.1107/S0108270199099904","","","1.54051","CuKα","","0.053","0.051","","","","0.13","","","","","","1.099","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008182","7.242","0.007","10.01","0.007","10.962","0.006","115.96","0.05","90.89","0.03","107.84","0.07","669.6","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","phenanthridine hydrogenselenate monohydrate","9-azaphenathrenium(1+) hydrogenselenate(1-) monohydrate","","- C13 H13 N O5 Se -","- C13 H13 N O5 Se -","- C26 H26 N2 O10 Se2 -","2","1","QA0076","Slouf, Miroslav; Cisarova, Ivana","Phenathridinium hydrogenselenate monohydrate","Acta Crystallographica Section C","1999","55","2","IUC9900003","","10.1107/S0108270199099874","","","0.71073","MoKα","","0.065","0.055","","","","0.148","","","","","","1.077","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008183","5.2326","0.0003","16.766","0.002","6.613","0.0005","90","","106.983","0.005","90","","554.86","0.09","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(3-bromopropyl)-5-nitro-1H-indole","","- C11 H11 Br N2 O2 -","- C11 H11 Br N2 O2 -","- C22 H22 Br2 N4 O4 -","2","1","QA0079","Garcia, J. Gabriel; Billodeaux, Damon R.; Fronczek, Frank R.","Two 3-substituted 5-nitroindoles","Acta Crystallographica Section C","1999","55","2","IUC9900007","","10.1107/S0108270199099783","","","1.54184","CuKα","","","0.025","","","0.036","","","","","1.978","1.978","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008184","10.3272","0.0007","13.962","0.001","7.4435","0.0006","90","","99.489","0.006","90","","1058.58","0.14","299","","299","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3-hydroxypropyl)-5-nitro-1H-indole","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","QA0079","Garcia, J. Gabriel; Billodeaux, Damon R.; Fronczek, Frank R.","Two 3-substituted 5-nitroindoles","Acta Crystallographica Section C","1999","55","2","IUC9900007","","10.1107/S0108270199099783","","","1.54184","CuKα","","0.052","0.047","","0.056","0.056","","","","1.851","1.848","1.848","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008185","9.952","0.002","11.767","0.002","6.206","0.002","90","","90","","90","","726.8","0.3","125","2","125","2","","","","","","","","3","I b a m","-I 2 2c","72","","2-Propenoic Acid","","- C3 H4 O2 -","- C3 H4 O2 -","- C24 H32 O16 -","8","0.5","","Boese, R.; Bläser, D.; Steller, I.; Latz, R.; Bäumen, A.","Redetermination of 2-propenoic acid at 125K","Acta Crystallographica Section C","1999","55","2","IUC9900006","","10.1107/S0108270199099850","","","0.71073","MoKα","","0.05","0.04","","","","0.118","","","","","","1.074","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008186","13.129","0.003","19.201","0.004","27.672","0.006","90","","90","","90","","6976","3","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)-(1R,5S,6R)-1-[3-(9,9-Dimethyl-4,4-dioxo-4λ^6^-thiatricyclo[6.1.1.0^2,6^]- dec-2-en-5-yl)-2-tert-butyldimethylsilyloxy-4,6-dimethoxy-phenyl]-3-methyl- butan-1-one","","- C32.5 H52 O6.5 S Si -","- C32.5 H52 O6.5 S Si -","- C260 H416 O52 S8 Si8 -","8","2","QA0081","Bats, Jan W.; Berger, Bernd; Gerlach, Matthias; Reggelin, Michael","(+)-(1<i>R</i>,5<i>S</i>,6<i>R</i>)-1-[3-(9,9-Dimethyl-4,4-dioxo-4λ^6^-thiatricyclo[6.1.1.0^2,6^]dec-2-en-5-yl)-2-<i>tert</i>-butyldimethylsilyloxy-4,6-dimethoxyphenyl]-3-methylbutan-1-one methyl <i>tert</i>-butyl ethersolvate at 133K","Acta Crystallographica Section C","1999","55","2","IUC9900002","","10.1107/S0108270199099837","","","0.71073","MoKα","","0.103","0.061","","","","0.114","","","","","","1.096","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008187","13.151","0.003","3.923","0.001","5.762","0.001","90","","90","","90","","297.27","0.11","40","2","40","2","","","","","","","","3","P n a 21","P 2c -2n","33","Acetic acid","Ethanoic acid","","- C2 H4 O2 -","- C2 H4 O2 -","- C8 H16 O8 -","4","1","QA0082","Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","Acetic acid at 40K","Acta Crystallographica Section C","1999","55","2","IUC9900001","","10.1107/S0108270199099862","","","0.71073","MoKα","","0.0413","0.0397","","","","0.0986","","","","","","1.131","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008188","7.0377","0.0001","25.6325","0.0002","8.7769","0.0001","90","","108.731","0.001","90","","1499.44","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,5-Di(2-chlorophenyl)-1,2,4-triazole-3-thione.","","- C14 H9 Cl2 N3 S -","- C14 H9 Cl2 N3 S -","- C56 H36 Cl8 N12 S4 -","4","1","QA0084","Kandasamy Chinnakali; Hoong-Kun Fun; Annamalai Senthilvelan; Vayalakkavoor T. Ramakrishnan","3,4-Bis(2-chlorophenyl)-1,2,4-1<i>H</i>-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section C","1999","55","2","IUC9900005","","10.1107/S0108270199099813","","","0.71073","MoKα","","0.114","0.07","","","","0.207","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","301791","2025-08-18","23:15:32",""
"2008189","14.436","0.003","28.732","0.003","8.592","0.002","90","","106.34","0.02","90","","3419.8","1.2","297","","297","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(N,N'-disalicylideneethylenediamine)(isothiocyanato)oxovanadium(V)","","","- C17 H14 N3 O3 S V -","- C17 H14 N3 O3 S V -","- C136 H112 N24 O24 S8 V8 -","8","2","QA0085","Tsuchimoto, Masanobu; Ohba, Shigeru","[<i>N</i>,<i>N</i>'-Bis(salicylidene)ethylenediamine](isothiocyanato)oxovanadium(V)","Acta Crystallographica Section C","1999","55","2","IUC9900008","","10.1107/S0108270199099898","","","0.71073","MoKα","","0.123","0.051","","","","0.081","","","","","","1.095","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008190","8.0436","0.0002","8.7719","0.0003","8.9585","0.0003","73.188","0.001","63.829","0.001","73.398","0.002","533.76","0.03","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","9-hydroxy-4-methyl-9,10-dihydro-7,8-benzocoumarin","","- C14 H12 O3 -","- C14 H12 O3 -","- C28 H24 O6 -","2","1","QA0086","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan","9-Hydroxy-4-methyl-9,10-dihydrobenzo[<i>h</i>]coumarin","Acta Crystallographica Section C","1999","55","2","IUC9900011","","10.1107/S0108270199099825","","","0.71073","MoKα","","0.095","0.072","","","","0.231","","","","","","1.059","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008191","4.1458","0.0002","12.5203","0.0004","11.1023","0.0004","90","","100.06","0.002","90","","567.42","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","E-1,2-(Di-2'-chlorocyclopentenyl)ethylene","","- C12 H14 Cl2 -","- C12 H14 Cl2 -","- C24 H28 Cl4 -","2","0.5","QA0087","Susmita Gupta; Jayanta Kumar Ray; Kandasamy Chinnakali; Hoong-Kun Fun","(<i>E</i>)-1,2-Bis(2-chlorocyclopentenyl)ethene","Acta Crystallographica Section C","1999","55","2","IUC9900012","","10.1107/S0108270199099801","","","0.71073","MoKα","","0.088","0.064","","","","0.172","","","","","","0.923","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008192","12.8316","0.0002","13.5924","0.0002","23.8128","0.0004","79.5365","0.0009","88.225","0.0008","63.4592","0.0008","3647.83","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1,3,5-tri-tertbutyldimethylsilyloxymethyl-2,4,6-triiodbenzene","","- C27 H51 I3 O3 Si3 -","- C27 H51 I3 O3 Si3 -","- C108 H204 I12 O12 Si12 -","4","2","QA0088","Løiten, Marianne Sveaas; Gløgård, Christian; Dalhus, Bjørn; Fjartoft, Berit; Klaveness, Jo","2,4,6-Triiodo-1,3,5-tris(<i>tert</i>-butyldimethylsilyloxymethyl)benzene","Acta Crystallographica Section C","1999","55","2","IUC9900009","","10.1107/S0108270199099795","","","0.71073","MoKα","","0.068","0.057","","0.151","0.136","","","","1.997","2.074","2.074","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:32",""
"2008193","8.486","0.001","9.571","0.001","19.68","0.002","90","","101.54","0.01","90","","1566.1","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4-Dimethoxyl-6,7,9,10,11-pentahydro-2-hydroxyl-2-methyl-1H-cyclopenta[jk] pyrrolo[2,1-b][3]benzazepine-1-one","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","QA0092","Zhong, Sanbao; Deng, Yijian; Yu, Kaibei; Zhu, Jin; Mi, Aiqiao; Jiang, Yaozhong; Zhang, Guoling","2-Hydroxy-3,4-dimethoxy-2-methyl-1,2,6,7,10,11-hexahydro-9<i>H</i>-cyclopenta[<i>jk</i>]pyrrolo[2,1-<i>b</i>][3]benzazepin-1-one","Acta Crystallographica Section C","1999","55","2","IUC9900013","","10.1107/S0108270199099886","","","0.71073","MoKα","","0.049","0.034","","0.142","0.083","","","","0.952","1.071","1.071","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008194","13.524","0.002","11.221","0.001","18.41","0.002","90","","96.06","0.01","90","","2778.2","0.6","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C9 H15 Cu Na O12 -","- C9 H15 Cu Na O12 -","- C72 H120 Cu8 Na8 O96 -","8","1","SK1164","Chui, Stephen Sin Yin; Siu, Alvin; Williams, Ian D.","Sodium copper(II) trimesate, [NaCu{C~6~H~3~(COO)~3~}(H~2~O)~4~].2H~2~O, a double-sheet coordination polymer with bridging aqua ligands","Acta Crystallographica Section C","1999","55","2","194","196","10.1107/S0108270198010944","","","0.71073","MoKα","","0.0391","0.0317","","0.0848","0.0788","","","","1.064","1.084","1.084","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008195","11.6017","0.001","11.2268","0.0011","16.752","0.0015","90","","108.936","0.008","90","","2063.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","A Binuclear Cadmium(II) complex: Bis(diisopropyldithiocarbamate) Cadmium(II)","","- C28 H56 Cd2 N4 S8 -","- C28 H56 Cd2 N4 S8 -","- C56 H112 Cd4 N8 S16 -","2","0.5","SK1201","Fang-fang Jian; Zuo-xiang Wang; Hoong-Kun Fun; Zhi-ping Bai; Xiao-zeng You","A binuclear cadmium(II) complex: bis[bis(<i>N,N</i>-diisopropyldithiocarbamato)cadmium(II)]","Acta Crystallographica Section C","1999","55","2","174","176","10.1107/S0108270198012062","","","0.71073","MoKα","","0.0586","0.0411","","0.1056","0.0989","","","","0.95","1.045","1.045","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008196","21.935","0.001","11.4354","0.0007","9.9743","0.0006","90","","90","","90","","2501.9","0.2","295","","295","","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-[2-(dimethylamino)ethylaminomethyl]-4-chlorophenol","","- C11 H17 Cl N2 O -","- C11 H17 Cl N2 O -","- C88 H136 Cl8 N16 O8 -","8","1","SK1230","Lian Ee Khoo; Hong Juan Hu; Alan Hazell","4-Chloro-2-[2-(dimethylamino)ethylaminomethyl]phenol and 2-[2-(dimethylamino)ethylaminomethyl]-6-methoxyphenol","Acta Crystallographica Section C","1999","55","2","245","248","10.1107/S0108270198012050","","","0.71073","MoKα","","","0.041","","","0.046","","","","","","","1.295","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008197","15.9034","0.0008","10.5054","0.0005","16.1559","0.0008","90","","90","","90","","2699.2","0.2","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[2-dimethylamino)ethylaminomethyl]-6-methoxyphenol","","- C12 H20 N2 O2 -","- C12 H20 N2 O2 -","- C96 H160 N16 O16 -","8","1","SK1230","Lian Ee Khoo; Hong Juan Hu; Alan Hazell","4-Chloro-2-[2-(dimethylamino)ethylaminomethyl]phenol and 2-[2-(dimethylamino)ethylaminomethyl]-6-methoxyphenol","Acta Crystallographica Section C","1999","55","2","245","248","10.1107/S0108270198012050","","","0.71073","MoKα","","","0.048","","","0.056","","","","","","","1.569","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008198","14.283","0.002","17.083","0.004","7.723","0.003","90","","90","","90","","1884.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(3-indolyl)acrylamide","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C88 H80 N16 O8 -","8","1","SX1071","Leopoldo Suescun; Raúl A. Mariezcurrena; Alvaro W. Mombrú; Danilo Davyt; Eduardo Manta","3-(3-Indolyl)acrylamide","Acta Crystallographica Section C","1999","55","2","211","213","10.1107/S0108270198012505","","","0.71069","MoKα","","0.159","0.041","","","","0.132","","","","","","0.98","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008199","7.0518","0.0001","5.851","0.0001","10.3799","0.0002","90","","108.22","0.001","90","","406.803","0.012","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","silver(I) diammino-disulfito-palladat(II)","disilver(I) diamminedisulfitopalladium(II)","","- Ag2 H6 N2 O6 Pd S2 -","- Ag2 H6 N2 O6 Pd S2 -","- Ag4 H12 N4 O12 Pd2 S4 -","2","0.5","AV1026","Solovyov, Leonid A.; Blokhin, Alexander I.; Mulagaleev, Ruslan F.; Kirik, Sergei D.","Ag~2~[Pd(NH~3~)~2~(SO~3~)~2~] powder","Acta Crystallographica Section C","1999","55","3","293","296","10.1107/S0108270198012724","","","1.5418","CuKα","","","","","","","","","","1.66","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008200","7.72","0.006","13.72","0.001","15.161","0.003","63.3","0.01","88.1","0.05","86.56","0.05","1432","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Nickel(II) Thiocyanate complex of Bis( 3 - Aminopropyl) methylamine","Nickel(II) Thiocyanate complex of Bis( 3 - Aminopropyl) methylamine","","- C18 H38 N10 Ni2 S4 -","- C18 H38 N10 Ni2 S4 -","- C36 H76 N20 Ni4 S8 -","2","1","BK1416","Mukherjee, Alok K.; Nayak, Nirmalya P.; Mondal, Arunendu; Chaudhuri, Nirmalendu Ray","A dimeric form of the nickel(II) thiocyanate complex of bis(3-aminopropyl)methylamine","Acta Crystallographica Section C","1999","55","3","365","368","10.1107/S010827019801419X","","","0.71073","MoKα","","0.05","0.039","","0.099","0.095","","","","1.216","1.277","1.277","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008201","16.991","0.002","12.307","0.001","9.5","0.002","90","","107.5","0.02","90","","1894.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(dihydrogen phosphato-O)[(1RS,4RS,8SR,10SR)-1,4,8,10- tetraazacyclotetradecane-κ^4^N]nickel(II) monohydrate","","- C10 H30 N4 Ni O9 P2 -","- C10 H28 N4 Ni O9 P2 -","- C40 H112 N16 Ni4 O36 P8 -","4","0.5","BK1417","Namouchi-Cherni, Saoussen; Driss, Ahmed; Jouini, Tahar","Bis(dihydrogen phosphato-<i>O</i>)[(1<i>RS</i>,4<i>RS</i>,8<i>SR</i>,11<i>SR</i>)-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]nickel(II) monohydrate","Acta Crystallographica Section C","1999","55","3","345","347","10.1107/S0108270198014620","","","0.71069","MoKα","","0.0301","0.025","","0.067","0.0638","","","","1.077","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008202","12.932","0.002","11.273","0.002","14.921","0.003","90","","100.16","0.014","90","","2141.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(μ~2~-Hydrydo)-(μ~2~-N-methylcarboxamido-C,O)-trimethylamine)- nonacarbonyl- tri-osmium","","- C14 H14 N2 O10 Os3 -","- C14 H14 N2 O10 Os3 -","- C56 H56 N8 O40 Os12 -","4","1","BK1418","Andrés Vega; Evgenia Spodine; Alejandro Arce; Jorge Manzur; Ana María García; María Teresa Garland","Nonacarbonyl-μ~2~-hydrido-μ~2~-(<i>N</i>-methylcarboxamido)-<i>C</i>:<i>O</i>-(<i>N</i>-trimethylamine)triosmium(3 <i>Os</i>—<i>Os</i>)","Acta Crystallographica Section C","1999","55","3","322","323","10.1107/S0108270198012839","","","0.71073","MoKα","","0.0659","0.0362","","0.0787","0.0671","","","","1.016","1.059","1.059","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008203","7.268","0.002","12.747","0.002","13.357","0.004","90","","90","","90","","1237.5","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-(4-pyridyl)-5-phenylhydantoin","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C56 H44 N12 O8 -","4","1","BK1423","Eknoian, Michael W.; Webb, Thomas R.; Worley, S. Davis; Braswell, Anthony; Hadley, Johnathan","5-(4-Pyridyl)-5-phenylhydantoin","Acta Crystallographica Section C","1999","55","3","405","407","10.1107/S0108270198014528","","","0.71073","MoKα","","0.0338","0.0306","","0.0784","0.076","","","","1.111","1.12","1.12","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008204","16.734","0.003","10.267","0.002","17.173","0.004","90","","110.34","0.02","90","","2766.5","1","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","dioxo-di-μ-dioxo-bis(difluoroacetato)-bis-(2,2 -bipyridine)-dimolybdenum(V)","","- C24 H22 F4 Mo2 N4 O10 -","- C24 H22 F4 Mo2 N4 O10 -","- C96 H88 F16 Mo8 N16 O40 -","4","0.5","BK1424","Webb, Thomas R.; Talbott, E. Shane","Di-μ-oxo-bis[(2,2'-bipyridine)(difluoroacetato)oxomolybdenum(V)] dihydrate","Acta Crystallographica Section C","1999","55","3","370","372","10.1107/S0108270198014206","","","0.71073","MoKα","","0.03","0.024","","0.06","0.056","","","","1.12","1.129","1.129","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008205","11.688","0.002","12.561","0.004","3.945","0.001","90","","90","","90","","579.2","0.3","296","","","","","","","","","","","5","C m m m","-C 2 2","65","","μ-4,4'-bipyridylium di-μ-bromide-mercury(II)","","- C10 H8 Br2 Hg N2 -","- C10 H8 Br2 Hg N2 -","- C20 H16 Br4 Hg2 N4 -","2","0.125","BM1222","Pan, Long; Zheng, Nengwu; Wu, Yonggang; Yu, Shichun; Huang, Xiaoying","Poly[mercury(II)-μ-4,4'-bipyridine-di-μ-bromo]","Acta Crystallographica Section C","1999","55","3","343","345","10.1107/S0108270198006325","","","0.71073","MoKα","","","0.031","","","","0.038","","","","","","1.25","","","","has coordinates","198516","2020-10-21","18:00:00",""
"2008206","9.257","0.001","10.947","0.003","11.911","0.001","96.86","0.01","108.997","0.007","96.59","0.01","1117.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","{3-[(1-protonated-4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4- methylthiazolium}{3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5- (2-hydroxyethyl)-4-methylthiazolium} heptaiododimercurate dihydrate","","- C24 H39 Hg2 I7 N8 O4 S2 -","- C24 H28 Hg2 I7 N8 O4 S2 -","- C24 H28 Hg2 I7 N8 O4 S2 -","1","0.5","BM1259","Hu, Ning-Hai; Liu, Yong-Sheng; Aoki, Katsuyuki","Interactions of thiamine with anions: (Hthiamine)(thiamine) heptaiododimercurate dihydrate and its dimethanol monohydrate","Acta Crystallographica Section C","1999","55","3","304","308","10.1107/S0108270198013407","","","0.71073","MoKα","","0.101","0.042","","0.147","0.108","","","","0.87","","","0.924","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008207","11.797","0.001","19.238","0.002","22.012","0.004","90","","98.57","0.01","90","","4939.9","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","{3-[(1-protonated-4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4- methylthiazolium}{3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5- (2-hydroxyethyl)-4-methylthiazolium} heptaiododimercurate dimethanol-monohydrate","","- C26 H45 Hg2 I7 N8 O5 S2 -","- C26 H40 Hg2 I7 N8 O5 S2 -","- C104 H160 Hg8 I28 N32 O20 S8 -","4","0.5","BM1259","Hu, Ning-Hai; Liu, Yong-Sheng; Aoki, Katsuyuki","Interactions of thiamine with anions: (Hthiamine)(thiamine) heptaiododimercurate dihydrate and its dimethanol monohydrate","Acta Crystallographica Section C","1999","55","3","304","308","10.1107/S0108270198013407","","","0.71073","MoKα","","0.105","0.053","","0.161","0.131","","","","0.998","","","1.108","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008208","7.4875","0.0006","14.4756","0.0014","12.1879","0.0012","90","","92.702","0.007","90","","1319.5","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-Trymethylpyridine benzoic acid","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","BM1262","Foces-Foces, C.; Llamas-Saiz, A.L.; Lorente, P; Golubev, N.S.; Limbach, H.-H.","Three 2,4,6-trimethylpyridine–benzoic acid complexes at 150K","Acta Crystallographica Section C","1999","55","3","377","381","10.1107/S0108270198013766","","","1.5418","CuKα","","0.083","0.068","","0.103","0.091","","","","0.992","1","1","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008209","25.732","0.003","7.8359","0.0004","13.954","0.001","90","","90","","90","","2813.6","0.4","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4,6-Trymethylpyridinium ortho-nitro-benzoate","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C120 H128 N16 O32 -","8","1","BM1262","Foces-Foces, C.; Llamas-Saiz, A.L.; Lorente, P; Golubev, N.S.; Limbach, H.-H.","Three 2,4,6-trimethylpyridine–benzoic acid complexes at 150K","Acta Crystallographica Section C","1999","55","3","377","381","10.1107/S0108270198013766","","","1.5418","CuKα","","0.068","0.059","","0.077","0.07","","","","0.944","0.947","0.947","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008210","7.5078","0.0004","7.319","0.0004","27.632","0.008","90","","92.06","0.009","90","","1517.4","0.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-Trymethylpyridinium 3,5-dinitro-benzoate","","- C15 H15 N3 O6 -","- C15 H15 N3 O6 -","- C60 H60 N12 O24 -","4","1","BM1262","Foces-Foces, C.; Llamas-Saiz, A.L.; Lorente, P; Golubev, N.S.; Limbach, H.-H.","Three 2,4,6-trimethylpyridine–benzoic acid complexes at 150K","Acta Crystallographica Section C","1999","55","3","377","381","10.1107/S0108270198013766","","","1.5418","CuKα","","0.048","0.044","","0.054","0.052","","","","0.964","0.977","0.977","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008211","6.834","0.001","9.672","0.001","11.317","0.001","91.72","0.01","96.56","0.01","97.27","0.01","736.41","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1D1CC","4'-propen-1-ylbicyclohexyl-4-carbonitrile","","- C16 H25 N -","- C16 H25 N -","- C32 H50 N2 -","2","1","BM1266","Gupta, Sakuntala; Bhattacharyya, Kinkini; SenGupta, S.P.; Paul, Sukla; Alajos, Kalman; Laszlo, Parkanyi","A mesogenic alkenyl compound","Acta Crystallographica Section C","1999","55","3","403","405","10.1107/S0108270198013791","","","0.7107","MoKα","","0.0882","0.0445","","0.1511","0.1376","","","","1.03","1.307","1.307","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008212","11.8241","0.0005","11.8241","0.0005","19.8441","0.0011","90","","90","","120","","2402.7","0.2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexa(dimethylsulfoxide-O)nickel(II) tetraiodide(2-)","","- C12 H36 I4 Ni O6 S6 -","- C12 H36 I4 Ni O6 S6 -","- C36 H108 I12 Ni3 O18 S18 -","3","0.166667","BM1277","De-Liang Long; Huai-Ming Hu; Jiu-Tong Chen; Jin-Shun Huang","[Ni{(CH~3~)~2~SO}~6~]I~4~, a redetermination and reinterpretation","Acta Crystallographica Section C","1999","55","3","339","341","10.1107/S0108270198013055","","","0.71073","MoKα","","0.024","0.019","","0.041","0.039","","","","1.131","1.159","1.159","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008213","7.3648","0.0005","8.1825","0.0006","32.657","0.002","90","","90","","90","","1968","0.2","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-(2S)-2-[(dimethylaminium)methyl]-1-[(5,6,7,8-tetrahydro-5-oxo-2-naphtyl) acetyl]piperidine chloride","","- C20 H29 Cl N2 O2 -","- C20 H29 Cl N2 O2 -","- C80 H116 Cl4 N8 O8 -","4","1","BM1280","Peeters, Oswald M.; Jamroz, Dorota; Norbert M. Blaton; Camiel J. De Ranter","Novel selective κ-opioid ligands","Acta Crystallographica Section C","1999","55","3","458","461","10.1107/S0108270198012736","","","1.54184","CuKα","","0.041","0.0375","","0.1208","","0.1208","","","1.136","","","1.136","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008214","7.2011","0.0008","7.63","0.0006","41.223","0.003","90","","90","","90","","2265","0.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-(2S)-2-[(Methylethylaminium)methyl]-1-[(5,6,7,8-tetrahydro-5-oxo-2- naphthyl)acetyl]piperidine chloride dihydrate","","- C21 H35 Cl N2 O4 -","- C21 H35 Cl N2 O4 -","- C84 H140 Cl4 N8 O16 -","4","1","BM1280","Peeters, Oswald M.; Jamroz, Dorota; Norbert M. Blaton; Camiel J. De Ranter","Novel selective κ-opioid ligands","Acta Crystallographica Section C","1999","55","3","458","461","10.1107/S0108270198012736","","","1.54184","CuKα","","0.0819","0.05","","0.1302","","0.1302","","","1.062","","","1.062","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008215","12.2516","0.0008","13.2439","0.0009","10.1913","0.0007","90","","90.291","0.002","90","","1653.61","0.19","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,4,6,7-hexahydro-10-methyl-naphtho[2,3-c]acridine","","- C22 H21 N -","- C22 H21 N -","- C88 H84 N4 -","4","1","BM1281","Jayanta Kumar Ray; Manas Kumar Haldar; Susmita Gupta; Kandasamy Chinnakali; Hoong-Kun Fun","7,8,10,11,12,13-Hexahydro-4-methylnaphtho[2,3-<i>c</i>]acridine","Acta Crystallographica Section C","1999","55","3","397","399","10.1107/S0108270198013225","","","0.71073","MoKα","","0.163","0.074","","","","0.241","","","","","","1.021","","","","has coordinates,has disorder","301791","2025-08-18","23:15:32",""
"2008216","8.4793","0.0002","22.5318","0.001","9.7774","0.0003","90","","90","","90","","1868.01","0.11","293","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","","Tris(2-aminobenzyl)amine","","- C21 H24 N4 -","- C21 H24 N4 -","- C84 H96 N16 -","4","1","BM1283","Foces-Foces, C.; Llamas-Saiz, A.L.; Alajarín, M.; López-Lázaro, A.; Molina, P.","Two <i>C</i>~3~-symmetrical tris(<i>ortho</i>-substituted) tribenzylamines","Acta Crystallographica Section C","1999","55","3","373","377","10.1107/S0108270198013857","","","1.5418","CuKα","","0.03","0.029","","0.031","0.03","","","","0.901","","","0.891","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008217","18.1459","0.0006","18.1459","0.0006","12.2532","0.0005","90","","90","","120","","3494.1","0.2","150","","150","","","","","","","","","7","R 3 :H","R 3","146","","N-Methyl-N,N,N-tris[2-(triethoxyphosphoranylideneamino)benzyl] ammonium","","- C40 H66 B F4 N4 O9 P3 -","- C40 H66 B F4 N4 O9 P3 -","- C120 H198 B3 F12 N12 O27 P9 -","3","0.333333","BM1283","Foces-Foces, C.; Llamas-Saiz, A.L.; Alajarín, M.; López-Lázaro, A.; Molina, P.; N-Methyl-N,N,N-tris[2-(triethoxyphosphoranylideneamino)benzyl] ammonium","Two <i>C</i>~3~-symmetrical tris(<i>ortho</i>-substituted) tribenzylamines","Acta Crystallographica Section C","1999","55","3","373","377","10.1107/S0108270198013857","","","1.5418","CuKα","","0.042","0.042","","0.048","0.048","","","","1.518","","","1.517","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008218","12.9598","0.0016","53.6","0.003","8.2907","0.0012","90","","90","","90","","5759.1","1.1","293","2","180","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2-[5-(3-Bromophenyl)pyrazol-3-yl]-3-(pyrrol-2-yl)acrylonitrile","","- C16 H11 Br N4 -","- C16 H11 Br N4 -","- C256 H176 Br16 N64 -","16","1","BM1286","Kumar, A.; Parmar, V. S.; Errington, W.","(<i>E</i>)-2-[5-(3-Bromophenyl)pyrazol-3-yl]-3-(pyrrol-2-yl)acrylonitrile","Acta Crystallographica Section C","1999","55","3","456","457","10.1107/S0108270198013067","","","0.71073","MoKα","","0.0679","0.0457","","","","0.0986","","","","","","0.994","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008219","17.882","0.005","6.8049","0.0009","11.712","0.006","90","","90","","90","","1425.2","0.9","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H13 Ca2 N O11 -","- C6 H13 Ca2 N O11 -","- C24 H52 Ca8 N4 O44 -","4","0.5","BM1288","Cooksey, Brian G.; Gibson, Lorraine T.; Kennedy, Alan R.; Littlejohn, David; Stewart, Lesley; Tennent, Norman H.","Dicalcium triacetate nitrate dihydrate","Acta Crystallographica Section C","1999","55","3","324","326","10.1107/S0108270198012864","","","0.71069","MoKα","","0.085","0.035","","","","0.106","","","","","","1.023","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008220","7.733","0.002","6.295","0.002","34.222","0.005","90","","95.32","0.03","90","","1658.7","0.7","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-(1'-N,N-dimethylaminophen-4'-yl)-3,4,4a,5,6,10,10a-heptahydroanthracen-2-one","","- C22 H25 N O -","- C22 H25 N O -","- C88 H100 N4 O4 -","4","1","BM1290","Lawrentz, Ulf; Grahn, Walter; Dix, Ina; Jones, Peter G.","Bond-length alternation in rigidized merocyanines","Acta Crystallographica Section C","1999","55","3","446","450","10.1107/S0108270198013778","","","0.71073","MoKα","","0.1311","0.0637","","0.1498","0.1177","","","","1.028","1.107","1.107","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008221","32.972","0.007","8.046","0.002","19.647","0.004","90","","122.371","0.015","90","","4402.2","1.8","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-dicyanomethylene-7-(2'-piperidinothien-5'-yl)-3,4,4a,5,6,10,10a- heptahydroanthracene","","- C26 H27 N3 S -","- C26 H27 N3 S -","- C208 H216 N24 S8 -","8","1","BM1290","Lawrentz, Ulf; Grahn, Walter; Dix, Ina; Jones, Peter G.","Bond-length alternation in rigidized merocyanines","Acta Crystallographica Section C","1999","55","3","446","450","10.1107/S0108270198013778","","","0.71073","MoKα","","0.1185","0.0632","","0.1452","0.1194","","","","1.026","1.096","1.096","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008222","8.2103","0.0001","25.6785","0.0006","11.6874","0.0002","90","","105.004","0.001","90","","2380.03","0.08","203","2","203","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2'R,6'R)-1-Methoxy-4-(2""-methylprop-2""-enyloxy)-2-(4',4',6'-trimethyl- 1',3'-dioxan-2'-yl)anthraquinone","","- C26 H28 O6 -","- C26 H28 O6 -","- C104 H112 O24 -","4","2","BM1293","Cambie, Richard C.; Lorimer, Rachel M.; Rickard, Clifton E. F.; Rutledge, P. Stewart","Two dioxane derivatives of anthraquinone","Acta Crystallographica Section C","1999","55","3","436","439","10.1107/S0108270198014541","","","0.71073","MoKα","","0.06","0.043","","","","0.11","","","","","","1.051","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008223","6.793","0.0001","14.0076","0.0002","22.277","0.0001","90","","90","","90","","2119.74","0.04","203","2","203","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2'R,6'R)-4-Hydroxy-3-(2""methylprop-2""-enyloxo)-2-(4',4',6'-trimethyl- 1',3'-dioxan-2'-yl)anthraquinone.","","- C25 H26 O5 -","- C25 H26 O5 -","- C100 H104 O20 -","4","1","BM1293","Cambie, Richard C.; Lorimer, Rachel M.; Rickard, Clifton E. F.; Rutledge, P. Stewart","Two dioxane derivatives of anthraquinone","Acta Crystallographica Section C","1999","55","3","436","439","10.1107/S0108270198014541","","","0.71073","MoKα","","0.044","0.034","","","","0.086","","","","","","1.035","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008224","14.984","0.008","14.437","0.005","25.361","0.009","90","0.02","107.39","0.03","90","0.03","5235","4","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquanonaphenyltristiboxane diperchlorate","","- C54 H49 Cl2 O12 Sb3 -","- C54 H49 Cl2 O12 Sb3 -","- C216 H196 Cl8 O48 Sb12 -","4","0.5","BM1295","Baker, L-J; Rickard, Clifton E. F.; Taylor, Michael J.","Diaquanonaphenyltristiboxane diperchlorate","Acta Crystallographica Section C","1999","55","3","335","337","10.1107/S0108270198014632","","","0.71069","MoKα","","0.051","0.034","","","","0.098","","","","","","1.052","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008225","10.2981","0.0008","10.8896","0.0009","12.1733","0.0007","90","","90","","90","","1365.14","0.17","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4S,5R)-(-)-2-(1,3-thiazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine","","- C14 H16 N2 O S -","- C14 H16 N2 O S -","- C56 H64 N8 O4 S4 -","4","1","BM1296","Fitzsimons, Lavelle M.; Gallagher, John F.","Intermolecular C—H···N and C—H···O interactions in (2<i>S</i>,4<i>S</i>,5<i>R</i>)-(–)-3,4-dimethyl-5-phenyl-2-(1,3-thiazol-2-yl)-1,3-oxazolidine","Acta Crystallographica Section C","1999","55","3","472","474","10.1107/S0108270198014103","","","0.7107","MolybdenumKα","","0.0434","0.0347","","","","0.0905","","","","","","1.024","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008226","10.422","0.005","10.422","0.005","7.467","0.003","90","","90","","120","","702.4","0.6","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","pentalead tris(vanadate) iodide","","","- I1.7 O24 Pb9.85 V6 -","- I1.704 O24 Pb9.844 V6 -","- I1.704 O24 Pb9.844 V6 -","1","0.0833333","BR1208","Fabienne Audubert; Jean-Michel Savariault; Jean-Louis Lacout","Pentalead tris(vanadate) iodide, a defect vanadinite-type compound","Acta Crystallographica Section C","1999","55","3","271","273","10.1107/S0108270198005034","","","0.71073","MoKα","","0.0526","0.0364","","","0.0783","0.0705","","","","","","0.834","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008227","15.181","0.009","5.0319","0.0008","20.76","0.004","90","","109.07","0.03","90","","1498.8","1","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","sodium vanadate","","- Na4.5 O17.5 V7 -","- Na4.5 O17.5 V7 -","- Na18 O70 V28 -","4","1","BR1224","Millet, Patrice; Henry, Jean-Yves; Galy, Jean","The vanadium oxide bronze η-Na~<i>x~</i>V~2~O~5~ (<i>x</i> = 1.286)","Acta Crystallographica Section C","1999","55","3","276","279","10.1107/S010827019801587X","","","0.71069","MoKα","","0.106","0.045","","0.127","0.112","","","","0.963","1.176","1.176","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008228","17.38","0.003","11.6","0.002","13.418","0.003","90","","110.92","0.03","90","","2526.9","1","292","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Co N7 O6 -","- C27 H21 Co N7 O6 -","- C108 H84 Co4 N28 O24 -","4","0.5","CF1249","Fu, You-Jun; Gao, Zhang-Shou; Yang, Hao; Dai, Wenning; Wang, Defen; Hu, Hongwen; Tang, Wenxia; Zhang, Zeying; Mak, Thomas C.W.","A monohelical cobalt(II) complex of a quinquepyridine ligand","Acta Crystallographica Section C","1999","55","3","349","351","10.1107/S0108270198013651","","","0.71073","MoKα","","","0.054","","","0.061","","","","","1.25","1.25","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008229","7.7544","0.0002","31.6493","0.001","13.2174","0.0004","90","","93.004","0.001","90","","3239.37","0.16","150","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(saccharinato)aquabis(2,2'-bipyridene)manganese(II)saccharinate","","- C34 H26 Mn N6 O7 S2 -","- C34 H26 Mn N6 O7 S2 -","- C136 H104 Mn4 N24 O28 S8 -","4","1","CF1256","Dillon, Keith B.; Bilton, Clair; Howard, Judith A. K.; Hoy, Vanessa J.; Deng, Robert M. K.; Sethatho, David T.","The first manganese(II) compound with the saccharinate ligand present both in the complex cation and as the counter-ion: [Mn(bipy)~2~(sac)(H~2~O)]^+^^.^sac^{-^}","Acta Crystallographica Section C","1999","55","3","330","332","10.1107/S0108270198013663","","","0.71073","MoKα","","","0.048","","","0.079","0.105","","","","1.065","1.065","1.064","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008230","16.5433","0.0004","16.4583","0.0005","12.3847","0.0002","90.0107","0.0003","103.965","0.001","90.0089","0.0011","3272.37","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-dicyano-4-thiodiphenylaminobenzene","","- C20 H11 N3 S -","- C20 H11 N3 S -","- C160 H88 N24 S8 -","8","2","CF1257","Sema Öztürk; Şamil Işık; Hoong-Kun Fun; Engin Kendi; Erbil Ag̃ar; Selami Şaşmaz; Abdul Razak İbrahim","4-(Phenothiazin-10-yl)benzene-1,2-dicarbonitrile","Acta Crystallographica Section C","1999","55","3","395","397","10.1107/S0108270198012347","","","0.71073","MoKα","","0.0515","0.036","","0.0949","0.0856","","","","1.034","1.071","1.071","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008231","8.735","0.002","9.093","0.002","15.64","0.003","82.94","0.03","85.85","0.02","81.76","0.02","1218.2","0.5","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Sodium Aquo(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato)holmium(III) Tetrahydrate.","","- C16 H34 Ho N4 Na O13 -","- C16 H34 Ho N4 Na O13 -","- C32 H68 Ho2 N8 Na2 O26 -","2","1","CF1277","Benetollo, Franco; Bombieri, Gabriella; Aime, Silvio; Botta, Mauro","A holmium complex of a macrocyclic ligand (DOTA) and its isostructural europium analogue","Acta Crystallographica Section C","1999","55","3","353","356","10.1107/S0108270198014450","","","0.71073","MoKα","","0.024","0.024","","0.061","0.061","","","","1.069","1.069","1.069","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008232","8.734","0.002","9.116","0.003","15.773","0.003","82.83","0.03","85.34","0.03","81.43","0.02","1229.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Sodium Aquo(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato)europium(III) Tetrahydrate.","","- C16 H34 Eu N4 Na O13 -","- C16 H34 Eu N4 Na O13 -","- C32 H68 Eu2 N8 Na2 O26 -","2","1","CF1277","Benetollo, Franco; Bombieri, Gabriella; Aime, Silvio; Botta, Mauro","A holmium complex of a macrocyclic ligand (DOTA) and its isostructural europium analogue","Acta Crystallographica Section C","1999","55","3","353","356","10.1107/S0108270198014450","","","0.71073","MoKα","","0.019","0.019","","0.052","0.051","","","","1.109","1.109","1.109","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2008233","30.968","0.002","6.003","0.002","11.394","0.002","90","","107.26","0.01","90","","2022.8","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Z-Proψ[CO-N(NH2)]-Ala-NH^i^Pr","","","- C19 H28 N4 O4 -","- C19 H28 N4 O4 -","- C76 H112 N16 O16 -","4","1","CF1278","Aubry, Andre; Del Duca, Valerio; Pedone, Carlo; Zerkout, Said; Marraud, Michel","Dipeptide (<i>Z</i>)-Pro-ψ[CO-N(NH~2~)]-Ala-NH^<i>i^</i>Pr","Acta Crystallographica Section C","1999","55","3","439","441","10.1107/S0108270198013675","","","1.5418","CuKα","","0.0925","0.0543","","0.1588","0.1163","","","","0.971","1.078","1.078","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008234","9.3761","0.0006","9.4407","0.0005","10.7822","0.0006","71.424","0.003","87.87","0.01","67.852","0.003","834.18","0.09","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","trans-Diiodobis(triphenylphosphine)palladium(II)","","- C36 H30 I2 P2 Pd -","- C36 H30 I2 P2 Pd -","- C36 H30 I2 P2 Pd -","1","0.5","CF1284","Cave, Gareth W. V.; Errington, William; Rourke, Jonathan P.","<i>trans</i>-Diiodobis(triphenylphosphine)palladium(II)","Acta Crystallographica Section C","1999","55","3","320","322","10.1107/S0108270198015868","","","0.71073","MoKα","","0.047","0.034","","","","0.094","","","","","","1.012","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008235","11.173","0.004","7.324","0.005","12.024","0.008","90","","97.82","0.04","90","","974.8","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Homolycorine Hydrochloride dihydrate","(1S,5S,4aR,10bS)-8,9-diethoxy-N-methyl-(2)benzopyran(3,4-g)indolin-6-one","","- C18 H26 Cl N O6 -","- C18 H24 Cl N O6 -","- C36 H48 Cl2 N2 O12 -","2","1","CF1288","Francesc Viladomat; Jaume Bastida; Carles Codina; Xavier Solans; 'Mercè Font-Bardia","Homolycorine hydrochloride dihydrate","Acta Crystallographica Section C","1999","55","3","385","387","10.1107/S0108270198014644","","","0.71069","MoKα","","0.0439","0.0329","","","","0.0568","","","","","","0.875","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008236","15.018","0.005","18.383","0.004","14.671","0.007","98.91","0.03","117.43","0.03","97.21","0.02","3461","2","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","1-chloro-1-hydrido-2,6-di(2-hydroxyethoxy)-1,3,5-tris(triphenylphosphine)- iso-closo-1-ruthenadecaborane‒trichloromethane (1:1.2)","","- C59.2 H62.2 B9 Cl4.6 O4 P3 Ru -","- C59.2 H62.2 B9 Cl4.6 O4 P3 Ru -","- C118.4 H124.4 B18 Cl9.2 O8 P6 Ru2 -","2","1","DA1032","Hai-Jun Yao; Chun-Hua Hu; Jian-Min Dou; Jie Sun; Jing-De Wei; Ruo-Shui Jin; Zu-En Huang; Pei-Ju Zheng","A degraded glycol-substituted <i>iso</i>-<i>closo</i> ten-vertex ruthenaborane: [(PPh~3~)HClRuB~9~H~5~(OCH~2~CH~2~OH)~2~(PPh~3~)~2~]^.^1.2CHCl~3~","Acta Crystallographica Section C","1999","55","3","337","339","10.1107/S0108270198013237","","","0.71069","MoKα","","0.17","0.07","","","","0.242","","","","","","1.052","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008237","9.027","0.001","11.095","0.003","7.275","0.002","106.23","0.02","108.02","0.02","78.09","0.02","659.5","0.3","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Co N2 O10 -","- C24 H32 Co N2 O10 -","- C24 H32 Co N2 O10 -","1","0.5","DA1034","Okabe, Nobuo; Makino, Tomomi","<i>trans</i>-Diaquabis(quinoline-2-carboxylato-<i>N</i>,<i>O</i>)cobalt(II)–water–ethanol (1/2/2)","Acta Crystallographica Section C","1999","55","3","300","302","10.1107/S0108270198013584","","","0.71069","MoKα","","","0.063","","","0.097","","","","","1.5","1.5","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008238","10.735","0.002","13.31","0.002","5.205","0.001","90","","90","","90","","743.7","0.2","296","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H14 Co N4 O6 -","- C12 H14 Co N4 O6 -","- C24 H28 Co2 N8 O12 -","2","0.5","DA1037","Okabe, Nobuo; Adachi, Yukari","Bis[2-hydroxy-3-(1<i>H</i>-imidazol-4-yl)propionato]cobalt(II)","Acta Crystallographica Section C","1999","55","3","302","304","10.1107/S0108270198013614","","","0.71069","MoKα","","","0.032","","","0.048","","","","","1.25","1.25","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008239","4.906","0.003","14.838","0.005","19.488","0.003","90","","90","","90","","1418.6","1","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-hydroxy-5-hydroxymethyltetrahydrofuran-2-yl)-5-methoxymethyl- 4-dimethylamino-(1H)-pyrimidin-2-one","","- C13 H21 N3 O5 -","- C13 H21 N3 O5 -","- C52 H84 N12 O20 -","4","1","DA1046","Audette, Gerald F.; Zoghaib, Wajdi M.; Gupta, Sagar V.; Quail, J. Wilson; Delbaere, Louis T. J.","<i>N</i>,<i>N</i>-Dimethyl-5-methoxymethyl-2'-deoxycytidine","Acta Crystallographica Section C","1999","55","3","427","430","10.1107/S0108270198013249","","","0.7093","MoKα","","0.046","0.037","","","","0.09","","","","","","1.065","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008240","6.5429","0.0008","9.0345","0.0009","23.894","0.004","90","0.011","90","0.011","90","0.01","1412.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Equilin","3-Hydroxyestra-1,3,5(10),7-tetraen-17-one","","- C18 H20 O2 -","- C18 H20 O2 -","- C72 H80 O8 -","4","1","DA1048","Sawicki, Mark W.; Li, Naiyin; Ghosh, Debashis","Equilin","Acta Crystallographica Section C","1999","55","3","425","427","10.1107/S0108270198013250","","","1.54178","CuKα","","0.052","0.05","","","","0.134","","","","","","1.071","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008241","10.115","0.003","10.757","0.004","30.986","0.004","90","","96.24","0.02","90","","3351.5","1.7","297","","297","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H50 Cl8 Cu2 N2 O18 -","- C62 H50 Cl8 Cu2 N2 O18 -","- C124 H100 Cl16 Cu4 N4 O36 -","2","0.5","DA1053","Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Noguchi, Masakazu; Tokii, Tadashi","A dimeric copper(II) bis(4-chlorophenoxy)acetate adduct with dimethylformamide","Acta Crystallographica Section C","1999","55","3","316","318","10.1107/S0108270198014899","","","0.71073","MoKα","","0.065","0.059","","","","0.062","","","","","","1.795","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008242","8.045","0.002","8.937","0.002","26.773","0.003","90","0.01","90","0.01","90","0.02","1924.9","0.7","293","2","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5'-(toluenesulfonyl)adenosine","","- C17 H19 N5 O6 S -","- C17 H19 N5 O6 S -","- C68 H76 N20 O24 S4 -","4","1","DE1093","D. Prahadeeswaran; T. Parthasarathy Seshadri","5'-<i>O</i>-(Toluenesulfonyl)adenosine","Acta Crystallographica Section C","1999","55","3","389","391","10.1107/S0108270198013262","","","1.5418","CuKα","","0.055","0.039","","0.129","0.115","","","","1.032","1.049","1.049","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008243","4.851","0.002","13.535","0.003","14.013","0.005","90","","97.28","0.01","90","","912.7","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N^4^Anisoylcytidine Dihydrate","","- C17 H23 N3 O9 -","- C17 H23 N3 O9 -","- C34 H46 N6 O18 -","2","1","DE1095","S. Kolappan; T. P. Seshadri","<i>N</i>^4^-Anisoylcytidine dihydrate","Acta Crystallographica Section C","1999","55","3","391","392","10.1107/S0108270198013274","","","1.5418","CuKα","","0.049","0.042","","0.132","0.117","","","","1.051","1.062","1.062","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008244","16.239","0.003","11.717","0.003","11.627","0.004","90","","93.69","0.02","90","","2207.7","1","298.2","","298.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Troglitazone","5-{4-[(4a,5,6,7,8,8a-hexahydro-6-hydroxy-2,5,7,8-tetramethylchroman-2- yl)methyloxy]benzyl}thiazolidine-2,4-dione","","- C24 H27 N O5 S -","- C24 H27 N O5 S -","- C96 H108 N4 O20 S4 -","4","1","DE1099","K. Vyas; A. Sivalakshmidevi; C. Prabhakar; G. Om Reddy","Troglitazone, an euglycemic antidiabetic drug","Acta Crystallographica Section C","1999","55","3","411","413","10.1107/S010827019801467X","","","1.5418","CuKα","","0.092","0.062","","0.058","","0.056","","","1.828","","","2.039","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008245","29.501","0.002","8.5509","0.0014","7.963","0.003","90","","101.15","0.02","90","","1970.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(méta-anisidinium) Dihydrogénodiphosphate","","- C14 H22 N2 O9 P2 -","- C14 H22 N2 O9 P2 -","- C56 H88 N8 O36 P8 -","4","0.5","DU1178","Ould Abdellahi, Mohamed; Ben Amor, Fatma; Driss, Ahmed; Jouini, Tahar","Bis(<i>m</i>-anisidinium) dihydrogénodiphosphate","Acta Crystallographica Section C","1999","55","3","474","476","10.1107/S010827019801155X","","","0.71069","MoKα","","0.0899","0.0516","","0.1296","0.1107","","","","1.058","1.145","1.145","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008246","14.5297","0.0016","8.2314","0.0014","14.3684","0.0018","90","","90","","90","","1718.5","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H16 Cl2 N2 Ni S2 -","- C14 H16 Cl2 N2 Ni S2 -","- C56 H64 Cl8 N8 Ni4 S8 -","4","0.5","FG1490","Thangarasu Pandiyan; Bernès, Sylvain; Durán de Bazúa, Carmen","Dichloro[2,2'-(2,5-dithiahexamethylene)dipyridine-<i>N</i>,<i>N</i>',<i>S</i>,<i>S</i>']nickel(II)","Acta Crystallographica Section C","1999","55","3","318","320","10.1107/S010827019801422X","","","0.71073","MoKα","","0.0445","0.03","","","0.0641","0.0694","","","","","","1.013","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008247","11.009","0.002","5.949","0.001","14.466","0.003","90","","105.66","0.01","90","","912.2","0.3","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","FG1506","Zukerman-Schpector, J.; Biaggio, Francisco C.; Rufino, Alessandra R.; Caracelli, I.","Two new spiro lactam-lactones","Acta Crystallographica Section C","1999","55","3","416","419","10.1107/S0108270198010403","","","0.71073","MoKα","","0.1783","0.074","","0.2297","","0.163","","","1.029","","","1.026","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008248","9.991","0.001","10.098","0.001","10.576","0.001","90","","108.98","0.01","90","","1008.99","0.18","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","FG1506","Zukerman-Schpector, J.; Biaggio, Francisco C.; Rufino, Alessandra R.; Caracelli, I.","Two new spiro lactam-lactones","Acta Crystallographica Section C","1999","55","3","416","419","10.1107/S0108270198010403","","","0.71073","MoKα","","0.1631","0.047","","0.1326","","0.104","","","0.97","","","0.97","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008249","6.9403","0.0005","9.948","0.0007","9.5931","0.0007","90","","90","","90","","662.33","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H6 O6 Pb -","- C4 H6 O6 Pb -","- C16 H24 O24 Pb4 -","4","0.5","FG1511","Norberg, Stefan; Svensson, Göran; Albertsson, Jörgen","Lead(II) oxydiacetate hydrate","Acta Crystallographica Section C","1999","55","3","356","358","10.1107/S0108270198014115","","","0.71073","MoKα","","0.061","0.044","","0.129","","0.112","","","1.158","","","1.197","","","","has coordinates,has disorder","301791","2025-08-18","23:15:32",""
"2008250","10.458","0.002","7.619","0.002","13.28","0.002","90","","91.94","0.01","90","","1057.5","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-3-Oxo-5α-cholan-24-oic Acid","(+)-3-Oxo-5α-cholan-24-oic Acid","","- C24 H38 O3 -","- C24 H38 O3 -","- C48 H76 O6 -","2","1","FG1512","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(+)-3-Oxo-5α-cholan-24-oic acid: catemeric hydrogen bonding in a steroidal keto acid","Acta Crystallographica Section C","1999","55","3","419","422","10.1107/S0108270198012931","","","0.71073","MoKα","","0.069","0.046","","0.122","0.101","","","","1.07","1.1","1.1","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008251","11.401","0.001","14.698","0.002","5.0903","0.0006","90","","94.53","0.009","90","","850.33","0.17","293","2","288","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-hydroxyethyl-2,2'-biimidazole","","- C8 H10 N4 O -","- C8 H10 N4 O -","- C32 H40 N16 O4 -","4","1","FG1514","Lin, Geng; Collier, Harvest; Baughman, Russell G.","1-Hydroxyethyl-2,2'-biimidazole","Acta Crystallographica Section C","1999","55","3","476","478","10.1107/S0108270198017387","","","0.71073","MoKα","","0.063","0.04","","0.113","0.095","","","","1.012","1.075","1.075","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008252","7.579","0.002","17.55","0.002","11.111","0.005","90","","90","","90","","1477.9","0.8","296","","296","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C8 H20 N6 Ni S2 -","- C8 H20 N6 Ni S2 -","- C32 H80 N24 Ni4 S8 -","4","0.5","FR1148","Moore, Stephanie L.; Philip J. Squattrito","Bis(1,3-propanediamine-<i>N</i>,<i>N</i>')bis(thiocyanato-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1999","55","3","332","334","10.1107/S0108270198013419","","","0.7107","MoKα","","","0.04","","","","0.05","","","","","","2.12","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008253","8.817","0.002","9.872","0.002","13.672","0.003","90","","90","","90","","1190","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Idazoxan hydrobromide","2-(1,4-benzodioxan-2-yl)imidazolinium bromide","","- C11 H13 Br N2 O2 -","- C11 H13 Br N2 O2 -","- C44 H52 Br4 N8 O8 -","4","1","FR1149","Brunel, Serge; Maurel, Jean Louis; Ribet, Jean Paul; Monconduit, Laure; Tillard, Monique; Belin, Claude","Absolute configuration of 2-(1,4-benzodioxan-2-yl)imidazolinium bromide","Acta Crystallographica Section C","1999","55","3","441","443","10.1107/S0108270198013286","","","0.71073","MoKα","","0.08","0.036","","","","0.089","","","","","","0.959","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008254","9.871","0.002","11.044","0.002","13.117","0.003","87.403","0.008","89.625","0.004","67.3872","0.0011","1318.6","0.5","180","","180","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H15 N3 S2 -","- C12 H15 N3 S2 -","- C48 H60 N12 S8 -","4","2","FR1159","John S. Davidson; Steven J. Rettig; James Trotter","Fromm's methylphenyldithiodimethylketuret","Acta Crystallographica Section C","1999","55","3","434","436","10.1107/S0108270198013432","","","0.71069","MoKα","","0.1182","0.04","","0.0768","0.077","","","","1.02","","","1.02","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008255","12.8953","0.0017","10.0927","0.0011","14.413","0.002","90","","106.638","0.012","90","","1797.2","0.4","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","paroxetine hydrochloride hemihydrate","","","- C19 H22 Cl F N O3.5 -","- C19 H22 Cl F N O3.5 -","- C76 H88 Cl4 F4 N4 O14 -","4","2","","Ibers, James A.","Paroxetine hydrochloride hemihydrate","Acta Crystallographica Section C","1999","55","3","432","434","10.1107/S0108270198013444","","","","","","","","","","","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008256","8.7931","0.0005","9.2891","0.0004","13.2423","0.0009","89.657","0.004","73.646","0.007","82.804","0.005","1029.21","0.11","291","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 F6 Na O7 -","- C15 H21 F6 Na O7 -","- C30 H42 F12 Na2 O14 -","2","1","GD1004","Farrugia, Louis J.; Watson, Ian M.","(1,1,1,5,5,5-Hexafluoro-2,4-pentanedionato-<i>O</i>,<i>O</i>')(1,4,7,10,13-pentaoxapentadecane-κ^5^<i>O</i>)sodium","Acta Crystallographica Section C","1999","55","3","326","328","10.1107/S0108270198013031","","","0.71073","MoKα","","","0.055","","","","0.175","","","","","","1.045","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008257","20.43","0.004","5.591","0.004","5.288","0.0006","90","","93.26","0.01","90","","603","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Nitrate d'Argent et de Césium: AgCs(NO~3~)~2~","","- Ag Cs N2 O6 -","- Ag Cs N2 O6 -","- Ag4 Cs4 N8 O24 -","4","0.5","GS1014","Ben Amor, Fatma; Hellali, Dalila; Zamali, Hmida","Nitrate d'argent et de césium: AgCs(NO~3~)~2~","Acta Crystallographica Section C","1999","55","3","281","282","10.1107/S0108270198013304","","","0.71069","MoKα","","0.045","0.043","","0.129","0.128","","","","1.265","1.29","1.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008258","10.9742","0.0007","14.467","0.001","6.731","0.001","90","","104.28","0.01","90","","1035.62","0.19","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Nickel potassium arsenate.","","- As6 K4 Ni7 O24 -","- As6 K4 Ni7 O24 -","- As12 K8 Ni14 O48 -","2","0.25","GS1015","Ben Smail, Ridha; Driss, Ahmed; Jouini, Tahar","K~4~Ni~7~(AsO~4~)~6~","Acta Crystallographica Section C","1999","55","3","284","286","10.1107/S0108270198012293","","","0.71069","MoKα","","0.0379","0.0339","","0.0812","0.0798","","","","1.264","1.306","1.306","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008259","11.992","0.003","15.932","0.002","7.222","0.002","90","","90","","90","","1379.8","0.5","293","","293","","","","","","","","","4","F d d 2","F 2 -2d","43","Strontium vanadium monophosphate","","","- O10 P2 Sr V2 -","- O10 P2 Sr V2 -","- O80 P16 Sr8 V16 -","8","0.5","GS1016","Berrah, Fadila; Leclaire, André; Borel, Marie-Madeleine; Guesdon, Anne; Raveau, Bernard","A new vanadium(IV) monophosphate, Sr(VO)~2~(PO~4~)~2~, isotypic with Ca(VO)~2~(PO~4~)~2~","Acta Crystallographica Section C","1999","55","3","288","291","10.1107/S0108270198012372","","","0.71073","Mo_Kα","","0.042","0.042","","0.041","0.041","","","","2.454","2.454","2.454","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008260","25.867","0.002","17.085","0.002","20.363","0.003","90","","106.328","0.002","90","","8636.2","1.8","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H53 N3 O9 -","- C51 H53 N3 O9 -","- C408 H424 N24 O72 -","8","2","GS1018","Thuéry, Pierre; Nierlich, Martine; Saadioui, Mohamed; Asfari, Zouhair; Vicens, Jacques","A 2,2'-azobenzene-substituted calix[4]arene-crown-6","Acta Crystallographica Section C","1999","55","3","443","445","10.1107/S0108270198013882","","","0.71073","MoKα","","","0.0591","","0.1638","0.1015","","","","0.822","1.042","1.042","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008261","7.7385","0.0012","12.199","0.003","20.667","0.002","90","","99.735","0.018","90","","1922.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-ethyl-2,3-dihydro-4H-pyrido[3,2-e]-1,2,4-thiadiazine 1,1-dioxide","","- C8 H11 N3 O2 S -","- C8 H11 N3 O2 S -","- C64 H88 N24 O16 S8 -","8","2","GS1021","Dupont, Léon; Pirotte, Bernard; Podona, Tchao; Diouf, Ousmane; Delarge, Jacques; De Tullio, Pascal","4-Ethyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide and 4-ethyl-2,3-dihydro-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide","Acta Crystallographica Section C","1999","55","3","461","464","10.1107/S0108270198013894","","","1.5418","CuKα","","0.0852","0.0453","","","","0.1317","","","","","","0.943","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008262","8.1628","0.0004","11.6259","0.0008","10.2405","0.0011","90","","97.841","0.007","90","","962.74","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-ethyl-2,3-dihydro-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide","","- C8 H11 N3 O2 S -","- C8 H11 N3 O2 S -","- C32 H44 N12 O8 S4 -","4","1","GS1021","Dupont, Léon; Pirotte, Bernard; Podona, Tchao; Diouf, Ousmane; Delarge, Jacques; De Tullio, Pascal","4-Ethyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide and 4-ethyl-2,3-dihydro-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide","Acta Crystallographica Section C","1999","55","3","461","464","10.1107/S0108270198013894","","","1.5418","CuKα","","0.0463","0.0382","","","","0.1064","","","","","","1.06","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008263","10.313","0.004","11.871","0.002","12.713","0.002","90","","90","","90","","1556.4","0.7","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2(S)-7-methoxy-2-(3-(R)-4,5-dihydro-4,4-dimethyl-3H-2-oxo-3-oxicarbonyl)- 2,3-dihydro-1,4-benzodioxin","","- C16 H18 O7 -","- C16 H18 O7 -","- C64 H72 O28 -","4","1","GS1024","Mostafa Khouili; M. Dolors Pujol; Xavier Solans; Mercè Font-Bardia; Abdelaman Souizi; Gerard Coudert; Gerald Guillaumet","(3<i>R</i>)-4,4-Dimethyl-2-oxotetrahydrofuran-3-yl (<i>2S</i>)-7-methoxy-2,3-dihydro-1,4-benzodioxin-2-carboxylate","Acta Crystallographica Section C","1999","55","3","387","389","10.1107/S0108270198013900","","","0.71069","MoKα","","0.0631","0.0536","","","","0.152","","","","","","1.049","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008264","14.618","0.003","9.323","0.002","25.766","0.005","90","","99.31","0.03","90","","3465.2","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Acetato-O,O')-(acetato-O)-(2,9-dimethyl-1,10-phenanthroline) zinc(ii)","","- C18 H18 N2 O4 Zn -","- C18 H18 N2 O4 Zn -","- C144 H144 N16 O32 Zn8 -","8","1","HA1237","Harvey, Miguel; Baggio, Sergio; Baggio, Ricardo; Mombrú, Alvaro W.","(Acetato-<i>O</i>,<i>O</i>')(acetato-<i>O</i>)(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')zinc(II)","Acta Crystallographica Section C","1999","55","3","308","310","10.1107/S0108270198013481","","","0.71073","MoKα","","0.083","0.037","","","","0.121","","","","","","1.015","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008265","9.034","0.002","10.155","0.001","12.368","0.002","110.35","0.01","89.9","0.02","103.02","0.01","1032.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","6-[N-(2-Hydroxyphenyl)aminomethylene]cyclohexa-2,4-dien-1-one","6-[N-(2-Hydroxyphenyl)aminomethylene]cyclohexa-2,4-dien-1-one","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","2","HA1241","Alok K. Mukherjee; Rajib Lal De; Indrajit Banerjee; Chitra Samanta; Nirmalya P. Nayak","6-[<i>N</i>-(2-Hydroxyphenyl)aminomethylene]cyclohexa-2,4-dien-1-one","Acta Crystallographica Section C","1999","55","3","407","410","10.1107/S0108270198013912","","","1.5418","CuKα","","0.0574","0.0499","","0.1316","0.1248","","","","1.053","1.087","1.087","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008266","4.5686","0.0001","15.7687","0.0002","20.1621","0.0004","90","","90","","90","","1452.5","0.05","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-Aminopyrimidine and p-phenylenediacetic acid","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C56 H60 N12 O16 -","4","0.5","HA1242","Kandasamy Chinnakali; Hoong-Kun Fun; Shyamaprasad Goswami; Ajit Kumar Mahapatra; Gur Dayal Nigam","2-Aminopyrimidine and <i>p</i>-phenylenediacetic acid (1:1) co-crystal","Acta Crystallographica Section C","1999","55","3","399","401","10.1107/S0108270198013626","","","0.71073","MoKα","","0.116","0.059","","","","0.161","","","","","","1.084","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008267","12.225","0.002","13.29","0.003","12.387","0.003","90","","90","","90","","2012.5","0.7","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Trimethylphosphonium trichlorogermanate(II)","Trimethylphosphonium trichlorogermanate(II)","","- C3 H10 Cl3 Ge P -","- C3 H10 Cl3 Ge P -","- C24 H80 Cl24 Ge8 P8 -","8","1","JZ1290","Gabriele Kociok-Köhn; Johannes G. Winter; Alexander C. Filippou","Trimethylphosphonium trichlorogermanate(II)","Acta Crystallographica Section C","1999","55","3","351","353","10.1107/S010827019801169X","","","0.71073","MoKα","","0.0365","0.0307","","","","0.0845","","","","","","1.044","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008268","9.674","0.002","8.482","0.002","17.446","0.004","90","","104.81","0.02","90","","1384","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3,7-diethyl-3,7-diazanonane-1,9-dithiolato-S,N,N'S')nickel(II)","","- C11 H24 N2 Ni S2 -","- C11 H24 N2 Ni S2 -","- C44 H96 N8 Ni4 S8 -","4","1","JZ1315","Jörg Schneider; Ralf Hauptmann; Frank Osterloh; Gerald Henkel","(3,7-Diethyl-3,7-diazanonane-1,9-dithiolato-<i>S</i>,<i>N</i>,<i>N</i>',<i>S</i>')nickel(II)","Acta Crystallographica Section C","1999","55","3","328","330","10.1107/S0108270198012578","","","0.71073","MoKα","","","0.024","","","","0.058","","","","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008269","9.304","0.002","10.9792","0.0013","13.685","0.003","107.896","0.01","107.812","0.014","96.383","0.011","1233.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(triphenylphosphine)-1κP,2κP-dicopper(I) Di(triphenylphosphine) Diquinoline Bis(μ-Iodine) Dicopper","","- C54 H44 Cu2 I2 N2 P2 -","- C54 H44 Cu2 I2 N2 P2 -","- C54 H44 Cu2 I2 N2 P2 -","1","0.5","JZ1317","Jin, Qiong-Hua; Wang, Yu-Xian; Xin, Xiu-Lan","Di-μ-iodo-1:2κ^4^<i>I</i>-bis(quinoline)-1κ<i>N</i>,2κ<i>N</i>-bis(triphenylphosphine)-1κ<i>P</i>,2κ<i>P</i>-dicopper(I)","Acta Crystallographica Section C","1999","55","3","341","343","10.1107/S010827019801333X","","","0.71073","MoKα","","","0.029","","","","0.065","","","","","","1.023","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008270","8.8005","0.0003","11.1","0.0005","11.628","0.0005","89.746","0.002","69.678","0.003","75.414","0.003","1026.53","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 Gd N6 O12 -","- C15 H17 Gd N6 O12 -","- C30 H34 Gd2 N12 O24 -","2","1","JZ1321","Leverd, Pascal C.; Charbonnel, Marie-Christine; Dognon, Jean-Pierre; Lance, Monique; Nierlich, Martine","Triaquabis(nitrato-<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>)gadolinium(III) nitrate","Acta Crystallographica Section C","1999","55","3","368","370","10.1107/S0108270198013316","","","0.71073","MoKα","","0.033","0.027","","0.07","0.062","","","","0.963","0.972","0.972","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008271","13.59","0.002","6.581","0.0011","9.9321","0.0014","90","","90","","90","","888.3","0.2","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Guanine dihydrochloride","","- C5 H7 Cl2 N5 O -","- C5 H7 Cl2 N5 O -","- C20 H28 Cl8 N20 O4 -","4","0.5","JZ1324","Matković-Čalogović, Dubravka; Sanković, Krešimir","Guaninium dichloride","Acta Crystallographica Section C","1999","55","3","467","469","10.1107/S0108270198014607","","","0.71073","MoKα","","0.098","0.039","","","","0.108","","","","","","1.016","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008272","11.687","0.002","7.576","0.001","24.153","0.003","90","","95.91","0.01","90","","2127.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[1-(4-methylphenylazo)-2-oxo-2-phenylethyl)-(4-acetanilide) sulfone","","- C23 H21 N3 O4 S -","- C23 H21 N3 O4 S -","- C92 H84 N12 O16 S4 -","4","1","KA1293","Wojciech M. Wolf","X-ray investigations of sulfur-containing fungicides. I. 4'-{[Benzoyl(4-tolylhydrazono)methyl]sulfonyl}acetanilide","Acta Crystallographica Section C","1999","55","3","469","472","10.1107/S0108270198013559","","","0.71073","MoKα","","0.0598","0.0417","","","","0.1711","","","","","","1.02","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008273","9.7172","0.0006","10.2638","0.0005","10.5991","0.0004","89.996","0.004","102.938","0.004","110.121","0.004","963.96","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","calcium hydronium decavanadate hexadecahydrate","","- Ca2 H38 O46 V10 -","- Ca2 H38 O46 V10 -","- Ca2 H38 O46 V10 -","1","0.5","KA1295","Strukan, Neven; Cindrić, Marina; Kamenar, Boris","Ca~2~(H~3~ O)~2~[V~10~O~28~]^.^16H~2~O","Acta Crystallographica Section C","1999","55","3","291","293","10.1107/S0108270198013468","","","0.7107","MoKα","","0.048","0.03","","","","0.081","","","","","","1.006","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008274","8.001","0.001","15.639","0.001","16.405","0.001","90","","94.15","0.01","90","","2047.3","0.3","298","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C88 H104 N8 O12 -","4","1","KA1300","Hökelek, Tuncer; Kılıç, Zeynel; Bi̇lge, Selen","5,6,7,8,9,10,11,12,18,19,21,22-Dodecahydro-8,9:18,19-dibenzo-1,4,7-trioxa-11,16-diazacyclononadeca-10,16-diene","Acta Crystallographica Section C","1999","55","3","381","383","10.1107/S0108270198013687","","","0.71073","MoKα","","","0.064","","","0.06","","","","","1.06","1.06","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008275","7.894","0.001","13.892","0.001","9.556","0.001","90","","103.28","0.02","90","","1019.9","0.2","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 N3 O2 -","- C12 H7 N3 O2 -","- C48 H28 N12 O8 -","4","1","KA1302","Hökelek, Tuncer; Kılıç, Emine; Aktan, Selami","1-Nitrobenzo[<i>c</i>]cinnoline","Acta Crystallographica Section C","1999","55","3","383","385","10.1107/S0108270198013560","","","0.71073","MoKα","","","0.048","","","0.06","","","","","1.68","1.68","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008276","6.1818","0.001","13.008","0.003","13.605","0.009","105","0.03","92.46","0.03","101.74","0.02","1029.3","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H2 F28 N4 -","- C44 H2 F28 N4 -","- C44 H2 F28 N4 -","1","0.5","LN1059","Leroy, Jacques; Bondon, Arnaud; Toupet, Loic","2,3,7,8,12,13,17,18-Octafluoro-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin","Acta Crystallographica Section C","1999","55","3","464","466","10.1107/S0108270198014000","","","0.71073","MoKα","","0.083","0.0421","","","","0.1267","","","","","","1.024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"2008277","9.3138","0.0008","10.1641","0.0008","18.0633","0.0015","90","","90","","90","","1710","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cr O3 -","- C18 H22 Cr O3 -","- C72 H88 Cr4 O12 -","4","1","","Bahija Abouhamza; Larbi El Firdoussi; Smaïl Allaoud; Abdellah Karim; Alejandro F. Barrero; Miguel Quirós","(η^6^-Arylhimachalene)tricarbonylchromium(0)","Acta Crystallographica Section C","1999","55","","361","363","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2008278","17.46","0.004","14.33","0.003","10.25","0.002","90","","96.73","0.03","90","","2546.9","0.9","223","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Hexacesium-hexatellurodistannate(III)","Hexacesium-hexatellurodistannate(III)","","- Cs6 Sn2 Te6 -","- Cs6 Sn2 Te6 -","- Cs24 Sn8 Te24 -","4","0.5","LN1072","Friede, Bernd; Jansen, Martin","Cs~6~Sn~2~Te~6~, a new telluridodistannate(III)","Acta Crystallographica Section C","1999","55","3","282","284","10.1107/S0108270198014681","","","0.71073","MoKα","","0.0345","0.0265","","","","0.0613","","","","","","1.199","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008279","6.039","0.002","9.587","0.003","12.598","0.006","80.32","0.03","77.51","0.02","89.48","0.03","701.7","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","4-cyclohexyl-5-cyclohexylamine-tetrazole","","- C13 H23 N5 -","- C13 H23 N5 -","- C26 H46 N10 -","2","1","NA1380","Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Hoong-Kun Fun","1-Cyclohexyl-5-cyclohexylaminotetrazole","Acta Crystallographica Section C","1999","55","3","393","395","10.1107/S0108270198012888","","","0.71073","MoKα","","0.0693","0.0547","","0.1557","0.1447","","","","1.021","1.104","1.104","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008280","10.19","0.009","19.104","0.009","12.808","0.009","90","","110.67","0.06","90","","2333","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 S Sn -","- C27 H24 S Sn -","- C108 H96 S4 Sn4 -","4","1","NA1382","Bruhn, Clemens; Steinborn, Dirk; Lébl, Tomáš; Holeček, Jaroslav","(<i>Z</i>)- and (<i>E</i>)-1-methylthio-1-triphenylstannyl-2-phenylethene","Acta Crystallographica Section C","1999","55","3","363","365","10.1107/S0108270198015200","","","0.71073","MoKα","","0.048","0.044","","0.098","0.094","","","","1.16","1.167","1.167","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008281","9.5512","0.0008","11.0433","0.0008","12.3793","0.001","83.38","0.008","81.737","0.008","67.018","0.007","1187.1","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 S Sn -","- C27 H24 S Sn -","- C54 H48 S2 Sn2 -","2","1","NA1382","Bruhn, Clemens; Steinborn, Dirk; Lébl, Tomáš; Holeček, Jaroslav","(<i>Z</i>)- and (<i>E</i>)-1-methylthio-1-triphenylstannyl-2-phenylethene","Acta Crystallographica Section C","1999","55","3","363","365","10.1107/S0108270198015200","","","0.71073","MoKα","","0.077","0.051","","0.189","0.132","","","","1.239","1.008","1.008","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008282","8.3987","0.0015","6.89","0.004","17.8585","0.0015","90","","90.868","0.011","90","","1033.3","0.6","296.2","","296.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N2 O4 -","- C28 H16 N2 O4 -","- C56 H32 N4 O8 -","2","0.5","OA1075","Okuyama, Kenji; Rozhanskii, Igor; Goto, Kohei","Bilayered structure of <i>N</i>,<i>N</i>'-diphenyl-4,4'-biphthalimide","Acta Crystallographica Section C","1999","55","3","424","425","10.1107/S0108270198013080","","","0.7107","MoKα","","","0.0487","","","0.0668","","","","","1.145","1.145","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008283","5.4508","0.0012","10.2229","0.0012","8.883","0.0017","90","","91.5","0.02","90","","494.82","0.16","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","indium phosphate dihydrate","Indium phosphate dihydrate","","- H4 In O6 P -","- H4 In O6 P -","- H16 In4 O24 P4 -","4","1","OH1113","Sugiyama, Kazumasa; Yu, Jihong; Hiraga, Kenji; Terasaki, Osamu","Monoclinic InPO~4~^.^2H~2~O","Acta Crystallographica Section C","1999","55","3","279","281","10.1107/S010827019801292X","","","0.71069","MoKα","","0.04","0.028","","","","0.068","","","","","","1.071","","","","has coordinates","282548","2023-04-10","20:38:56",""
"2008284","7.118","0.001","20.894","0.001","7.768","0.002","90","","92.2","0.03","90","","1154.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N3 -","- C13 H15 N3 -","- C52 H60 N12 -","4","1","OS1029","S. Selladurai; R. Chandrasekaran; L. Govindasamy; P. Murugan; V. T. Ramakrishnan","2-[3-(Pyrrolidin-1-yl)cyclohex-2-en-1-ylidene]propanedinitrile","Acta Crystallographica Section C","1999","55","3","401","403","10.1107/S0108270198009627","","","1.5418","CuKα","","0.0629","0.059","","0.1881","0.172","","","","0.994","1.013","1.013","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008285","5.776","0.008","12.599","0.005","15.288","0.005","90","","90","","90","","1112.5","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","QA0083","Kumar, G. Biju; Shah, Amrish C.; Cardin, Christine J.; Trenkle, Markus","A substituted isoindolin-1-one derived from (<i>R</i>)-(–)-2-amino-1-butanol","Acta Crystallographica Section C","1999","55","3","IUC9900019","","10.1107/S0108270199099758","","","0.71073","MoKα","","0.056","0.04","","0.135","0.092","","","","1","1.018","1.018","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008286","17.836","0.004","9.805","0.002","5.813","0.001","90","","90","","90","","1016.6","0.4","103","2","103","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","2,2,5,5-tetramethyl-hex-3-yne","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","0.5","QA0089","Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","2,2,5,5-Tetramethylhex-3-yne at 281K","Acta Crystallographica Section C","1999","55","3","IUC9900016","","10.1107/S0108270199099746","","","0.71073","MoKα","","0.063","0.05","","","","0.145","","","","","","1.046","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008287","7.5623","0.0002","19.8757","0.0006","21.2828","0.0006","90","","90","","90","","3198.93","0.16","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ethyl-1-(2-chlorophenyl)-4,6-dimethyl-1,2,3,4-tetrahydropyrimidine-2-thione- 5-carboxylate","","- C15 H17 Cl N2 O2 S -","- C15 H17 Cl N2 O2 S -","- C120 H136 Cl8 N16 O16 S8 -","8","1","QA0090","Kandasamy Chinnakali; Hoong-Kun Fun; Annamalai Senthilvelan; Kamaraj Sriraghavan; Vayalakkavoor T. Ramakrishnan","Ethyl 1-(2-chlorophenyl)-4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section C","1999","55","3","IUC9900017","","10.1107/S0108270199099734","","","0.71073","MoKα","","0.071","0.06","","","","0.15","","","","","","1.211","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008288","11.078","0.001","11.078","0.001","16.231","0.001","90","","90","","90","","1991.9","0.3","173","2","173","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C8 H24 Ca Cu O14 -","- C8 H24 Ca Cu O14 -","- C32 H96 Ca4 Cu4 O56 -","4","0.25","QA0093","El-Bali, Brahim; Bolte, Michael","Redetermination of [CaCu(C~2~H~3~O~2~)~4~(H~2~ O)~2~]^.^6H~2~O at 173 K","Acta Crystallographica Section C","1999","55","3","IUC9900015","","10.1107/S0108270199099771","","","0.71073","MoKα","","0.025","0.02","","","","0.056","","","","","","1.073","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008289","9.789","0.007","12.754","0.003","24.586","0.009","90","","90","","90","","3070","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","C14-oxygenated taxoid","Taxa-4(20),11-diene-2α,5α,10β,14β-tetrayl 2α,5α,10β-triacetate 14β-(2-methylbutyrate)","","- C31 H46 O8 -","- C31 H46 O8 -","- C124 H184 O32 -","4","1","QA0094","Chattopadhyay, Sunil K.; Sarkhel, Sanjay; Kulshrestha, Manish; Maulik, Prakas R.","A C-14 oxygenated taxoid from the heartwood of <i>Taxus wallichiana</i>","Acta Crystallographica Section C","1999","55","3","IUC9900014","","10.1107/S0108270199099722","","","0.71073","MoKα","","0.1324","0.0665","","0.2701","0.1886","","","","0.731","0.805","0.805","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008290","19.263","0.002","11.285","0.002","30.361","0.005","90","","104.96","0.01","90","","6376.3","1.7","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-oxobis[(trimethylphosphine-P)(trimethylphosphine oxide-O)dichloro- oxomolybdenum(V)] diethylether semisolvate","","- C14 H41 Cl4 Mo2 O5.5 P4 -","- C14 H41 Cl4 Mo2 O5.5 P4 -","- C112 H328 Cl32 Mo16 O44 P32 -","8","2","QB0081","Cotton, F. Albert; Daniels, Lee M.; Herrero, Santiago","μ-Oxo-bis[dichlorooxo(trimethylphosphine-<i>P</i>)(trimethylphosphine oxide-<i>O</i>)molybdenum(V)] diethyl ether hemisolvate","Acta Crystallographica Section C","1999","55","3","IUC9900018","","10.1107/S010827019909976X","","","0.71073","MoKα","","0.093","0.062","","0.147","0.117","","","","1.203","1.137","1.137","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008291","9.83","0.003","23.121","0.002","15.701","0.001","90","","105.95","0.01","90","","3431.1","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chloro{rac,trans-[1-(chloro{piperidin-1-yl})phosphino-2-bis(piperidin-1-yl)- phosphino]cyclopentane}neopentylplatinum(II) Acetone Solvate","","- C28 H55 Cl2 N3 O P2 Pt -","- C28 H55 Cl2 N3 O P2 Pt -","- C112 H220 Cl8 N12 O4 P8 Pt4 -","4","1","SK1171","Dahlenburg, Lutz; Mertel, Stefan","Chiral bisphosphanes. V. Chloro{<i>rac</i>,<i>trans</i>-1-[chloro(piperidin-1-yl)phosphino]-2-[bis(piperidin-1-yl)phosphino]cyclopentane-<i>P</i>,<i>P</i>'}neopentylplatinum(II) acetone solvate","Acta Crystallographica Section C","1999","55","3","347","349","10.1107/S010827019801498X","","","0.7107","MoKα","","","0.061","","0.103","","0.1","","","1.041","","","1.015","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008292","14.91","0.002","10.299","0.001","15.184","0.001","90","0.01","92.93","0.01","90","0.01","2328.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5-ethoxycarbonylmethyl-1-ethyl-2,3,4,6,7,12-hexahydroindolo[2,3-a] quinolizin-5-ium trifluoromethanesulfonate","","- C22 H27 F3 N2 O5 S -","- C22 H27 F3 N2 O5 S -","- C88 H108 F12 N8 O20 S4 -","4","1","SK1208","Bombicz, Petra; Kálmán, Alajos","Crystallographic evidence of the formation of an <i>N</i>-alkylated enammonium salt: 5-ethoxycarbonylmethyl-1-ethyl-2,3,6,7-tetrahydro-4<i>H</i>,12<i>H</i>-indolo[2,3-<i>a</i>]quinolizin-5-ium trifluoromethanesulfonate","Acta Crystallographica Section C","1999","55","3","454","455","10.1107/S0108270198013936","","","1.54178","CuKα","","0.0635","0.0505","","0.1609","","0.1543","","","1.083","","","1.116","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2008293","7.862","0.0008","19.526","0.002","10.469","0.001","90","0.009","105.15","0.01","90","0.009","1551.3","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N N'-bis(2-methoxyethyl)pyromellitimide","2,6-bis(3oxabutyl)pyrrolo[3,4f]isoindole-1,3,5,7 tetraone","","- C16 H16 N2 O6 -","- C16 H16 N2 O6 -","- C64 H64 N8 O24 -","4","1","SK1219","Bernadette Suchod; Jean-Pierre Curtet; David Djurado; Michel Armand","<i>N,N</i>'-Bis(2-methoxyethyl)pyromellitimide","Acta Crystallographica Section C","1999","55","3","445","446","10.1107/S0108270198013997","","","0.71073","MoKα","","0.072","0.044","","0.04","0.036","","","","1.345","","","1.526","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008294","14.465","0.001","8.3997","0.0004","9.4614","0.0004","90","","97.74","0.01","90","","1139.1","0.11","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","dicesium trimolybdate","","- Cs2 Mo3 O10 -","- Cs2 Mo3 O10 -","- Cs8 Mo12 O40 -","4","0.5","SK1225","Enjalbert, Renée; Guinneton, Frédéric; Galy, Jean","Cs~2~Mo~3~O~10~","Acta Crystallographica Section C","1999","55","3","273","276","10.1107/S0108270198012979","","","0.71069","MoKα","","0.042","0.028","","0.079","0.075","","","","1.079","1.165","1.165","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008295","10.3121","0.0004","11.3409","0.0007","12.7787","0.0008","113.224","0.005","101.056","0.004","102.401","0.004","1276.1","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(diisopropylammonium) bis(oxalatotriphenylstannate)","","- C26 H31 N O4 Sn -","- C26 H31 N O4 Sn -","- C52 H62 N2 O8 Sn2 -","2","1","SK1232","Ng, Seik Weng; Hook, James M.","Diisopropylammonium oxalatotriphenylstannate","Acta Crystallographica Section C","1999","55","3","310","312","10.1107/S0108270198011858","","","0.71073","MoKα","","0.0377","0.0275","","","","0.0656","","","","","","0.999","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008296","9.6433","0.0006","21.545","0.002","25.366","0.002","101.73","0.006","93.312","0.005","96.534","0.006","5108.8","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Aquatriphenyl-μ-(N,N-3-oxapentamethylenethiocarbamoylthioacetato)tin- triphenyl(N,N-3-oxapentametheylenethiocarbamoylthioacetato)tin","","- C50 H52 N2 O7 S4 Sn2 -","- C50 H52 N2 O7 S4 Sn2 -","- C200 H208 N8 O28 S16 Sn8 -","4","2","SK1237","Ng, Seik Weng; Hook, James M.","Bis[(<i>N</i>,<i>N</i>-3-oxapentamethylenethiocarbamoylthioacetato)triphenyltin] hydrate and bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbamoylthioacetate)","Acta Crystallographica Section C","1999","55","3","312","316","10.1107/S0108270198013092","","","0.71073","MoKα","","0.084","0.048","","","","0.116","","","","","","0.994","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008297","20.771","0.001","9.1734","0.0006","22.756","0.002","90","","90","","90","","4335.9","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbomylthioacetate)","","- C19 H34 N2 O3 S2 -","- C19 H34 N2 O3 S2 -","- C152 H272 N16 O24 S16 -","8","1","SK1237","Ng, Seik Weng; Hook, James M.","Bis[(<i>N</i>,<i>N</i>-3-oxapentamethylenethiocarbamoylthioacetato)triphenyltin] hydrate and bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbamoylthioacetate)","Acta Crystallographica Section C","1999","55","3","312","316","10.1107/S0108270198013092","","","0.71073","MoKα","","0.107","0.052","","","","0.131","","","","","","1.012","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2008298","7.506","0.001","29.143","0.002","9.832","0.001","90","","99.04","0.01","90","","2124","0.4","130","","130","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C24 H16 N2 O8 -","- C24 H16 N2 O8 -","- C96 H64 N8 O32 -","4","1","SK1240","Meetsma, Auke; Keller, Erik; Feringa, Ben L.","(±)-6,6'-Dinitro-1,1'-binaphthyl 2,2'-diacetate","Acta Crystallographica Section C","1999","55","3","450","452","10.1107/S0108270198013109","","","0.71073","MoKα","","0.0371","0.0321","","","","0.0825","","","","","","1.041","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008299","10.8952","0.0017","9.9647","0.001","16.288","0.004","90","","93.982","0.012","90","","1764.1","0.5","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-Biphenol–4,4'-bipyridyl (1/1)","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","1","SK1245","Lavender, Emma S.; Ferguson, George; Glidewell, Christopher","Self-assembled triple helices in the hydrogen-bonded structure of 2,2'-biphenol–4,4'-bipyridyl (1/1)","Acta Crystallographica Section C","1999","55","3","430","432","10.1107/S0108270198012980","","","0.71073","MolybdenumKα","","0.1111","0.0377","","","","0.1039","","","","","","0.905","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008300","4.0188","0.0003","4.0188","0.0003","9.72","0.001","90","","90","","90","","156.99","0.02","293","2","293","2","","","","","","","","3","P 4/m m m","-P 4 2","123","Potassium tetracopper triselenide","","","- Cu4 K Se3 -","- Cu4 K Se3 -","- Cu4 K Se3 -","1","0.0625","SK1247","Stoll, Petra; Näther, Christian; Jeß, Inke; Bensch, Wolfgang","KCu~4~Se~3~","Acta Crystallographica Section C","1999","55","3","286","288","10.1107/S0108270198014358","","","0.71073","MoKα","","0.028","0.024","","0.062","0.06","","","","1.17","1.186","1.186","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008301","7.716","0.002","8.597","0.002","12.54","0.003","80.19","0.03","74.83","0.03","81.74","0.03","786.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 Ge I4 N8 -","- C32 H16 Ge I4 N8 -","- C32 H16 Ge I4 N8 -","1","0.5","SK1249","Jan Janczak; Mariola Razik; Ryszard Kubiak","Diiodo[phthalocyaninato(2‒)]germanium(IV) diiodine","Acta Crystallographica Section C","1999","55","3","359","361","10.1107/S0108270198015716","","","0.71073","MoKα","","0.091","0.037","","","","0.077","","","","","","0.925","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008302","7.941","0.003","17.481","0.002","14.511","0.003","90","","90","","90","","2014.4","0.9","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(3R,4S,4aR,10aS)-5,10-diacetyl-3,4,4a,5,6,7,10a,10-octahydro-8-methoxy-6-oxo -2H-pyrano[3,2g]pteridin]-3,4-diyl diacetate","","- C18 H22 N4 O9 -","- C18 H22 N4 O9 -","- C72 H88 N16 O36 -","4","1","SK1253","Low, John N.; M. Dolores López; M. Luisa Quijano; Sánchez, Adolfo; Nogueras, Manuel","(3<i>R</i>,4<i>S</i>,4a<i>R</i>,10a<i>S</i>)-5,10-Diacetyl-3,4,4a,5,6,7,10,10a-octahydro-8-methoxy-6-oxo-2<i>H</i>-pyrano[3,2-<i>g</i>]pteridin-3,4-diyl diacetate","Acta Crystallographica Section C","1999","55","3","452","454","10.1107/S0108270198014371","","","0.71073","MoKα","","0.054","0.039","","","","0.084","","","","","","0.837","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008303","36.925","0.004","36.925","0.004","8.256","0.002","90","","90","","120","","9749","3","273","2","273","2","","","","","","","","6","R -3 :H","-R 3","148","","hexanoyloxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate","","- C19 H23 Cl N2 O7 S -","- C19 H23 Cl N2 O7 S -","- C342 H414 Cl18 N36 O126 S18 -","18","1","SX1070","Alvaro W. Mombrú; Raúl A. Mariezcurrena; Leopoldo Suescun; Helena Pardo; Eduardo Manta; Carolina Prandi","Two absorption furosemide prodrugs","Acta Crystallographica Section C","1999","55","3","413","416","10.1107/S010827019801213X","","","0.71069","MoKα","","0.1034","0.0561","","","","0.1994","","","","","","1.039","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008304","7.836","0.002","17.605","0.01","15.4951","0.0018","90","","94.026","0.016","90","","2132.3","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","benzoyloxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate","","- C20 H17 Cl N2 O7 S -","- C20 H17 Cl N2 O7 S -","- C80 H68 Cl4 N8 O28 S4 -","4","1","SX1070","Alvaro W. Mombrú; Raúl A. Mariezcurrena; Leopoldo Suescun; Helena Pardo; Eduardo Manta; Carolina Prandi","Two absorption furosemide prodrugs","Acta Crystallographica Section C","1999","55","3","413","416","10.1107/S010827019801213X","","","0.7107","MoKα","","0.0931","0.0633","","","","0.2155","","","","","","1.041","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008305","16.517","0.003","23.533","0.005","5.1124","0.0006","90","","90","","90","","1987.2","0.6","293","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","d[gamma]afg","Retro-enantiomeric [gammaCONH]-achatin-I, H-D-Asp-[γCONH]-D-Ala-L-Phe-Gly-OH","","- C18 H24 N4 O7 -","- C18 H24 N4 O7 -","- C72 H96 N16 O28 -","4","1","SX1074","Doi, Mitsunobu; Asano, Akiko; Ishida, Toshimasa; Minakata, Hiroyuki; Nomoto, Kyosuke","A β-turn retro-enantiomeric analogue of achatin-I, H‒<small>D</small>-Asp-[γCONH]-<small>D</small>-Ala‒<small>L</small>-Phe‒Gly‒OH","Acta Crystallographica Section C","1999","55","3","422","424","10.1107/S0108270198012141","","","1.5418","CuKα","","0.061","0.045","","","","0.143","","","","","","1.134","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008306","9.8951","0.0004","16.243","0.0007","25.0787","0.001","90","","90.444","0.001","90","","4030.7","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis(μ-benzenethiolato-S:S)hexacarbonyl-μ-iodo-dimolybdenum(I)(Mo—Mo)","","- C34 H46 I Mo2 N O6 S2 -","- C34 H46 I Mo2 N O6 S2 -","- C136 H184 I4 Mo8 N4 O24 S8 -","4","1","TA1215","Pan, Guohua; Zhuang, Botao; Chen, Jiutong","A mixed tribridging dimolybdenum(I) compound, bis(μ-benzenethiolato-<i>S</i>:<i>S</i>)hexacarbonyl-μ-iodo-dimolybdenum(I)(<i>Mo</i>—<i>Mo</i>)","Acta Crystallographica Section C","1999","55","3","297","298","10.1107/S0108270198012025","","","0.71073","MoKα","","0.09","0.051","","0.089","0.078","","","","1.054","1.124","1.124","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008307","14.4791","0.0002","12.9825","0.0002","24.4658","0.0003","90","","104.79","0.001","90","","4446.58","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetrabutylammonium bis(μ-benzenethiolato-S:S)hexacarbonyl-μ-pivalate-O:O'-dimolybdenum(Mo—Mo)","","- C39 H55 Mo2 N O8 S2 -","- C39 H55 Mo2 N O8 S2 -","- C156 H220 Mo8 N4 O32 S8 -","4","1","TA1216","Pan, Guohua; Zhuang, Botao; Chen, Jiutong","A dimolybdenum(I) carbonyl compound with thiolate and carboxylate bridges: tetrabutylammonium bis(μ-benzenethiolato-<i>S</i>:<i>S</i>)hexacarbonyl-μ-pivalate-<i>O</i>:<i>O</i>'-dimolybdenum(<i>Mo</i>—<i>Mo</i>)","Acta Crystallographica Section C","1999","55","3","298","300","10.1107/S0108270198012037","","","0.71073","MoKα","","0.082","0.052","","0.135","0.117","","","","1.011","1.044","1.044","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008308","12.355","0.003","11.645","0.003","12.75","0.003","90","","117.407","0.016","90","","1628.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N~1~,N~4~-Diformyl-t-5-methyl-r-2,t-3-diphenylpiperazine","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","VJ1091","Laavanya. P; Panchanatheswaran. K; Murugadoss. R; Jeyaraman. R","1,4-Diformyl-<i>t</i>-5-methyl-<i>r</i>-2,<i>t</i>-3-diphenylpiperazine-1,4-dicarbaldehyde","Acta Crystallographica Section C","1999","55","3","410","411","10.1107/S0108270198011779","","","1.5418","CuKα","","0.0748","0.0627","","","","0.2266","","","","","","1.09","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008309","6.698","0.001","7.171","0.001","30.604","0.005","90","","90","","90","","1470","0.4","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O4 S -","- C16 H15 N O4 S -","- C64 H60 N4 O16 S4 -","4","1","BK1392","Kumaradhas, P.; Kalyanam, N.; Ravikumar, K.; Chandra Mohan, K.; Sridhar, M.A.; Shashidhara Prasad, J.; Nirmala, K.A.","(+)-<i>cis</i>-3-Hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-oxide","Acta Crystallographica Section C","1999","55","4","614","615","10.1107/S0108270198012827","","","0.71073","MoKα","","","0.0438","","","0.0897","","","","","1.12","1.12","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008310","13.657","0.001","14.464","0.001","11.014","0.001","90","","112.104","0.003","90","","2015.7","0.3","293","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-N,N-dimethylamino-6-hydroxy-1,4-naphthoquinone","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C96 H88 N8 O24 -","8","2","BK1411","Doriguetto, Antônio C.; Santos, Cátia A.; Raslan, Délio S.; Fernandes, Nelson G.","2-(<i>N</i>,<i>N</i>-Dimethylamino)-6-hydroxy-1,4-naphthoquinone","Acta Crystallographica Section C","1999","55","4","639","642","10.1107/S0108270198013213","","","0.71073","MoKα","","0.0949","0.054","","0.1534","","0.0958","","","0.919","1.016","1.016","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008311","22.997","0.005","8.069","0.002","20.001","0.004","90","","125","0.03","90","","3040.2","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-chloro-2,4-dimorpholino-5-nitrobenzene","","- C14 H18 Cl N3 O4 -","- C14 H18 Cl N3 O4 -","- C112 H144 Cl8 N24 O32 -","8","1","BK1415","Zucco, César; Neves, Ademir; Vencato, Ivo; Szpoganicz, Bruno; Bertoldi, Fabiano C.","1-Chloro-2,4-dimorpholino-5-nitrobenzene","Acta Crystallographica Section C","1999","55","4","654","656","10.1107/S0108270198014516","","","0.71073","MoKα","","0.066","0.042","","","","0.124","","","","","","1.105","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008312","10.009","0.0013","15.472","0.002","16.216","0.002","90","","90","","90","","2511.2","0.6","160","3","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(Diethylaminomethyl)phenol Nitrate","diethyl(2-hydroxybenzyl)ammonium nitrate","","- C11 H18 N2 O4 -","- C11 H18 N2 O4 -","- C88 H144 N16 O32 -","8","1","BK1426","Bouayad, Abdelouahed; Dartiguenave, Michèle; Lamandé, Lydia; El Ghadraoui, El Houssine; Beauchamp, André L.","Nitrate salt of protonated 2-(diethylaminomethyl)phenol","Acta Crystallographica Section C","1999","55","4","681","683","10.1107/S0108270198014218","","","0.71073","MoKα","","0.06","0.039","","0.087","","0.082","","","1.042","","","1.209","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008313","13.855","0.004","21.573","0.006","13.163","0.004","90","","90","","90","","3934","2","295","2","295","2","","","","","","","","6","C c c 2","C 2 -2c","37","","μ-Oxo-bis-[bis-(2,2'-bi(1H-imidazole-N^3^))-oxo-rhenium(V)]tetrachloride hexahydrate, [{ReO(C~6~H~4~N~2~)~2~}~2~O]Cl~4~^.^6H~2~O.","","- C24 H36 Cl4 N16 O9 Re2 -","- C24 H24 Cl4 N16 O9 Re2 -","- C96 H96 Cl16 N64 O36 Re8 -","4","0.5","BK1428","Bélanger, Suzanne; Beauchamp, André L.","μ-Oxo-bis{bis[2,2'-bi(1<i>H</i>-imidazole-<i>N</i>^3^)]oxorhenium(V)} tetrachloride hexahydrate","Acta Crystallographica Section C","1999","55","4","517","521","10.1107/S010827019801511X","","","1.54056","CuKα","","0.051","0.03","","0.086","0.075","","","","0.6","0.68","0.68","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008314","7.5766","0.0006","9.6207","0.0007","11.2537","0.0009","89.227","0.001","85.764","0.001","82.531","0.001","811.12","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","8-Hydroxy-1,2,3-trimethoxybenz[a]anthracene-7,12-dione","","- C21 H16 O6 -","- C21 H16 O6 -","- C42 H32 O12 -","2","1","BK1433","Ilia A. Guzei; Alex Melekhov; George A. Kraus","A new strained angularly fused ring system: 8-hydroxy-1,2,3-trimethoxybenz[<i>a</i>]anthracene-7,12-dione","Acta Crystallographica Section C","1999","55","4","620","622","10.1107/S0108270198012840","","","0.71073","MoKα","","0.063","0.053","","","","0.163","","","","","","1.05","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008315","8.8166","0.0006","9.9326","0.0006","9.9764","0.0006","76.875","0.002","76.582","0.001","74.331","0.001","805.52","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,10-Dimethoxy-1,4-methano-1,4,4a,11a-tetrahydrobenzo[b]fluoren-11-one-oxime","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C40 H38 N2 O6 -","2","1","BK1435","Kandasamy Chinnakali; Hoong-Kun Fun; Dipakranjan Mal; Nirmal Kumar Hazra; Sujit Kumar Ghorai; Gur Dayal Nigam","5,10-Dimethoxy-1,4-methano-1,4,4a,11a-tetrahydrobenzo[<i>b</i>]fluoren-11-one oxime","Acta Crystallographica Section C","1999","55","4","585","586","10.1107/S0108270198015017","","","0.71073","MoKα","","0.0862","0.0576","","","","0.1714","","","","","","1.017","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008316","5.8512","0.0002","13.041","0.0006","14.8412","0.0007","90","","90","","90","","1132.47","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-imino(dimethylamino)benzenesulfonic acid","","- C9 H14 N2 O4 S -","- C9 H14 N2 O4 S -","- C36 H56 N8 O16 S4 -","4","1","BK1436","Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur","A Schiff base formed from sulfanilic acid and dimethylformamide","Acta Crystallographica Section C","1999","55","4","697","698","10.1107/S0108270198016060","","","0.71073","MoKα","","0.0465","0.0343","","","","0.0818","","","","","","1.129","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008317","12.014","0.006","9.8","0.002","16.068","0.003","90","","93.8","0.03","90","","1887.6","1.1","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(2-deoxy-α-L-erythro-pentopyranosyl) 1-(S),2-(S), 4-triazolidine-3,5-dione","","- C24 H24 S -","- C24 H24 S -","- C96 H96 S4 -","4","1","BK1440","Meyers, Cal Y.; Hou, Yuqing; Robinson, Paul D.","<i>ap</i>-9-(<i>o-tert</i>-Butylphenyl)-9-methylthiofluorene, the first isolated <i>ap</i> rotamer of a 9-substituted 9-(<i>o-tert</i>-butylphenyl)fluorene","Acta Crystallographica Section C","1999","55","4","626","628","10.1107/S010827019801453X","","","0.71069","MoKα","","0.069","0.036","","","","0.102","","","","","","1","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008318","10.8956","0.0009","8.2532","0.0005","20.205","0.0012","90","","98.411","0.006","90","","1797.4","0.2","295","","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,2-bis(2-pyridinooxyethoxy)benzene","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","BK1447","Bryan, Jeffrey C.; Delmau, Laetitia H.; Sachleben, Richard A.; Moyer, Bruce A.","1,2-Bis[2-(pyridin-2-yloxy)ethoxy]benzene","Acta Crystallographica Section C","1999","55","4","618","620","10.1107/S0108270198016722","","","0.71073","MoKα","","0.074","0.036","","","","0.094","","","","","","1.01","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008319","10.203","0.002","13.047","0.004","15.99","0.005","68.54","0.03","85.85","0.02","76.48","0.02","1925.9","1","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","bis-triphenylphosphane silver 1-phenyltetrazolethiolate","","- C44 H39 Ag N4 O P2 S -","- C44 H39 Ag N4 O P2 S -","- C88 H78 Ag2 N8 O2 P4 S2 -","2","1","BM1275","Molloy, Kieran C.; Mahon, Mary F.; Barret, Marie C.","(1-Phenyl-1<i>H</i>-1,2,3,4-tetrazole-5-thiolato-<i>S</i>)bis(triphenylphosphine)silver(I) methanol solvate","Acta Crystallographica Section C","1999","55","4","555","557","10.1107/S0108270199000311","","","0.71069","MoKα","","0.049","0.029","","0.071","0.065","","","","1.015","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008320","10.0761","0.0012","10.6819","0.0013","10.9819","0.0012","63.847","0.002","72.015","0.003","79.359","0.002","1007.5","0.2","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 Cu3 N4 O10 -","- C42 H46 Cu3 N4 O10 -","- C42 H46 Cu3 N4 O10 -","1","0.5","BM1276","Atakol, Orhan; Arici, Cengiz; Ercan, Filiz; Ülkü, Dinçer","Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato]copper(II)}copper(II) dioxane solvate","Acta Crystallographica Section C","1999","55","4","511","513","10.1107/S0108270198014334","","","0.71073","MoKα","","","0.044","","","0.046","","","","","0.96","0.96","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008321","6.9693","0.0002","9.5268","0.0003","11.1032","0.0004","97.595","0.001","104.295","0.0005","95.327","0.002","702.04","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Phenyl 5-(2-chlorophenyl) 1,2,4-triazole-3-thione","","- C14 H10 Cl N3 S -","- C14 H10 Cl N3 S -","- C28 H20 Cl2 N6 S2 -","2","1","BM1285","Kumaran,D.; Ponnuswamy,M.N.; Jayanthi,G.; Ramakrishnan, V.T.; Chinnakali, K.; Fun, H.-K.","3-(2-Chlorophenyl)-4-phenyl-1,2,4-triazole-5-thione","Acta Crystallographica Section C","1999","55","4","581","582","10.1107/S0108270198013808","","","0.71073","MoKα","","0.0691","0.0478","","0.1288","0.1126","","","","1.043","1.054","1.054","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008322","8.778","0.002","8.781","0.001","10.998","0.002","85.52","0.01","85.42","0.02","78.57","0.01","826.6","0.3","203","2","203","2","","","","","","","","3","P -1","-P 1","2","4,4'‒Bipyridyl","4,4'‒Bipyridinyl","","- C20 H16 N4 -","- C10 H8 N2 -","- C40 H32 N8 -","4","2","BM1287","Boag, Neil M.; Coward, Kathleen M.; Jones, Anthony C; Pemble, Martyn E.; Thompson, J. Robin","4,4'-Bipyridyl at 203K","Acta Crystallographica Section C","1999","55","4","672","674","10.1107/S0108270198016333","","","0.71073","MoKα","","0.0921","0.0514","","0.1341","","0.1341","","","1.01","","","1.01","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008323","8.915","0.004","10.623","0.004","17.243","0.005","90","","90","","90","","1633","1.1","190","2","190","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Diosbulbin-B","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","BM1291","Singh, Amarjit; Parmar, Virinder S.; Errington, William; Howarth, Oliver W.; Lawrie, Stephen","Diosbulbin B, a constituent of <i>Dioscorea pentaphylla</i>","Acta Crystallographica Section C","1999","55","4","559","561","10.1107/S0108270198014978","","","0.71073","MoKα","","0.064","0.044","","","","0.097","","","","","","1.106","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008324","9.022","0.003","15.576","0.002","13.489","0.003","90","","103.52","0.02","90","","1843","0.8","173","1","173","1","","","","","","","","3","P 1 21 1","P 2yb","4","","ethyl-5,7,8-tri-O-acetyl-2-deoxy-α-D-erythro-L-arabino-oct-3-ulofuranosid- 1,4-lactone","","- C16 H22 O10 -","- C16 H22 O10 -","- C64 H88 O40 -","4","2","BM1305","Linden, Anthony; Lee, C. Kuan; Li, Xiaofeng","A fused furanoside-1,4-lactone at 173K","Acta Crystallographica Section C","1999","55","4","642","644","10.1107/S0108270198016692","","","0.71073","MoKα","","0.089","0.044","","","","0.114","","","","","","1.023","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008325","18.5888","0.0012","8.1378","0.001","28.964","0.002","90","","90","","90","","4381.4","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H34 N2 O11 S2 -","- C14 H34 N2 O11 S2 -","- C112 H272 N16 O88 S16 -","8","1","BM1316","Henschel, Dagmar; Wijaya, Karna; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CX. Hydroxylammonium di(methanesulfonyl)amidate 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1/1) and 2-aminopyridinium di(methanesulfonyl)amidate 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1/1)","Acta Crystallographica Section C","1999","55","4","664","668","10.1107/S0108270199001274","","","0.71073","MoKα","","0.058","0.033","","","","0.074","","","","","","0.883","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008326","11.67","0.003","15.623","0.005","14.528","0.004","90","","108.74","0.03","90","","2508.3","1.3","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Aminopyridinium Di(methanesulfonyl)amidate 1,4,7,1O,13,16-Hexaoxacyclooctadecane (1/1/1)","","- C19 H37 N3 O10 S2 -","- C19 H37 N3 O10 S2 -","- C76 H148 N12 O40 S8 -","4","1","BM1316","Henschel, Dagmar; Wijaya, Karna; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CX. Hydroxylammonium di(methanesulfonyl)amidate 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1/1) and 2-aminopyridinium di(methanesulfonyl)amidate 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1/1)","Acta Crystallographica Section C","1999","55","4","664","668","10.1107/S0108270199001274","","","0.71073","MoKα","","0.049","0.038","","","","0.094","","","","","","1.061","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008327","9.782","0.002","10.283","0.002","10.497","0.002","90","","90","","90","","1055.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 Mn N O7 -","- C6 H13 Mn N O7 -","- C24 H52 Mn4 N4 O28 -","4","1","BR1217","Liu, Ye-Qi; Wei, Yong-Ge; Liu, Qun; Zhang, Shi-Wei; Shao, Mei-Cheng","A one-dimensional coordination polymer of manganese(II) with <i>N</i>-(2-hydroxyethyl)iminodiacetate: {[Mn(Hheidi)(H~2~O)]^.^H~2~O}~<i>n~</i>","Acta Crystallographica Section C","1999","55","4","534","536","10.1107/S0108270198016084","","","0.71073","MoKα","","0.044","0.038","","0.106","0.094","","","","1.031","1.035","1.035","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008328","5.37","0.002","8.268","0.004","12.693","0.003","90","","90.37","0.02","90","","563.5","0.4","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Strontium iron II diphosphate","","","- Fe O7 P2 Sr -","- Fe O7 P2 Sr -","- Fe4 O28 P8 Sr4 -","4","1","BR1225","Le Meins, Jean-Marc; Courbion, Georges","SrFeP~2~O~7~, a new homologue in the <i>AM</i>P~2~O~7~ series","Acta Crystallographica Section C","1999","55","4","481","483","10.1107/S0108270198017375","","","0.71073","MoKα","","0.054","0.033","","0.09","0.084","","","","1.018","1.082","1.082","","","","","has coordinates","191888","2020-10-21","18:00:00",""
"2008329","10.2357","0.0014","10.2357","0.0014","3.5425","0.0007","90","","90","","90","","371.15","0.1","293","2","293","2","","","","","","","","2","I 4/m","-I 4","87","","","","- Sb4 Ta5 -","- Sb4 Ta5 -","- Sb8 Ta10 -","2","0.125","BR1226","Kang, Sung Kwon; Miller, Gordon J.","Ta~5~Sb~4~","Acta Crystallographica Section C","1999","55","4","483","485","10.1107/S0108270198015881","","","0.71073","MoKα","","0.071","0.029","","","","0.065","","","","","","1.062","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008330","8.9928","0.0001","11.2809","0.0002","5.48116","0.00009","90","","90","","90","","556.05","0.02","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","gadolinium gallium oxide","","","- Ga Gd3 O6 -","- Ga Gd3 O6 -","- Ga4 Gd12 O24 -","4","0.5","BR1230","Yamane, Hisanori; Sakamoto, Takashi; Kubota, Shun-ichi; Shimada, Masahiko","Gd~3~GaO~6~ by X-ray powder diffraction","Acta Crystallographica Section C","1999","55","4","479","481","10.1107/S0108270198016096","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008331","13.8627","0.0003","12.6533","0.0003","16.6278","0.0004","90","","111.697","0.001","90","","2710.02","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(C4 H12 N)4 Ge9 H12 O26 14(H2 O)","","- C16 H88 Ge9 N4 O40 -","- C16 H88 Ge9 N4 O40 -","- C32 H176 Ge18 N8 O80 -","2","0.5","BR1237","Tripathi, Akhilesh; Young Jr., Victor G.; Johnson, Geoffrey M.; Cahill, Christopher L.; Parise, John B.","[N(CH~3~)~4~]~4~H~12~Ge~9~O~26~^.^14H~2~O","Acta Crystallographica Section C","1999","55","4","496","499","10.1107/S0108270198014838","","","0.71073","MoKα","","0.0766","0.0483","","0.1096","","0.0998","","","","1.149","1.149","1.08","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2008332","20.5254","0.0013","15.1311","0.001","6.1276","0.0004","90","","90","","90","","1903.1","0.2","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Cyano-5-(4-methoxybenzyl)-6-(4-methoxyphenyl)-4-methylthio-2H-pyran-2-one","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C88 H76 N4 O16 S4 -","4","1","CF1285","Kumar, Rajesh; Parmar, Virinder S.; Errington, William","3-Cyano-5-(4-methoxybenzyl)-6-(4-methoxyphenyl)-4-methylthio-2<i>H</i>-pyran-2-one","Acta Crystallographica Section C","1999","55","4","561","563","10.1107/S0108270198015121","","","0.71073","MoKα","","0.067","0.047","","","","0.094","","","","","","1.049","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008333","10.48","0.002","11.949","0.002","15.005","0.003","90","","90","","90","","1879","0.6","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4–(N–Methylnitramino)-1–methylpyridinium bromide","","- C7 H10 Br N3 O2 -","- C7 H10 Br N3 O2 -","- C56 H80 Br8 N24 O16 -","8","1","CF1290","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz","1-Methyl-4-(<i>N</i>-methylnitramino)pyridinium bromide","Acta Crystallographica Section C","1999","55","4","691","693","10.1107/S0108270198014656","","","0.71073","MoKα","","0.0664","0.0293","","","","0.0823","","","","","","1","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008334","13.003","0.001","8.8836","0.0006","20.196","0.002","90","","95.065","0.008","90","","2323.8","0.3","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(N-phenyl benzoylhydroxamate-O,O')(acetylacetone benzoylhydrazonato-O,N,O')- oxo-vanadium(V)","","- C25 H22 N3 O5 V -","- C25 H22 N3 O5 V -","- C100 H88 N12 O20 V4 -","4","1","DA1036","Chen, Wei; Gao, Shan; Liu, Shi-Xiong","Monooxovanadium(V) complexes with bidentate <i>N</i>-phenylbenzohydroxamate","Acta Crystallographica Section C","1999","55","4","531","533","10.1107/S0108270198014875","","","0.71073","MoKα","","0.104","0.056","","0.124","0.109","","","","0.976","1.158","1.158","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008335","9.72","0.001","18.274","0.002","12.542","0.001","90","","104.868","0.009","90","","2153.2","0.4","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(N-phenyl benzoylhydroxamate-O,O')(N-salicylidene-L-alaninato-O,N,O')- oxo-vanadium(V)","","- C23 H19 N2 O6 V -","- C23 H19 N2 O6 V -","- C92 H76 N8 O24 V4 -","4","2","DA1036","Chen, Wei; Gao, Shan; Liu, Shi-Xiong","Monooxovanadium(V) complexes with bidentate <i>N</i>-phenylbenzohydroxamate","Acta Crystallographica Section C","1999","55","4","531","533","10.1107/S0108270198014875","","","0.71073","MoKα","","0.096","0.062","","0.145","0.129","","","","0.97","1.079","1.079","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008336","9.125","0.0007","12.769","0.001","16.428","0.002","90","","98.738","0.009","90","","1891.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Triphenylphosphoniopropionate dihydrate","","- C21 H23 O4 P -","- C21 H23 O4 P -","- C84 H92 O16 P4 -","4","1","DA1039","Ng, Seik Weng","3-Triphenylphosphoniopropionate dihydrate","Acta Crystallographica Section C","1999","55","4","646","648","10.1107/S0108270198014887","","","0.71073","MoKα","","0.1303","0.0729","","","","0.2145","","","","","","1.019","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008337","15.64","0.004","22.765","0.006","5.681","0.001","90","","92.663","0.005","90","","2020.5","0.8","295","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N,N-Bis(p-nitrophenylsulfonyl)cyclohexylamine","","- C18 H19 N3 O8 S2 -","- C18 H19 N3 O8 S2 -","- C72 H76 N12 O32 S8 -","4","1","DA1049","Brunzelle, Joseph S.; Curtis-Palmer, Veronica A.; Pavkovic, Stephen F.","<i>N</i>,<i>N</i>-Bis(<i>p</i>-nitrophenylsulfonyl)cyclohexylamine","Acta Crystallographica Section C","1999","55","4","624","626","10.1107/S0108270198017612","","","0.7107","MoKα","","0.0639","0.039","","0.1043","0.0969","","","","1.004","1.132","1.132","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008338","8.984","0.003","11.912","0.004","9.548","0.003","90","","108.34","0.03","90","","969.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-(Diaqua-O,O')(C-meso-1,5,8,12-tetramethyl-1,4,8,11- tetraazacyclotetradecane-N,N',N'',N''')Nickel(II) Chloride","","- C14 H36 Cl2 N4 Ni O2 -","- C14 H36 Cl2 N4 Ni O2 -","- C28 H72 Cl4 N8 Ni2 O4 -","2","0.5","DA1051","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Liao, Fen-Ling; Chung, Chung-Sun","<i>trans</i>-Diaqua(<i>C</i>-<i>meso</i>-1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)nickel(II) dichloride","Acta Crystallographica Section C","1999","55","4","543","545","10.1107/S0108270198017594","","","0.71073","MoKα","","0.0506","0.045","","","","0.1436","","","","","","1.132","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008339","11.503","0.004","4.975","0.002","13.304","0.003","90","","99.86","0.02","90","","750.1","0.4","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-propylimidazolidinetrion","","","- C6 H8 N2 O3 -","- C6 H8 N2 O3 -","- C24 H32 N8 O12 -","4","1","DA1052","Yoshihara, Ryouko; Hosomi, Hiroyuki; Aoyama, Hiromu; Ohba, Shigeru","<i>N</i>-Propylimidazolidinetrione and <i>N</i>-methyl-<i>N</i>'-phenylethylimidazolidinetrione","Acta Crystallographica Section C","1999","55","4","594","596","10.1107/S0108270198017600","","","0.71073","MoKα","","0.106","0.047","","","","0.087","","","","","","1.07","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008340","49.87","0.02","5.406","0.003","8.471","0.003","90","","88.66","0.03","90","","2283.1","1.8","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-phenylethyl-N-methylimidazolidinetrione","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C96 H96 N16 O24 -","8","1","DA1052","Yoshihara, Ryouko; Hosomi, Hiroyuki; Aoyama, Hiromu; Ohba, Shigeru","<i>N</i>-Propylimidazolidinetrione and <i>N</i>-methyl-<i>N</i>'-phenylethylimidazolidinetrione","Acta Crystallographica Section C","1999","55","4","594","596","10.1107/S0108270198017600","","","0.71073","MoKα","","0.174","0.052","","","","0.116","","","","","","1.1","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008341","26.9834","0.0006","16.8216","0.0004","28.1","0.0004","90","","90.164","0.001","90","","12754.6","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","dodecamolybodtetrakis(p‒cyanophenyl)arsonate tetrabutylammonium salt","","","- C92 H160 As4 Mo12 N8 O46 -","- C92 H160 As4 Mo12 N8 O46 -","- C368 H640 As16 Mo48 N32 O184 -","4","0.5","DA1056","Johnson, Bret J.S.; Buss, Carrie E.; Young Jr., Victor G.; Stein, Andreas","Tetrakis(tetrabutylammonium) tetrakis[(<i>p</i>-cyanophenyl)trioxoarsonato]tetratriacontaoxododecamolybdate(4 ‒)","Acta Crystallographica Section C","1999","55","4","549","551","10.1107/S0108270198017636","","","0.71073","MoKα","","0.0833","0.0463","","0.1156","0.1024","","","","0.992","1.076","1.076","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008342","18.178","0.003","9.233","0.004","30.904","0.007","90","","101.3","0.01","90","","5086","3","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","Chloro(diethyl dithiophosphato-S,S')(triphenylphosphine-P)palladium(II)","","- C22 H25 Cl O2 P2 Pd S2 -","- C22 H25 Cl O2 P2 Pd S2 -","- C176 H200 Cl8 O16 P16 Pd8 S16 -","8","2","DE1097","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Narayan, Sanjay; Jain, Vimal K.","Chloro(diethyl dithiophosphato-<i>S</i>,<i>S</i>')(triphenylphosphine-<i>P</i>)palladium(II)","Acta Crystallographica Section C","1999","55","4","541","543","10.1107/S0108270198014905","","","0.71073","MoKα","","0.081","0.053","","0.217","0.159","","","","1.07","0.902","0.902","","","","","has coordinates","198633","2020-10-21","18:00:00",""
"2008343","13.9841","0.0002","16.8118","0.0002","16.8033","0.0002","90","","93.858","0.001","90","","3941.47","0.09","203","2","203","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Cl9 D3 N2 O6 P2 Pd -","- C28 H25 Cl9 N2 O6 P2 Pd -","- C112 H100 Cl36 N8 O24 P8 Pd4 -","4","1","FG1483","Rath, Nigam P.; Stockland Jr, Robert A.; Anderson, Gordon K.","[Bis(diphenylphosphino)methane]dinitratopalladium(II) tris(deuteriochloroform) solvate","Acta Crystallographica Section C","1999","55","4","494","496","10.1107/S0108270198016345","","","0.71073","MoKα","","0.047","0.04","","","","0.109","","","","","","1.034","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2008344","7.791","0.001","11.198","0.001","16.986","0.002","90","","90","","90","","1481.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Santonic Acid","(-)-octahydro-α,3a,5-trimethyl-6,8-dioxo-1,4-methano- 1H-indene-1-acetic acid","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","FG1516","Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","Santonic acid: catemeric hydrogen bonding in a γ,ε-diketo carboxylic acid","Acta Crystallographica Section C","1999","55","4","566","568","10.1107/S0108270198014231","","","0.71073","MoKα","","0.077","0.053","","0.135","0.12","","","","1.08","1.12","1.12","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008345","10.3179","0.0001","13.6397","0.0001","27.183","0.0005","90","","90","","90","","3825.55","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Leucyl-L-leucine 2-methyl-1-propanol (1:1)","","- C16 H34 N2 O4 -","- C16 H34 N2 O4 -","- C128 H272 N16 O32 -","8","2","FG1518","Görbitz, Carl Henrik","<small>L</small>-Leucyl-<small>L</small>-leucine 2-methyl-1-propanol solvate","Acta Crystallographica Section C","1999","55","4","670","672","10.1107/S0108270198016369","","","0.71073","MoKα","","0.077","0.059","","0.145","0.135","","","","1.076","1.104","1.104","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008346","9.975","0.002","9.975","0.002","10.418","0.002","90","","90","","90","","1036.6","0.4","293","2","293","2","","","","","","","","5","P 41","P 4w","76","FF-arabino-uridine","1-(2'-fluoro-2'-deoxy-β-D-arabinofuranosyl) -5-fluoro-2,4(1H,3H)-pyrimidinedione","","- C9 H10 F2 N2 O5 -","- C9 H10 F2 N2 O5 -","- C36 H40 F8 N8 O20 -","4","1","FG1521","Hempel, Andrew; Camerman, Norman; Grierson, John; Mastropaolo, Donald; Camerman, Arthur","FF-β-<small>D</small>-Arabinofuranosyluracil","Acta Crystallographica Section C","1999","55","4","632","633","10.1107/S0108270198015455","","","1.54178","CuKα","","0.029","0.0284","","","","0.0917","","","","","","0.865","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008347","9.305","0.002","12.78","0.003","10.444","0.003","90","","101.79","0.02","90","","1215.8","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(+/-)-10a-Carboxy-1,9,10,10a-tetrahydrophenanthren-3(2H)-one","(+/-)-10a-Carboxy-1,9,10,10a-tetrahydrophenanthren-3(2H)-one","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","FG1524","Miller, Alan J.; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(±)-3-Oxo-1,2,3,9,10,10a-hexahydrophenanthrene-10a-carboxylic acid: catemeric hydrogen bonding in a δ-keto acid","Acta Crystallographica Section C","1999","55","4","563","566","10.1107/S0108270198017417","","","0.71073","MoKα","","0.123","0.059","","0.138","0.109","","","","1.04","1.16","1.16","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008348","8.945","0.001","10.318","0.001","10.127","0.001","90","","96.4","0.01","90","","928.84","0.17","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(±)-1-Indanone-2-acetic Acid","(+\-)-2-(carboxymethyl)-2,3-dihydro-1H-indene-1-one","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","FG1525","Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W.","(±)-1-Indanone-2-acetic and -2-propionic acids: catemeric <i>versus</i> dimeric hydrogen bonding in homologous γ- and δ-keto acids","Acta Crystallographica Section C","1999","55","4","568","572","10.1107/S0108270198017405","","","0.71073","MoKα","","0.069","0.043","","","","0.108","","","","","","1.03","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008349","8.093","0.001","8.326","0.001","15.614","0.002","90","","96.2","0.01","90","","1046","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(±)-1-Indanone-2-propionic Acid","(+\-)-2-(2-carboxyethyl)-2,3-dihydro-1H-inden-1-one","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","FG1525","Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W.","(±)-1-Indanone-2-acetic and -2-propionic acids: catemeric <i>versus</i> dimeric hydrogen bonding in homologous γ- and δ-keto acids","Acta Crystallographica Section C","1999","55","4","568","572","10.1107/S0108270198017405","","","0.71073","MoKα","","0.074","0.048","","","","0.134","","","","","","1.06","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008350","13.2974","0.0006","7.9474","0.0004","27.3988","0.0014","90","","90","","90","","2895.5","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,4-Dihydro-1H-isoquinoline-2-carbamoyl-3-methylimidazolium Iodide","","- C14 H16 I N3 O -","- C14 H16 I N3 O -","- C112 H128 I8 N24 O8 -","8","1","FG1529","Batey, Robert A.; Yoshina-Ishii, Chiaki; Lough, Alan J.","3-Methyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ylcarbonyl)imidazolium iodide","Acta Crystallographica Section C","1999","55","4","615","618","10.1107/S0108270198016473","","","0.71073","MoKα","","0.086","0.041","","","","0.091","","","","","","0.981","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008351","16.38","0.003","6.536","0.002","8.514","0.002","90","","90","","90","","911.5","0.4","296.2","","296.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","2,3-Dicyano-1,4-dihydroxybenzene","","","- C8 H2 Cl2 N2 O2 -","- C8 H2 Cl2 N2 O2 -","- C32 H8 Cl8 N8 O8 -","4","0.5","FG1531","Hoshina, Gakuse; Ohba, Shigeru; Tsuchimoto, Masanobu","Redetermination of 2,3-dichloro-5,6-dicyano-1,4-dihydroxybenzene","Acta Crystallographica Section C","1999","55","4","592","594","10.1107/S0108270198017399","","","0.7107","MoKα","","0.038","0.031","","","","0.058","","","","","","0.991","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008352","9.6682","0.0009","33.169","0.002","9.9711","0.0008","90","","98.82","0.01","90","","3159.8","0.4","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H48 O4 Si4 -","- C23 H48 O4 Si4 -","- C92 H192 O16 Si16 -","4","1","FR1141","Moreno-Fuquen, Rodolfo; Jaramillo-Gómez, Luz Marina; Martín-Franco, Jaime","(<i>E</i>)-Dimethyl 4-isopropyl-3-[tris(trimethylsilyl)silylmethylene]-1,1-cyclohexanedicarboxylate","Acta Crystallographica Section C","1999","55","4","630","632","10.1107/S010827019801378X","","","0.71073","MoKα","","0.1005","0.0534","","0.1799","0.135","","","","1.097","1.015","1.015","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008353","9.153","0.001","11.495","0.001","10.277","0.001","90","","93.161","0.004","90","","1079.64","0.18","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Spiro[1-azabicyclo[5.3.0]decane-6,2'(5'H)-furan]-2'10-dione","","- C12 H15 N O3 -","- C12 H14.76 N O3 -","- C48 H59.04 N4 O12 -","4","2","FR1145","Lynch, Vincent M.; Bur, Scott K.; Martin, Stephen F.","Spiro[1-azabicyclo[5.3.0]decane-6,2'(5'<i>H</i>)-furan]-5',10-dione: an example of kryptoracemic crystallization","Acta Crystallographica Section C","1999","55","4","622","624","10.1107/S0108270198012748","","","0.71073","MoKα","","0.0377","0.0337","","0.0824","0.0796","","","","1.006","1.015","1.015","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008354","7.736","0.006","11.69","0.004","14.704","0.005","82.58","0.04","79.28","0.04","88.56","0.04","1295.6","1.2","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","2-Ethylthio-9-methyl-1,4-dihydroacridine-1,4-dione","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","2","FR1151","Baker, L.-J.; Clark, George R.; Copp, Brent R.; Hansen, Richard P.; Squire, Christopher J.","2-Ethylthio-9-methyl-1,4-dihydroacridine-1,4-dione and 9-methyl-2-(4-tolylthio)-1,4-dihydroacridine-1,4-dione","Acta Crystallographica Section C","1999","55","4","634","636","10.1107/S0108270198014929","","","0.71073","MoKα","","0.092","0.055","","","","0.154","","","","","","1.031","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008355","9.2792","0.0002","8.7627","0.0002","20.1726","0.0005","90","","98.445","0.001","90","","1622.47","0.07","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9-methyl-2-(4-tolylthio)-1,4-dihydroacridine-1,4-dione","","- C21 H15 N O2 S -","- C21 H15 N O2 S -","- C84 H60 N4 O8 S4 -","4","1","FR1151","Baker, L.-J.; Clark, George R.; Copp, Brent R.; Hansen, Richard P.; Squire, Christopher J.","2-Ethylthio-9-methyl-1,4-dihydroacridine-1,4-dione and 9-methyl-2-(4-tolylthio)-1,4-dihydroacridine-1,4-dione","Acta Crystallographica Section C","1999","55","4","634","636","10.1107/S0108270198014929","","","0.71073","MoKα","","0.043","0.035","","","","0.094","","","","","","1.042","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008356","5.406","0.004","6.512","0.004","13.118","0.005","74.52","0.03","79.4","0.03","70.3","0.03","416.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Copper(II)diaquadi(3,6-dicarboxylatopyridazinium)dihydrate","Copper(II)diaquadi(3,6-dicarboxylatopyridazinium)dihydrate","","- C12 H14 Cu N4 O12 -","- C12 H14 Cu N4 O12 -","- C12 H14 Cu N4 O12 -","1","0.5","FR1155","Sobanska, Sophie; Lagrenee, Michel; Wignacourt, Jean-Pierre; Holt, Elizabeth M.","Diaquabis(pyridazin-1-ium-3,6-dicarboxylato-<i>N</i>^2^,<i>O</i>^3^)copper(II) dihydrate","Acta Crystallographica Section C","1999","55","4","553","555","10.1107/S0108270199000116","","","0.71069","MoKα","","0.038","0.035","","","","0.09","","","","","","1.083","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008357","27.7745","0.0012","7.327","0.0003","11.9575","0.0005","90","","91.126","0.001","90","","2432.93","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","p-Hydroxybenzaldehyde nicotinoylhydrazone monohydrate","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C104 H104 N24 O24 -","8","1","FR1156","Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Zhong-Lin Lu; Bei-Sheng Kang","<i>p</i>-Hydroxybenzaldehyde nicotinoylhydrazone monohydrate","Acta Crystallographica Section C","1999","55","4","574","576","10.1107/S0108270198015893","","","0.71073","MoKα","","0.1211","0.0639","","","","0.146","","","","","","1.058","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008358","9.9152","0.0006","11.0521","0.0007","13.763","0.001","69.6","0.005","73.969","0.006","65.035","0.005","1266.67","0.16","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 N O6 -","- C28 H27 N O6 -","- C56 H54 N2 O12 -","2","1","FR1166","Özbey, Süheyla; Kendi, Engin; Kılcıgil Ayhan, Gülgün; Ertan, Rahmiye","A flavone 1,4-dihydropyridine calcium antagonist","Acta Crystallographica Section C","1999","55","4","678","680","10.1107/S0108270198014930","","","0.71069","MoKα","","","0.047","","","0.054","","","","","1.05","1.05","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008359","12.5684","0.0009","14.4723","0.001","6.1016","0.0009","90","","90","","90","","1109.8","0.2","150","2","150","2","","","","","","","","2","P n a 21","P 2c -2n","33","Acefluoranthylene","Cyclopenta[cd]fluoranthene","","- C18 H10 -","- C18 H10 -","- C72 H40 -","4","1","GD1006","Lutz, Martin; Spek, Anthony L.; Sarobe, Martin; Jenneskens, Leonardus W.","Acefluoranthylene","Acta Crystallographica Section C","1999","55","4","659","661","10.1107/S0108270198013298","","","0.71073","MoKα","","0.04","0.034","","","","0.089","","","","","","1.024","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008360","13.271","0.002","6.674","0.002","14.79","0.001","90","","97.505","0.01","90","","1298.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","t-butylammonium hydrogenphenylphosphate","","- C10 H18 N O4 P -","- C10 H18 N O4 P -","- C40 H72 N4 O16 P4 -","4","1","GD1010","Reinoso, Santiago; Vitoria, Pablo; Ugalde, Maria; Gutiérrez-Zorrilla, Juan M.; Luque, Antonio; Román, Pascual","<i>tert</i>-Butylammonium hydrogen phenyl phosphate","Acta Crystallographica Section C","1999","55","4","683","685","10.1107/S0108270198016734","","","0.71069","MoKα","","","0.037","","0.053","0.043","","","","","","","3.11","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008361","10.494","0.004","13.11","0.004","13.485","0.004","90","","90","","90","","1855.2","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Complexe de cuivre(II) diamino-1,2(cyclohexane diacétatodiacétique) trihydrate","","- C14 H26 Cu N2 O11 -","- C14 H26 Cu N2 O11 -","- C56 H104 Cu4 N8 O44 -","4","1","GS1006","Ben Amor, Fatma; Jouini, Tahar","Complexe de cuivre(II) diamino-1,2-(cyclohexane diacétatodiacétique) trihydrate","Acta Crystallographica Section C","1999","55","4","499","501","10.1107/S0108270198011561","","","0.71069","MoKα","","0.048","0.037","","0.1","0.09","","","","1.093","1.061","1.061","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008362","7.095","0.002","11.761","0.004","8.419","0.003","90","","98.4","0.02","90","","695","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Aqua(N,N,N',N'-tetramethylethylenediamine)diisothiocyanato-copper(II)","","- C8 H18 Cu N4 O S2 -","- C8 H18 Cu N4 O S2 -","- C16 H36 Cu2 N8 O2 S4 -","2","1","GS1023","Vrábel, Viktor; Garaj, Ján; Sivý, Július; Oktavec, Drahomír","Aquadiisothiocyanato(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section C","1999","55","4","551","553","10.1107/S0108270198014553","","","0.71069","MoKα","","0.033","0.024","","0.06","0.059","","","","0.83","0.901","0.901","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008363","8.761","0.0005","8.8907","0.0004","10.4403","0.0006","112.419","0.004","106.101","0.005","96.407","0.004","700.3","0.08","293","","","","","","","","","","","4","P -1","-P 1","2","","diclhoro (phenylethinyl)(butyl)tellurium(IV)","","- C12 H14 Cl2 Te -","- C12 H14 Cl2 Te -","- C24 H28 Cl4 Te2 -","2","1","GS1025","Zukerman-Schpector, J.; Camillo, Robinson L.; Dabdoub, Miguel J.; Begnini, Mauro L.; Caracelli, I.","Butyldichloro(phenylethynyl)tellurium(IV)","Acta Crystallographica Section C","1999","55","4","648","650","10.1107/S0108270198014565","","","0.71073","MoKα","","0.03","0.028","","0.077","","0.075","","","1.117","","","1.122","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008364","14.361","0.002","13.711","0.002","7.475","0.002","90","","90","","90","","1471.9","0.5","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H17 N O6 P2 -","- C11 H17 N O6 P2 -","- C44 H68 N4 O24 P8 -","4","1","GS1026","Saint-Clair, Jean-François; Siméon, Fabrice; Villemin, Didier; Averbuch-Pouchot, Marie-Thérèse","2-Hydroxy-5-methyl-2-oxo-6-phenyl-4-phosphonomethyl-1,4,2-oxazoniaphosphorinane","Acta Crystallographica Section C","1999","55","4","588","590","10.1107/S0108270198016643","","","0.7107","MoKα","","0.0264","0.0264","","0.0331","0.0331","","","","1.836","1.836","1.836","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008365","12.7246","0.0015","9.5273","0.0017","18.451","0.002","90","","93.098","0.012","90","","2233.6","0.5","296","1","296","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-methylbenzoyl)-6-(4-methylbenzilidene)-3-phenyl-2oxa-3-azabicyclo[3.3.0] oct-7-ene","","- C28 H25 N O2 -","- C28 H25 N O2 -","- C112 H100 N4 O8 -","4","1","GS1028","Djapa, Francis; Ciamala, Kabula; Vebrel, Joël; Kubicki, Marek M.; Blacque, Olivier","4-(4-Methylbenzoyl)-6-(4-methylbenzylidene)-3-phenyl-2-oxa-3-azabicyclo[3.3.0]oct-7-ene","Acta Crystallographica Section C","1999","55","4","677","678","10.1107/S0108270198015947","","","0.71073","MoKα","","0.1658","0.0502","","","","0.1564","","","","","","0.995","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008366","3.7946","0.0002","19.1766","0.0007","13.0641","0.0006","90","","96.893","0.001","90","","943.77","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Aminopyrimidine-Fumaric Acid (1:2) co-crystal","","- C8 H9 N3 O4 -","- C8 H9 N3 O4 -","- C32 H36 N12 O16 -","4","1","HA1239","Shyamaprosad Goswami; Ajit Kumar Mahapatra; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak","2-Aminopyrimidine–fumaric acid cocrystal","Acta Crystallographica Section C","1999","55","4","583","585","10.1107/S0108270198014127","","","0.71073","MoKα","","0.103","0.067","","","","0.184","","","","","","1.055","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008367","7.1276","0.0006","7.886","0.0006","8.9938","0.0007","100.143","0.002","91.493","0.002","110.972","0.001","462.47","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Acetylamino-6-methylpyridine N-oxide monohydrate","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C16 H24 N4 O6 -","2","1","HA1243","Shyamaprasad Goswami; Kumaresh Ghosh; Ajit Kumar Mahapatra; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun","2-Acetylamino-6-methylpyridine <i>N</i>-oxide monohydrate","Acta Crystallographica Section C","1999","55","4","579","581","10.1107/S0108270198014139","","","0.71073","MoKα","","0.071","0.05","","","","0.161","","","","","","1.044","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008368","13.585","0.002","35.391","0.007","7.067","0.002","90","","90","","90","","3397.7","1.3","296.2","","296.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(2-aminoethyl)-2,3-diphenylpiperazine hydrochloride","","- C18 H24 Cl N3 -","- C18 H24 Cl N3 -","- C144 H192 Cl8 N24 -","8","1","HA1247","Sarmistha Basu Majumder; Monika Mukherjee; Goutam Kumar Patra; Dipankar Datta; Madeleine Helliwell","2-(2,3-Diphenylpiperazin-1-yl)ethylammonium chloride","Acta Crystallographica Section C","1999","55","4","668","670","10.1107/S0108270198017648","","","1.5418","CuKα","","0.14","0.0561","","0.2646","0.1371","","","","1.056","1.042","1.042","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008369","7.375","0.0001","12.53","0.0002","15.8752","0.0002","84.095","0.001","86.38","0.001","77.933","0.001","1425.67","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","3,5,7,3'-tetrahydroxy-4'-methoxyflavone monohydrate","","- C16 H14 O8 -","- C16 H14 O8 -","- C64 H56 O32 -","4","2","HA1249","Nor Syarmila Shuib; Teng Wah Sam; Keng Chong Wong; Kandasamy Chinnakali; Hoong-Kun Fun","Tamarixetin monohydrate","Acta Crystallographica Section C","1999","55","4","576","578","10.1107/S0108270198017430","","","0.71073","MoKα","","0.076","0.059","","","","0.163","","","","","","1.184","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008370","31.425","0.005","14.289","0.002","12.375","0.002","90","","90","","90","","5556.8","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H36 Cl N3 O8 Zn -","- C26 H36 Cl N3 O8 Zn -","- C208 H288 Cl8 N24 O64 Zn8 -","8","1","JZ1294","Balogh-Hergovich, Éva; Kaizer, József; Speier, Gábor; Huttner, Gottfried; Rutsch, Peter","[3,3'-Iminobis(<i>N</i>,<i>N</i>-dimethylpropylamine)](4'-methoxyflavonolato)zinc(II) perchlorate, [Zn(4'-MeOfla)(idpaH)]ClO~4~","Acta Crystallographica Section C","1999","55","4","557","558","10.1107/S0108270198016795","","","0.71073","MoKα","","0.097","0.059","","","","0.104","","","","","","1.123","","","","has coordinates,has disorder","301791","2025-08-18","23:15:32",""
"2008371","11.684","0.002","14.943","0.003","16.749","0.003","105.79","0.01","106.85","0.01","91.36","0.01","2676.4","0.9","293","2","","","","","","","","","","7","P -1","-P 1","2","","Chlorobis-[1,2-bis(diphenylphosphino)ethane]oxotungsten(IV) hexafluorophospate chloroform solvate","","- C53 H49 Cl4 F6 O P5 W -","- C53 H49 Cl4 F6 O P5 W -","- C106 H98 Cl8 F12 O2 P10 W2 -","2","1","JZ1303","Llusar, R.; Mata, J.; Peris, E.; Köckerling, M.","The oxotungsten(IV) complex [WOCl(Ph~2~PCH~2~CH~2~PPh~2~)~2~]PF~6~^.^CHCl~3~","Acta Crystallographica Section C","1999","55","4","506","508","10.1107/S0108270198015856","","","0.71073","MoKα","","","0.046","","","","0.048","","","","1.421","1.421","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008372","11.663","0.004","25.704","0.005","12.07","0.004","90","","103.856","0.014","90","","3513.1","1.8","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-Oxo-bis-[N,N'-ehtylene-bis(2-thioacetophenonidenimine)iron(III)]","","- C36 H36 Fe2 N4 O S4 -","- C36 H36 Fe2 N4 O S4 -","- C144 H144 Fe8 N16 O4 S16 -","4","1","JZ1316","Karsten, Peter; Strähle, Joachim","μ-Oxo-bis[<i>N</i>,<i>N</i>'-ethylenebis(2-thioacetophenonidenimine)iron(III)]","Acta Crystallographica Section C","1999","55","4","488","489","10.1107/S0108270198014826","","","1.5418","CuKα","","0.0909","0.0563","","0.194","","0.1514","","","0.931","","","0.854","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008373","3.9321","0.0008","10.886","0.002","8.3","0.0009","90","","103.6","0.01","90","","345.32","0.1","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 O2 S4 -","- C4 O2 S4 -","- C8 O4 S8 -","2","0.5","JZ1320","Harald Müller; Marie-Thérèse Averbuch","1,3,4,6-Tetrathiapentalene-2,5-dione","Acta Crystallographica Section C","1999","55","4","590","592","10.1107/S0108270198014346","","","0.7107","MoKα","","0.0295","0.0295","","0.0448","0.0448","","","","1.919","1.919","1.919","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008374","26.392","0.006","8.041","0.001","18.168","0.004","90","","132.39","0.01","90","","2847.6","1.1","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{μ-[N,N'-diethyl-N,N'-bis(β-mercaptoethyl)-1,3- propanediamine]}dimanganese(II).","","- C22 H48 Mn2 N4 S4 -","- C22 H48 Mn2 N4 S4 -","- C88 H192 Mn8 N16 S16 -","4","0.5","JZ1322","Jörg Schneider; Birgit Schnautz; Ralf Hauptmann; Gerald Henkel","Bis(μ-3,7-diethyl-3,7-diazanonane-1,9-dithiolato)dimanganese(II)","Acta Crystallographica Section C","1999","55","4","489","491","10.1107/S0108270198016485","","","0.71073","MoKα","","","0.0245","","","","0.0646","","","","1.091","1.091","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2008375","9.798","0.003","18.752","0.004","19.246","0.002","90","","90","","90","","3536.1","1.4","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2S,4S,5R,6S)-2-benzylcarbamoyl-6-bromo-3,3-dimethyl-4-thia-1- -azabicyclo[3.2.0]heptan-7-one 4-oxide hydrate","","- C15 H19 Br N2 O4 S -","- C15 H19 Br N2 O4 S -","- C120 H152 Br8 N16 O32 S8 -","8","2","KA1291","Danilovski, Aleksandar; Vinković, Mladen; Herak, Jure J.","Two novel optically active penam derivatives","Acta Crystallographica Section C","1999","55","4","656","659","10.1107/S0108270198015108","","","0.71073","MoKα","","0.28","0.069","","0.178","0.118","","","","0.969","1.239","1.239","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008376","5.295","0.006","11.559","0.008","11.698","0.011","90","","90.64","0.08","90","","715.9","1.2","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","(5R)-3-benzylimino-2-isopropylidene-4-thia-1-azabicyclo[3.2.0]heptan-7-one","","- C15 H16 N2 O S -","- C15 H16 N2 O S -","- C30 H32 N4 O2 S2 -","2","1","KA1291","Danilovski, Aleksandar; Vinković, Mladen; Herak, Jure J.","Two novel optically active penam derivatives","Acta Crystallographica Section C","1999","55","4","656","659","10.1107/S0108270198015108","","","0.71073","MoKα","","0.128","0.061","","0.143","0.115","","","","0.992","1.164","1.164","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008377","12.5516","0.0015","7.6362","0.0007","19.828","0.002","90","","94.049","0.011","90","","1895.7","0.3","134","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Acetyl-2-(3,3-dimethyl-2-butylidene)hydrazine.","","- C8 H16 N2 O -","- C8 H16 N2 O -","- C64 H128 N16 O8 -","8","2","KA1301","Bats, Jan W.; Grundl, Marc A.; Hashmi, A. Stephen K.","1-Acetyl-2-(3,3-dimethyl-2-butylidene)hydrazine: a monoclinic crystal structure with local orthorhombic pseudosymmetry","Acta Crystallographica Section C","1999","55","4","689","691","10.1107/S0108270198015157","","","0.71073","Mo-Kα","","","0.063","","","0.053","","","","","1.283","1.283","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008378","14.0723","0.0009","7.462","0.002","21.489","0.001","90","","90","","90","","2256.5","0.6","296","1","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-Dibromobiphenyl","","- C12 H8 Br2 -","- C12 H8 Br2 -","- C96 H64 Br16 -","8","1","LN1062","MacNeil, Dean D.; Decken, Andreas","2,2'-Dibromobiphenyl","Acta Crystallographica Section C","1999","55","4","628","630","10.1107/S0108270198015339","","","1.54178","CuKα","","","0.0326","","","","0.113","","","","","","1.032","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008379","14.627","0.003","15.834","0.004","43.135","0.013","90","","90","","90","","9990","4","203","1","203","1","","","","","","","","5","F 2 d d","F -2d 2","43","","1,13-Diaza-2,14-cyclotetraeicosanedione","","- C22 H43 Cl N2 O2 -","- C22 H43 Cl N2 O2 -","- C352 H688 Cl16 N32 O32 -","16","1","LN1071","Escudero, Encarnacion; Subirana, José A.; Solans, Xavier","Amino-11-undecanoic acid cyclic dimer hydrochloride","Acta Crystallographica Section C","1999","55","4","644","646","10.1107/S0108270198015480","","","0.71069","MoKα","","0.2026","0.0494","","","","0.1966","","","","","","0.847","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008380","9.308","0.002","10.6395","0.0019","11.225","0.002","86.959","0.016","70.753","0.019","79.375","0.018","1031.5","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","7,11-Dihydro-9,10-dimethoxy-3,11b-diphenyl[1,2,4]oxadiazolo[5,4-a][2,3] benzodiazepin-6(5H)-one","","- C24 H21 N3 O4 -","- C24 H21 N3 O4 -","- C48 H42 N6 O8 -","2","1","NA1353","Bruno, Giuseppe; Chimirri, Alba; Gitto, Rosaria; Nicoló, Francesco; Scopelliti, Rosario","7,11b-Dihydro-9,10-dimethoxy-3,11b-diphenyl[1,2,4]oxadiazolo[5,4-<i>a</i>][2,3]benzodiazepin-6(5<i>H</i>)-one","Acta Crystallographica Section C","1999","55","4","685","687","10.1107/S010827019801227X","","","0.71073","MoKα","","0.0623","0.0342","","0.0802","0.0754","","","","0.796","1","1","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008381","6.1418","0.0002","7.5325","0.0001","14.5931","0.0005","91.876","0.002","101.71","0.001","95.106","0.002","657.55","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","fluoropyridyl-biphenyl","1-perfluoropyridyl-4-phenylbenzene","","- C17 H9 F4 N -","- C17 H9 F4 N -","- C34 H18 F8 N2 -","2","1","NA1381","Resel, Roland; Thurner, Philipp; Kahlert, Hartmut; Völlenkle, Horst; Winkler, Berthold; Müllner, Ruth; Stelzer, Franz; Tunega, Daniel; Leising, Günther","4-(4-Biphenyl)-2,3,5,6-tetrafluoropyridine, a new material for application in light-emitting diodes","Acta Crystallographica Section C","1999","55","4","693","695","10.1107/S0108270198015169","","","0.71073","MoKα","","0.065","0.046","","0.167","0.135","","","","1.189","1.116","1.116","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008382","9.2654","0.0012","10.6629","0.0014","27.703","0.004","90","","90","","90","","2736.9","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(25R)-3beta-bromo-6beta-acetoxy-5alfa-spirostan-23-one","","- C29 H43 Br O5 -","- C29 H43 Br O5 -","- C116 H172 Br4 O20 -","4","1","NA1383","Héctor Novoa de Armas; Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter; Ramón Pomés Hernández; Martín A. Iglesias Arteagas; Roxana Pérez Gil; Francisco Coll Manchado","(25<i>R</i>)-6β-Acetoxy-3β-bromo-5α-spirostan-23-one","Acta Crystallographica Section C","1999","55","4","601","603","10.1107/S0108270198016382","","","1.54178","CuKα","","0.081","0.061","","0.171","","0.142","","","1.097","","","1.097","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008383","9.185","0.001","12.052","0.001","18.899","0.001","90","","90","","90","","2092.1","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(1S,R~S~)-N-methyl-6,7-dimethoxy-1-(p-tolylsulfinyl)methyl- 1-trifluoromethyl-1,2,3,4-tetrahydroisoquinoline","","- C21 H24 F3 N O3 S -","- C21 H24 F3 N O3 S -","- C84 H96 F12 N4 O12 S4 -","4","1","NA1386","Pierfrancesco Bravo; Eleonora Corradi; Marcello Crucianelli; Stefano Valdo Meille; Matteo Zanda","(1<i>S</i>,<i>R</i>~S~)-6,7-Dimethoxy-<i>N</i>-methyl-1-(<i>p</i>-tolylsulfinylmethyl)-1-trifluoromethyl-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section C","1999","55","4","687","689","10.1107/S0108270198016114","","","1.5418","CuKα","","0.0757","0.0575","","","","0.1612","","","","","","1.057","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008384","9.619","0.001","10.325","0.002","18.91","0.003","90","","90","","90","","1878.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)1-(1-hydroxymethyl-propyl)-pyrrolidine-2,5-dione","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C64 H104 N8 O24 -","8","2","NA1387","Pilati, Tullio; G. Biju Kumar; Amrish C. Shah","(<i>R</i>)-<i>N</i>-(1-Hydroxybut-2-yl)pyrrolidine-2,5-dione","Acta Crystallographica Section C","1999","55","4","612","613","10.1107/S010827019801484X","","","0.71073","MoKα","","0.0956","0.0465","","","","0.1163","","","","","","0.97","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008385","11.8787","0.0008","15.483","0.001","12.3467","0.0008","90","","108.21","0.01","90","","2157.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3,6,6-tetramethyl-9-(3-nitrophenyl)-3,4,5,6,10-hexahydroacridine- 1,8(2H,7H)-dione","","- C23 H26 N2 O4 -","- C23 H26 N2 O4 -","- C92 H104 N8 O16 -","4","1","NA1388","Héctor Novoa de Armas; Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter; Margarita Suárez Navarro; Yamila Verdecia Reyes; Estael Ochoa Rodríguez; Esperanza Salfrán","3,3,6,6-Tetramethyl-9-(3-nitrophenyl)-3,4,5,6,9,10-hexahydroacridine-1,8(2<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section C","1999","55","4","596","599","10.1107/S0108270198016394","","","1.54178","CuKα","","0.087","0.059","","","","0.186","","","1.108","","","1.108","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008386","7.163","0.001","18.299","0.001","10.407","0.001","90","","109.55","0.01","90","","1285.5","0.2","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Co N4 O8 -","- C26 H26 Co N4 O8 -","- C52 H52 Co2 N8 O16 -","2","0.5","NA1389","Hökelek, Tuncer; Necefoğlu, Hacalı","<i>trans</i>-Diaquabis(benzoato-<i>O</i>)bis(nicotinamide-<i>N</i>^1^)cobalt(II)","Acta Crystallographica Section C","1999","55","4","545","547","10.1107/S0108270199000153","","","0.71073","MoKα","","","0.027","","","0.038","","","","","1.38","1.38","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008387","7.7585","0.0005","15.606","0.001","22.8759","0.0009","90","","90","","90","","2769.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl-4β-bromine-7α-cathyloxy-3-oxo-5β-cholanoate","","- C28 H43 Br O6 -","- C28 H40 Br O6 -","- C112 H160 Br4 O24 -","4","1","NA1393","Héctor Novoa de Armas; Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter; Ramón Pomés Hernández; Francisco Coll Manchado; Roxana Pérez Gil","Methyl 4β-bromo-7α-cathyloxy-3-oxo-5β-cholanoate","Acta Crystallographica Section C","1999","55","4","599","601","10.1107/S0108270198016400","","","1.54178","CuKα","","0.054","0.044","","","","0.138","","","1.071","","","1.071","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2008388","10.6629","0.0004","9.8546","0.0004","17.5982","0.0008","90","","94.249","0.001","90","","1844.11","0.13","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-benzoyl-1-naphthylbenzoate","","- C24 H16 O3 -","- C24 H16 O3 -","- C96 H64 O12 -","4","1","NA1396","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan","2-Benzoyl-1-naphthyl benzoate","Acta Crystallographica Section C","1999","55","4","587","588","10.1107/S010827019801765X","","","0.71073","MoKα","","0.105","0.065","","","","0.18","","","","","","1.142","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008389","9.245","0.002","16.226","0.002","8.828","0.002","92.41","0.01","98.17","0.02","78.08","0.01","1282.5","0.4","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","5-(8,8-Dicyanoheptafulven-3-yl)-2-hydroxy-1,3-xylyl-18-crown-5 potassium salt monohydrate","","- C26 H29 K N2 O7 -","- C26 H29 K N2 O7 -","- C52 H58 K2 N4 O14 -","2","1","OA1064","Shinya Matsumoto; Kaname Yumura; Hiroyuki Otani; Jin Mizuguchi","5-(8,8-Dicyanoheptafulven-3-yl)-2-hydroxy-1,3-xylyl-18-crown-5 potassium salt monohydrate","Acta Crystallographica Section C","1999","55","4","536","538","10.1107/S0108270198014772","","","1.5418","CuKα","","0.1006","0.0556","","0.0687","0.0605","","","","1.23","1.312","1.312","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008390","18.62","0.01","12.691","0.008","17.42","0.01","90","","121.17","0.05","90","","3522","4","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Bromo-2,3-diphenylmethano-2,3-dihydronaphthoquinone","","- C23 H15 Br O2 -","- C23 H15 Br O2 -","- C184 H120 Br8 O16 -","8","1","OA1073","Takumi Oshima; Kazuaki Fukushima; Tatsuya Kawamoto","2-Bromo-2,3-diphenylmethano-2,3-dihydronaphthoquinone","Acta Crystallographica Section C","1999","55","4","608","610","10.1107/S0108270198015212","","","0.71073","MoKα","","","0.054","","","0.067","","","","","2.296","2.296","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008391","13.15","0.002","11.545","0.002","14.565","0.002","90","","102.02","0.01","90","","2162.7","0.6","297","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(pyridine)-bis(2-thiopheneglyoxylato-O^1^,O^2^)copper(II)","","- C22 H16 Cu N2 O6 S2 -","- C22.334 H15.8 Cu N2 O6 S1.876 -","- C89.336 H63.2 Cu4 N8 O24 S7.504 -","4","0.5","OA1077","Nakasa, Kazuyuki; Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru","Copper(II) 2-thiopheneglyoxylate adducts with pyridine derivatives","Acta Crystallographica Section C","1999","55","4","513","517","10.1107/S0108270198016424","","","0.71073","MoKα","","","0.039","","","0.04","","","","","1.401","1.401","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008392","20.16","0.003","9","0.002","24.497","0.003","90","","118.47","0.01","90","","3907.2","1.2","298","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[bis(2-thiopheneglyoxylato-O^1^,O^2^)copper(II) -μ-(2-thiopheneglyoxylato-O^1^:O^1^,O^2^)-bis(3-methylpyridine)copper(II) -μ-(2-thiopheneglyoxylato-O^1^,O^2^:O^1^)monohydrate","","- C36 H28 Cu2 N2 O13 S4 -","- C37.666 H27 Cu2 N2 O13 S3.376 -","- C150.664 H108 Cu8 N8 O52 S13.504 -","4","0.5","OA1077","Nakasa, Kazuyuki; Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru","Copper(II) 2-thiopheneglyoxylate adducts with pyridine derivatives","Acta Crystallographica Section C","1999","55","4","513","517","10.1107/S0108270198016424","","","0.71073","MoKα","","","0.052","","","0.05","","","","","1.643","1.643","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008393","11.894","0.002","18.092","0.003","11.452","0.002","90","","90","","90","","2464.3","0.7","299","","","","","","","","","","","6","P n c a","-P 2a 2n","60","","Bis(4-methylpyridine)-bis(2-thiopheneglyoxylato-O^1^,O^2^)copper(II)","","- C24 H20 Cu N2 O6 S2 -","- C24 H20 Cu N2 O6 S2 -","- C96 H80 Cu4 N8 O24 S8 -","4","0.5","OA1077","Nakasa, Kazuyuki; Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru","Copper(II) 2-thiopheneglyoxylate adducts with pyridine derivatives","Acta Crystallographica Section C","1999","55","4","513","517","10.1107/S0108270198016424","","","0.71073","MoKα","","","0.054","","","0.049","","","","","1.421","1.421","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008394","15.005","0.003","20.397","0.004","6.342","0.0013","90","","90","","90","","1941","0.7","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","tri-p-tolyltriazine","2,4,6-tris-(4-Methylphenyl)-1,3,5-triazine","","- C24 H21 N3 -","- C24 H21 N3 -","- C96 H84 N12 -","4","0.5","OA1078","Thalladi, Venkat R.; Muthuraman, Meiyappan; Nangia, Ashwini; Desiraju, Gautam R.","Tri-<i>p</i>-tolyl-1,3,5-triazine","Acta Crystallographica Section C","1999","55","4","698","700","10.1107/S0108270198018496","","","0.71073","MoKα","","0.072","0.049","","0.14","0.121","","","","1.171","1.191","1.191","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008395","7.922","0.002","8.198","0.002","26.58","0.004","90","","90","","90","","1726.2","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-Pentenoyl Sultam","3H-3aR,6S,7aS-8,8-Dimethyl-N-[(3S)-3,4-dimethylpent-4-enoyl]-2,2- dioxo-3a-6-methano-4,5,6,7-tetrahydro-2,1-benzisothiazole","","- C17 H27 N O3 S -","- C17 H27 N O3 S -","- C68 H108 N4 O12 S4 -","4","1","OB1002","Hughes, Andrew B.; Mackay, Maureen F.; McCaffrey, Narelle L.","Absolute structure of an <i>N</i>-pentenoyl benzisothiazole","Acta Crystallographica Section C","1999","55","4","610","612","10.1107/S0108270198016126","","","1.5418","CuKα","","0.054","0.054","","0.152","0.144","","","","1.055","1.047","1.047","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008396","8.517","0.002","7.731","0.002","10.83","0.002","90","","90.38","0.03","90","","713.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 Cl2 N4 O10 -","- C6 H16 Cl2 N4 O10 -","- C12 H32 Cl4 N8 O20 -","2","0.5","OS1034","Cheng-Yong Su; Wen-Jun Zhang; Bei-Sheng Kang","<i>N</i>,<i>N</i>'-Bis(2-ammonioethyl)oxamide diperchlorate","Acta Crystallographica Section C","1999","55","4","636","637","10.1107/S010827019801470X","","","0.71073","MoKα","","0.0721","0.0662","","0.1746","0.1681","","","","1.115","1.115","1.115","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008397","4.76","0.001","26.181","0.005","9.62","0.002","90","","92.86","0.0005","90","","1197.4","0.4","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Caesium 5-(2-cyanoethylthio)-1,3-dithiole-2-thione-4-thiolate","","- C6 H4 Cs N S5 -","- C6 H4 Cs N S5 -","- C24 H16 Cs4 N4 S20 -","4","1","OS1038","Simonsen, Klaus B.; Simonsen, Ole; Becher, Jan","Caesium 5-(2-cyanoethylthio)-2-thioxo-1,3-dithiole-4-thiolate","Acta Crystallographica Section C","1999","55","4","547","549","10.1107/S0108270198017442","","","0.71073","MoKα","","0.046","0.033","","0.315","0.044","","","","8.19","1.189","1.189","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008398","10.223","0.001","11.48","0.001","12.058","0.001","81.619","0.008","70.668","0.006","87.605","0.006","1321","0.2","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H32 N2 O4 S2 -","- C27 H32 N2 O4 S2 -","- C54 H64 N4 O8 S4 -","2","1","OS1042","Hökelek, Tuncer; Patır, Süleyman","<i>N</i>-(2,2-Dimethoxyethyl)-<i>N</i>-{9-methoxymethyl-1,2,3,4-tetrahydrospiro[carbazole-1,2'-[1,3]dithiolan]-4-yl}benzamide","Acta Crystallographica Section C","1999","55","4","675","677","10.1107/S0108270198017454","","","0.71073","MoKα","","","0.0626","","","0.0786","","","","","1.31","1.31","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008399","5.842","0.002","16.593","0.005","17.561","0.007","90","","90","","90","","1702.3","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","toluene-4-sulfonic acid 2-isopropyl-5-methyl-cyclohexyl ester","","- C17 H26 O3 S -","- C17 H26 O3 S -","- C68 H104 O12 S4 -","4","1","QA0096","Degen, Alexander; Bolte, Michael","(–)-3-<i>p</i>-Menthyl tosylate","Acta Crystallographica Section C","1999","55","4","IUC9900024","","10.1107/S0108270199099667","","","0.71073","MoKα","","0.039","0.031","","","","0.081","","","1.055","","","1.054","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008400","7.331","0.0001","14.0055","0.0003","9.2714","0.0002","90","","109.451","0.001","90","","897.6","0.03","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(Arylazo)imidazole","","- C9 H8 N4 -","- C9 H8 N4 -","- C36 H32 N16 -","4","1","QA0098","Hoong-Kun Fun; Kandasamy Chinnakali; Xiao-Feng Chen; Xu-Hui Zhu; Xiao-Zeng You","(1<i>H</i>-Imidazol-2-yl)phenyldiazene","Acta Crystallographica Section C","1999","55","4","IUC9900025","","10.1107/S0108270199099631","","","0.71073","MoKα","","0.074","0.043","","","","0.131","","","","","","1.023","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008401","7.215","0.002","8.209","0.004","16.542","0.004","90","","100.21","0.02","90","","964.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Hydroxy-cyclooctanone-O-methyl-oxime","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C36 H68 N4 O8 -","4","1","QA0099","Boese, Roland; Rademacher, Paul; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","5-Hydroxycyclooctanone <i>O</i>-methyloxime at 293K","Acta Crystallographica Section C","1999","55","4","IUC9900026","","10.1107/S010827019909962X","","","0.71073","MoKα","","0.057","0.042","","","","0.132","","","","","","1.027","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008402","8.916","0.003","6.0717","0.0015","12.62","0.003","90","","95.027","0.014","90","","680.6","0.3","103","2","103","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","dispiro[2.1.2.1]octane","","- C8 H12 -","- C8 H12 -","- C32 H48 -","4","0.5","QA0100","Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","Dispiro[2.1.2.1]octane at 103K","Acta Crystallographica Section C","1999","55","4","IUC9900023","","10.1107/S0108270199099618","","","0.71073","MoKα","","0.069","0.054","","","","0.156","","","","","","1.047","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008403","9.222","0.005","9.365","0.005","16.728","0.009","90","","104.62","0.01","90","","1397.9","1.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Allyl-3-(ethoxycarbonylmethylen)-2-oxo-1,2,3,4-tetrahydroquinoxaline","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","QA0101","Sersra, Souad; Essassi, El-Mokhtar; El-Bali, Brahim; Bolte, Michael","Ethyl 4-allyl-4-oxo-1,2,3,4-tetrahydroquinoxalin-2-ylideneacetate","Acta Crystallographica Section C","1999","55","4","IUC9900021","","10.1107/S0108270199099655","","","0.71073","MoKα","","0.127","0.055","","","","0.135","","","","","","0.994","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008404","9.1581","0.0005","9.3318","0.0007","13.4647","0.0008","90","","100.14","0.005","90","","1132.74","0.13","293","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","azepinoquinoleine","6-chloro-5H-tetrahydroazepino[3,2-c]quinoleine","","- C13 H13 Cl N2 -","- C13 H13 Cl N2 -","- C52 H52 Cl4 N8 -","4","1","QA0102","Bureau, Isabelle; Chardon, Josiane; Leclaire, Andre; Hinschberger, Antoine; Rault, Sylvain","6-Chloro-1<i>H</i>-2,3,4,5-tetrahydroazepino[3,2-<i>c</i>]quinoline","Acta Crystallographica Section C","1999","55","4","IUC9900022","","10.1107/S010827019909959X","","","0.71073","MoKα","","0.152","0.044","","0.059","0.044","","","","0.739","","","1.008","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008405","44.3229","0.0004","13.3413","0.0001","25.3433","0.0001","90","","105.845","0.001","90","","14416.7","0.19","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[(acetato-O,O')bis(triphenylphosphine-P)silver(I)] monohydrate sesquiethanol solvate","","- C79 H77 Ag2 O6.5 P4 -","- C79 H77 Ag2 O6.5 P4 -","- C632 H616 Ag16 O52 P32 -","8","1","QA0103","Hanna, John V.; Ng, Seik Weng","Redetermination of bis[(acetato-<i>O</i>,<i>O</i>')bis(triphenylphosphine-<i>P</i>)silver(I)] monohydrate sesquiethanol solvate","Acta Crystallographica Section C","1999","55","4","IUC9900031","","10.1107/S0108270199099692","","","0.71073","MoKα","","0.071","0.043","","","","0.112","","","","","","1.013","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008406","7.3176","0.0006","8.9755","0.0006","17.909","0.001","90","","93.636","0.005","90","","1173.88","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1α,4α,4aβ,9β,9aβ,10β-hexahydro-9,10-Epithioanthracene-1,4-diol","","- C14 H14 O2 S -","- C14 H14 O2 S -","- C56 H56 O8 S4 -","4","1","QA0104","Bats, Jan W.; Krämer, Norbert H.; Linde, Hermann F.G.","1α,4α,4aβ,9β,10β,10aβ-Hexahydro-9,10-epithioanthracene-1,4-diol","Acta Crystallographica Section C","1999","55","4","IUC9900027","","10.1107/S0108270199099588","","","1.5418","CuKα","","0.034","0.034","","","","0.137","","","","","","2.148","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008407","11.9597","0.0001","18.3546","0.0003","15.0141","0.0003","90","","100.772","0.001","90","","3237.75","0.09","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Nitrito-O,O')bis(triphenylphosphine-P)silver(I)","","- C36 H30 Ag N O2 P2 -","- C36 H30 Ag N O2 P2 -","- C144 H120 Ag4 N4 O8 P8 -","4","1","QA0105","Hanna, John V.; Ng, Seik Weng","(Nitrito-<i>O</i>,<i>O</i>')bis(triphenylphosphine-<i>P</i>)silver(I)","Acta Crystallographica Section C","1999","55","4","IUC9900029","","10.1107/S0108270199099680","","","0.71073","MoKα","","0.087","0.046","","","","0.092","","","","","","1.024","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008408","8.6226","0.0016","8.6226","0.0016","21.73","0.005","90","","90","","90","","1615.6","0.6","125","2","125","2","","","","","","","","2","I 41/a :2","-I 4ad","88","","perfluoro-benzocyclobutene","","- C8 F8 -","- C8 F8 -","- C64 F64 -","8","0.5","QA0106","Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","2,3,4,5,7,7,8,8,-Octafluorobicyclo[4.2.0]octa-1,3,5-triene at 125K","Acta Crystallographica Section C","1999","55","4","IUC9900036","","10.1107/S0108270199099606","","","0.71073","MoKα","","0.074","0.063","","","","0.2","","","","","","1.075","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008409","9.985","0.002","14.839","0.003","12.744","0.003","90","","108.81","0.01","90","","1787.4","0.7","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","QA0107","Elazami, Mohamed; Bitit, Najib; Kerbal, Abdelali; Fahim, Mohamed; El-Bali, Brahim; Bolte, Michael","Diethyl 2-anthracen-9-ylmethylenemalonate","Acta Crystallographica Section C","1999","55","4","IUC9900037","","10.1107/S0108270199099643","","","0.71073","MoKα","","0.112","0.054","","","","0.119","","","","","","1.017","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008410","10.195","0.0001","10.2164","0.0001","19.3172","0.0001","75.501","0.001","74.862","0.001","64.474","0.001","1730.53","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H30 N4 O3 W -","- C41 H30 N4 O3 W -","- C82 H60 N8 O6 W2 -","2","1","QB0073","Abboud, Khalil A.; He, Yingxia; McElwee-White, Lisa","Tricarbonylbis(1,2,3-triphenyl-1,3-diazaallyl)tungsten(IV)","Acta Crystallographica Section C","1999","55","4","IUC9900032","","10.1107/S0108270199099679","","","0.71073","MoKα","","0.033","0.027","","","0.058","0.061","","","","","","1.008","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008411","10.077","0.004","13.231","0.003","17.167","0.004","98.14","0.02","106.12","0.03","111.12","0.03","1975.2","1.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","2,4-Di(triphenylphosphino)-closo-decaborane-Dichloromethane (1/1)","","- C37 H40 B10 Cl2 P2 -","- C37 H40 B10 Cl2 P2 -","- C74 H80 B20 Cl4 P4 -","2","1","QB0074","Yao, Hai-Jun; Hu, Chun-Hua; Dou, Jian-Min; Jin, Ruo-Shui; Zheng, Pei-Ju","2,4-Bis(triphenylphosphino)-<i>closo</i>-decaborane‒dichloromethane (1/1)","Acta Crystallographica Section C","1999","55","4","IUC9900033","","10.1107/S0108270199099576","","","0.71073","MoKα","","","0.057","","","","0.198","","","","","","1.046","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008412","5.493","0.002","10.104","0.002","16.288","0.004","97.26","0.02","93.4","0.02","92.6","0.03","893.9","0.4","173","2","","","","","","","","","","5","P -1","-P 1","2","Iodoproxyfan","3-(1H-imidazol-4-yl)propyl (4-iodophenyl)methyl ether hydrogen maleate","","- C17 H19 I N2 O5 -","- C17 H19 I N2 O5 -","- C34 H38 I2 N4 O10 -","2","1","QB0075","Kovalainen, Jari T.; Wegelius, Elina; Christiaans, Johannes A. M.; Huuskonen, Juhani; Gynther, Jukka","4-[3-(4-Iodophenylmethoxy)propyl]-1<i>H</i>-imidazolium hydrogen maleate (iodoproxyfan hydrogen maleate)","Acta Crystallographica Section C","1999","55","4","IUC9900035","","10.1107/S0108270199099564","","","0.71073","MoKα","","0.022","0.021","","","","0.057","","","","","","1.184","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008413","12.889","0.003","25.096","0.005","16.189","0.003","90","","94.812","0.015","90","","5218.1","1.9","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Bi2 H88 Na6 Ni2 O112 W20 -","- Bi2 Na5.998 Ni1.62 O105 W20.38 -","- Bi4 Na11.996 Ni3.24 O210 W40.76 -","2","0.5","QB0077","Rosu, Cristina; Weakley, Timothy J.R.","Hexasodium tetrahydrogen bis(triaquanickelo)icosatungstodibismuthate(III)(10 ‒) 36-hydrate","Acta Crystallographica Section C","1999","55","4","IUC9900034","","10.1107/S0108270199099710","","","0.71073","MoKα","","0.117","0.052","","0.056","","0.05","","","1.35","","","1.5","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008414","9.364","0.0019","15.401","0.003","9.871","0.002","90","","112.38","0.03","90","","1316.3","0.5","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl2 P2 Pd -","- C26 H26 Cl2 P2 Pd -","- C52 H52 Cl4 P4 Pd2 -","2","0.5","QB0079","Guzman-Jimenez, Ilse Y.; Whitmire, Kenton H.","<i>trans</i>-Dichlorobis(methyldiphenylphosphine-<i>P</i>)palladium(II)","Acta Crystallographica Section C","1999","55","4","IUC9900028","","10.1107/S0108270199099709","","","0.71073","MoKα","","0.052","0.035","","","","0.098","","","","","","1.092","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008415","7.361","0.003","16.269","0.004","9.622","0.003","90","","97.6","0.03","90","","1142.2","0.7","299","","299","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","N,N'-bis(2-hydroxybenzyl)-1,2-diphenylethylenediamine","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C56 H56 N4 O4 -","2","0.5","QB0084","Hoshina, Gakuse; Ohba, Shigeru; Tsuchimoto, Masanobu","(<i>RS</i>,<i>SR</i>)-<i>N</i>,<i>N</i>'-Bis(2-hydroxybenzyl)-1,2-diphenylethylenediamine","Acta Crystallographica Section C","1999","55","4","IUC9900030","","10.1107/S0108270199099552","","","0.71073","MoKα","","0.125","0.066","","","","0.201","","","","","","1.048","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008416","10.9185","0.0011","28.281","0.004","8.638","0.0007","90","","90","","90","","2667.3","0.5","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","L-menthyl (-)-3-methoxy-13-methyl-14-ethyl-11,12,13(S)14(R)- tetrahydrophenanthrene 13-carboxylate IUPAC: L-menthyl (-)-(1R,2S)-1-ethyl-7-methoxy-2-methyl- 1,2,3,4-tetrahydrophenanthrene-2-carboxylate","","- C29 H40 O3 -","- C29 H40 O3 -","- C116 H160 O12 -","4","1","QB0088","Robinson, Paul D.; Hou, Yuqing; Meyers, Cal Y.; Adler, Stuart; Banz, William J.; Winters, Todd A.","<small>L</small>-Menthyl ester of highly estrogenic (–)-(<i>Z</i>)-bisdehydrodoisynolic acid 3-methyl ether","Acta Crystallographica Section C","1999","55","4","IUC9900020","","10.1107/S0108270199099540","","","0.71069","MoKα","","0.186","0.034","","","","0.121","","","","","","0.958","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008417","9.285","0.001","11.86","0.003","12.53","0.002","90","","102.94","0.01","90","","1344.8","0.4","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,5-di-tert-butyl-1,2-benzoquinone","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","SK1163","Horng, Den-Nan; Chyn, Jong-Pyng; Shieh, Kuan-Jiunn; Chou, Jeh-Li; Wen, Yuh-Sheng","3,5-Di-<i>tert</i>-butyl-1,2-benzoquinone","Acta Crystallographica Section C","1999","55","4","652","653","10.1107/S010827019801436X","","","0.71073","MolybdenumKα","","0.081","0.044","","0.056","0.052","","","","","1.9","1.9","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008418","7.328","0.008","8.729","0.009","11.513","0.011","95.83","0.07","107.27","0.08","97.34","0.07","689.9","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl 1,4,5,6-tetrahydro-2-methyl-4-(2-nitrophenyl)-6-oxo-pyridine-3- carboxylate","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C28 H28 N4 O10 -","2","1","SK1228","Viktor Kettmann; Ján Svetlík","Methyl 1,4,5,6-tetrahydro-2-methyl-4-(2-nitrophenyl)-6-oxopyridine-3-carboxylate","Acta Crystallographica Section C","1999","55","4","661","663","10.1107/S0108270198015029","","","0.71073","MoKα","","0.104","0.06","","0.165","0.123","","","","1.041","1.182","1.182","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008419","4.8912","0.0006","11.6238","0.0012","5.6581","0.0003","90","","91.279","0.006","90","","321.61","0.05","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,2-Ethylenebis(phosphonic acid)","","","- C2 H8 O4 P2 -","- C2 H8 O4 P2 -","- C4 H16 O8 P4 -","2","0.5","SK1229","Joachim Bruckmann; Carl Krüger; Christian W. Lehmann; Walter Leitner; Jörg Rust; Christian Six","Ethylenebis(phosphonic acid)","Acta Crystallographica Section C","1999","55","4","695","696","10.1107/S0108270198016448","","","0.71069","MoKα","","0.041","0.038","","","0.115","0.118","","","","","","1.286","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008420","6.893","0.004","18.222","0.008","6.981","0.003","90","","108.05","0.05","90","","833.7","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-oxa-3,17-dioxoandrostane-5α-carbaldehyde","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","SK1231","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3,17-Dioxo-4-oxaandrostane-5α-carbaldehyde","Acta Crystallographica Section C","1999","55","4","637","639","10.1107/S0108270198015728","","","0.71073","MoKα","","0.0728","0.0403","","","","0.1128","","","","","","1.056","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008421","9.115","0.002","14.226","0.002","20.224","0.004","90","","93.532","0.009","90","","2617.5","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Coumarin-3-carboxylato)triphenyltin^.^ethanol","","- C30 H26 O5 Sn -","- C30 H26 O5 Sn -","- C120 H104 O20 Sn4 -","4","1","SK1234","Ng, Seik Weng","Coordination complexes of triphenyltin coumarin-3-carboxylate with <i>O</i>-donor ligands: (coumarin-3-carboxylato)triphenyltin‒<i>L</i> (<i>L</i> = ethanol, diphenylcyclopropenone and quinoline <i>N</i>-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒<i>L</i> (<i>L</i> = triphenylphosphine oxide and triphenylarsine oxide)","Acta Crystallographica Section C","1999","55","4","523","531","10.1107/S0108270198014991","","","0.71073","MoKα","","0.096","0.052","","","","0.118","","","","","","0.992","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008422","12.712","0.002","19.402","0.002","14.456","0.003","90","","97.242","0.009","90","","3537","1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Coumarin-3-carboxylato)triphenyltin^.^1,2-diphenylcyclopropenone","","- C43 H30 O5 Sn -","- C43 H30 O5 Sn -","- C172 H120 O20 Sn4 -","4","1","SK1234","Ng, Seik Weng","Coordination complexes of triphenyltin coumarin-3-carboxylate with <i>O</i>-donor ligands: (coumarin-3-carboxylato)triphenyltin‒<i>L</i> (<i>L</i> = ethanol, diphenylcyclopropenone and quinoline <i>N</i>-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒<i>L</i> (<i>L</i> = triphenylphosphine oxide and triphenylarsine oxide)","Acta Crystallographica Section C","1999","55","4","523","531","10.1107/S0108270198014991","","","0.71073","MoKα","","0.126","0.059","","","","0.126","","","","","","0.989","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008423","10.4099","0.0003","11.52","0.001","13.725","0.002","111.754","0.008","95.758","0.007","98.695","0.005","1489.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(Coumarin-3-carboxylato)triphenyltin^.^quinoline N-oxide","","- C37 H27 N O5 Sn -","- C37 H27 N O5 Sn -","- C74 H54 N2 O10 Sn2 -","2","1","SK1234","Ng, Seik Weng","Coordination complexes of triphenyltin coumarin-3-carboxylate with <i>O</i>-donor ligands: (coumarin-3-carboxylato)triphenyltin‒<i>L</i> (<i>L</i> = ethanol, diphenylcyclopropenone and quinoline <i>N</i>-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒<i>L</i> (<i>L</i> = triphenylphosphine oxide and triphenylarsine oxide)","Acta Crystallographica Section C","1999","55","4","523","531","10.1107/S0108270198014991","","","0.71073","MoKα","","0.041","0.032","","","","0.08","","","","","","1.013","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008424","9.4696","0.0006","16.164","0.002","20.816","0.002","79.329","0.008","81.946","0.007","80.861","0.007","3071.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis[(coumarin-3-carboxylato)triphenyltin]^.^triphenylphosphine oxide","","- C74 H55 O9 P Sn2 -","- C74 H55 O9 P Sn2 -","- C148 H110 O18 P2 Sn4 -","2","1","SK1234","Ng, Seik Weng","Coordination complexes of triphenyltin coumarin-3-carboxylate with <i>O</i>-donor ligands: (coumarin-3-carboxylato)triphenyltin‒<i>L</i> (<i>L</i> = ethanol, diphenylcyclopropenone and quinoline <i>N</i>-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒<i>L</i> (<i>L</i> = triphenylphosphine oxide and triphenylarsine oxide)","Acta Crystallographica Section C","1999","55","4","523","531","10.1107/S0108270198014991","","","0.71073","MoKα","","0.066","0.047","","","","0.102","","","","","","1.069","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008425","9.5242","0.0004","16.219","0.002","20.807","0.002","79.501","0.009","81.793","0.007","80.523","0.006","3096","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis[(coumarin-3-carboxylato)triphenyltin]^.^triphenylarsine oxide","","- C74 H55 As O9 Sn2 -","- C74 H55 As O9 Sn2 -","- C148 H110 As2 O18 Sn4 -","2","1","SK1234","Ng, Seik Weng","Coordination complexes of triphenyltin coumarin-3-carboxylate with <i>O</i>-donor ligands: (coumarin-3-carboxylato)triphenyltin‒<i>L</i> (<i>L</i> = ethanol, diphenylcyclopropenone and quinoline <i>N</i>-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒<i>L</i> (<i>L</i> = triphenylphosphine oxide and triphenylarsine oxide)","Acta Crystallographica Section C","1999","55","4","523","531","10.1107/S0108270198014991","","","0.71073","MoKα","","0.058","0.041","","","","0.093","","","","","","1.085","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008426","8.3216","0.0016","12.392","0.003","15.949","0.002","83.58","0.02","79.634","0.016","72.99","0.015","1544","0.5","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","1,1'-Bis(3-phenylquinoxalin-2-yl)ferrocene dichloromethane solvate","","- C38.9 H27.8 Cl1.8 Fe N4 -","- C38.898 H27.796 Cl1.796 Fe N4 -","- C77.796 H55.592 Cl3.592 Fe2 N8 -","2","1","SK1238","Ahmed, S. Zaka,; Glidewell, Christopher; Ferguson, George","1,1'-Bis(3-phenylquinoxalin-2-yl)ferrocene dichloromethane solvate","Acta Crystallographica Section C","1999","55","4","503","506","10.1107/S010827019801186X","","","0.71073","MoKα","","0.145","0.067","","","","0.144","","","","","","0.852","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008427","8.5966","0.0007","11.4966","0.0014","12.4867","0.0011","70.432","0.008","77.619","0.007","85.302","0.009","1135.7","0.2","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N4 O6 Zn -","- C26 H18 N4 O6 Zn -","- C52 H36 N8 O12 Zn2 -","2","1","SK1243","Tatar, Leyla; Ülkü, Dinçer; Atakol, Orhan","Zinc(II) complexes of bidentate Schiff base ligands containing methoxyphenyl and nitrophenyl groups","Acta Crystallographica Section C","1999","55","4","508","510","10.1107/S0108270198015406","","","0.71073","MoKα","","","0.0412","","","0.0517","","","","","1.01","1.01","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008428","9.0778","0.0011","11.4052","0.0013","12.0973","0.0012","84.898","0.002","87.619","0.003","71.594","0.002","1183.6","0.2","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N2 O4 Zn -","- C28 H24 N2 O4 Zn -","- C56 H48 N4 O8 Zn2 -","2","1","SK1243","Tatar, Leyla; Ülkü, Dinçer; Atakol, Orhan","Zinc(II) complexes of bidentate Schiff base ligands containing methoxyphenyl and nitrophenyl groups","Acta Crystallographica Section C","1999","55","4","508","510","10.1107/S0108270198015406","","","0.71073","MoKα","","","0.0279","","","0.0371","","","","","1.01","1.01","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008429","6.9446","0.0006","9.8415","0.0007","17.0921","0.0013","94.102","0.006","94.906","0.006","100.05","0.006","1141.57","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[diaqua(pyridine-2-carboxamide-N^1^,O)-copper(II)-μ-sulfato-O,O'] monohydrate","","- C6 H12 Cu N2 O8 S -","- C6 H12 Cu N2 O8 S -","- C24 H48 Cu4 N8 O32 S4 -","4","2","SK1250","Sieroń, Lesław; Bukowska-Strzyżewska, Maria","<i>catena</i>-Poly[[[diaqua(pyridine-2-carboxamide-<i>N</i>^1^,<i>O</i>)copper(II)]-μ-(sulfato-<i>O</i>:<i>O</i>')] monohydrate]","Acta Crystallographica Section C","1999","55","4","491","494","10.1107/S0108270198015340","","","0.71073","MoKα","","0.027","0.024","","","","0.066","","","","","","1.034","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008430","11.0232","0.0002","15.1645","0.0002","24.2826","0.0001","90","","90","","90","","4059.11","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H28 N2 S4 -","- C14 H28 N2 S4 -","- C112 H224 N16 S32 -","8","1","","Fangfang Jian; Lijian Jiang; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Xiaozeng You","Bis(dipropylthiocarbamoyl) disulfide","Acta Crystallographica Section C","1999","55","","574","576","","","","","","","","","","","","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008431","16.169","0.002","7.6796","0.0009","14.153","0.002","90","","90","","90","","1757.4","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","tris(ethylenediamine)-nickel(II)tetrathiomolybdate","","","- C6 H24 Mo N6 Ni S4 -","- C6 H24 Mo N6 Ni S4 -","- C24 H96 Mo4 N24 Ni4 S16 -","4","1","SK1258","Ellermeier, Jan; Näther, Christian; Bensch, Wolfgang","Tris(ethylenediamine-<i>N</i>,<i>N</i>')nickel(II) tetrathiomolybdate","Acta Crystallographica Section C","1999","55","4","501","503","10.1107/S0108270198016461","","","0.71073","MoKα","","0.039","0.021","","0.05","0.046","","","","1.01","1.044","1.044","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:32",""
"2008432","12.189","0.006","6.64","0.003","12.393","0.005","90","","105.36","0.02","90","","967.2","0.8","301","","301","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H13 K O7 -","- C3 H13 K O7 -","- C12 H52 K4 O28 -","4","1","SX1073","Allen W. Apblett; Elizabeth M. Holt","Potassium methoxyacetate tetrahydrate","Acta Crystallographica Section C","1999","55","4","539","541","10.1107/S0108270198014395","","","0.71073","MoKα","","","0.049","","","","0.072","","","","","","1.42","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008433","7.513","0.001","12.74","0.002","8.68","0.001","90","","95.67","0.02","90","","826.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Patassium (μ-oxo) [(oxalato)-oxomolybdate] monohydrate","","- C2 H2 K2 Mo O8 -","- C2 K2 Mo O8 -","- C8 K8 Mo4 O32 -","4","1","TA1220","Xing, Yong-Heng; Wang, Zuo; Xu, Ji-Qing; Li, Dong-Mei; Wang, Ren-Zhang; Bu, Wei-Ming; Ye, Ling; Xing Yan; Yong-Hua Lin; Heng-Qing Jia","K~2~[MoO~3~(C~2~O~4~)]^.^H~2~O","Acta Crystallographica Section C","1999","55","4","521","523","10.1107/S0108270198014851","","","0.71073","MoKα","","0.0378","0.0358","","0.1049","0.1034","","","","1.099","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008434","19.3111","0.0012","7.5851","0.0004","15.514","0.0008","90","","90","","90","","2272.4","0.2","298","","298","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- H4 Mo4 O15 Sr -","- H4 Mo4 O15 Sr -","- H32 Mo32 O120 Sr8 -","8","1","TA1224","Harrison, William T. A.","Strontium tetramolybdate dihydrate, SrMo~4~O~13~^.^2H~2~O","Acta Crystallographica Section C","1999","55","4","485","487","10.1107/S0108270198013602","","","0.71073","MoKα","","","0.031","","","0.022","","","","","1.049","1.049","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008435","14.671","0.004","15.135","0.002","9.328","0.002","90","","90","","90","","2071.2","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4,5-dihydro-1,2,4-oxadiazole","Methyl (2S)-2-[(5R)-diphenyl-4,5-dihydro-1,2,4-oxadiazol-4-yl]-3-phenylpropanoate","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C96 H88 N8 O12 -","4","1","TA1227","Xu, Jiaxi; Li, Xiaoyu; Wang, Zhemin; Yang, Qingchuan; Yan, Chunhua","Methyl (2<i>S</i>)-2-[(5<i>R</i>)-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazol-4-yl]-3-phenylpropanoate","Acta Crystallographica Section C","1999","55","4","650","652","10.1107/S0108270198015492","","","0.71073","MoKα","","0.0762","0.0549","","","","0.1228","","","","","","1.096","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008436","7.359","0.003","7.873","0.003","16.098","0.004","90","0.01","96","0.02","90","0.01","927.6","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2'-Tosyl adenosine","","- C17 H19 N5 O6 S -","- C17 H19 N5 O6 S -","- C34 H38 N10 O12 S2 -","2","1","VJ1090","D. Prahadeeswaran; T. P. Seshadri","2'-<i>O</i>-Tosyladenosine","Acta Crystallographica Section C","1999","55","4","606","608","10.1107/S0108270198015236","","","1.5418","CuKα","","0.0573","0.0565","","0.1371","0.1356","","","","1.086","1.091","1.091","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008437","9.412","0.002","6.914","0.001","14.667","0.002","90","0.01","102.89","0.02","90","0.02","930.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N^6^Anisoyl Adenosine Monohydrate","","- C18 H21 N5 O7 -","- C18 H21 N5 O7 -","- C36 H42 N10 O14 -","2","1","VJ1092","S. Kolappan; T. P. Seshadri","<i>N</i>^6^-Anisoyladenosine monohydrate","Acta Crystallographica Section C","1999","55","4","603","604","10.1107/S0108270198015248","","","1.5418","CuKα","","0.0371","0.0356","","0.1048","0.1021","","","","1.013","1.009","1.009","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008438","14.202","0.002","5.737","0.003","33.319","0.005","90","0.02","92.93","0.02","90","0.03","2711.2","1.5","293","2","293","2","","","","","","","","4","P 1 2 1","P 2y","3","","N^3^,2',3'-Tri-O-Benzoyluridine","","- C30 H24 N2 O9 -","- C30 H24 N2 O9 -","- C120 H96 N8 O36 -","4","2","VJ1093","S. Kolappan; T. P. Seshadri","<i>N</i>^3^-Benzoyl-2',3'-di-<i>O</i>-benzoyluridine","Acta Crystallographica Section C","1999","55","4","604","606","10.1107/S0108270198015224","","","1.5418","CuKα","","0.0632","0.0407","","0.157","0.1174","","","","1.03","1.055","1.055","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008439","9.2989","0.0007","14.057","0.001","3.6066","0.0003","90","","90","","90","","471.44","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-NRTZ","4-nitramino-1,2,4-triazole","","- C2 H3 N5 O2 -","- C2 H3 N5 O2 -","- C8 H12 N20 O8 -","4","1","AV1027","Vasiliev, Alexander D.; Astachov, Alexander M.; Stepanov, Rudolf S.; Kirik, Sergei D.","4-Nitramino-1,2,4-triazole","Acta Crystallographica Section C","1999","55","5","830","832","10.1107/S0108270199002243","","","1.5418","CuKα","","0.028","0.027","","","","0.073","","","","","","1.096","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008440","20.652","0.002","8.8934","0.0006","7.5917","0.0005","90","","90","","90","","1394.34","0.19","297","","273","","","","","","","","","5","A b a 2","A 2 -2ab","41","cadmium isopropylxanthate","cadmium(II) bis-(O-isopropyldithiocarbonate)","","- C8 H14 Cd O2 S4 -","- C8 H14 Cd0.5 O2 S4 -","- C32 H56 Cd2 O8 S16 -","4","","BK1413","Tomlin, David W.; Cooper, Thomas M.; Zelmon, David E.; Gebeyehu, Zewdu; Hughes, John M.","Cadmium isopropylxanthate","Acta Crystallographica Section C","1999","55","5","717","719","10.1107/S010827019801823X","","","0.7107","MoKα","","0.025","0.025","","","0.034","","","","1.27","1.27","1.27","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008441","13.2852","0.0004","11.4419","0.0003","13.5434","0.0004","90","","98.438","0.002","90","","2036.42","0.1","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C88 H116 N4 O16 -","4","1","BK1450","Thuéry, Pierre; Nierlich, Martine; Wang, Zhen-He; Hirose, Takuji","Imide and tribenzyl ester derivatives of Kemp's triacid","Acta Crystallographica Section C","1999","55","5","808","811","10.1107/S0108270198018241","","","0.71073","MoKα","","0.068","0.047","","0.123","0.105","","","","1.066","1.073","1.073","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008442","9.1757","0.0004","13.1247","0.0006","18.6567","0.0009","90","","97.412","0.003","90","","2228.02","0.18","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H33 N O5 -","- C23 H33 N O5 -","- C92 H132 N4 O20 -","4","1","BK1450","Thuéry, Pierre; Nierlich, Martine; Wang, Zhen-He; Hirose, Takuji","Imide and tribenzyl ester derivatives of Kemp's triacid","Acta Crystallographica Section C","1999","55","5","808","811","10.1107/S0108270198018241","","","0.71073","MoKα","","0.097","0.059","","0.162","0.125","","","","1.083","1.064","1.064","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008443","14.5445","0.0005","9.668","0.0002","19.8101","0.0007","90","","90.186","0.001","90","","2785.61","0.15","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 O6 -","- C33 H36 O6 -","- C132 H144 O24 -","4","1","BK1450","Thuéry, Pierre; Nierlich, Martine; Wang, Zhen-He; Hirose, Takuji","Imide and tribenzyl ester derivatives of Kemp's triacid","Acta Crystallographica Section C","1999","55","5","808","811","10.1107/S0108270198018241","","","0.71073","MoKα","","0.063","0.044","","0.115","0.099","","","","1.032","1.046","1.046","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008444","7.669","0.005","12.402","0.008","27.204","0.007","90","","90","","90","","2587","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C128 H112 O32 -","8","1","BM1292","K. Rajalakshmi; Niveta Jain; S. Deepthi; H.G. Krishnamurthy; Vasantha Pattabhi","7-Hydroxy-4-(4-methoxyphenyl)-3,4-dihydrocoumarin","Acta Crystallographica Section C","1999","55","5","813","815","10.1107/S0108270198016072","","","1.5418","CuKα","","0.0749","0.0699","","0.2033","0.1918","","","","1.077","1.114","1.114","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008445","7.3239","0.0014","9.8199","0.0014","13.738","0.003","90","","90","","90","","988","0.3","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,2,4-Triazolium Di(methanesulfonyl)amidate","","- C4 H10 N4 O4 S2 -","- C4 H10 N4 O4 S2 -","- C16 H40 N16 O16 S8 -","4","1","BM1307","Moers, Oliver; Wijaya, Karna; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CIX. 1,2,4-Triazolium di(methanesulfonyl)amidate","Acta Crystallographica Section C","1999","55","5","754","756","10.1107/S0108270199000426","","","0.71073","MoKα","","0.0204","0.0199","","","","0.0549","","","","","","1.068","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008446","7.4177","0.0008","21.393","0.002","9.2734","0.001","90","","101.766","0.008","90","","1440.6","0.3","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","4-(2'-furyl)[2.2]paracyclophane","","- C20 H18 O -","- C20 H18 O -","- C80 H72 O4 -","4","1","BM1314","Dix, Ina; Hopf, Henning; Jones, Peter G.","Heterocycle-substituted [2.2]paracyclophanes","Acta Crystallographica Section C","1999","55","5","756","759","10.1107/S0108270199001808","","","0.71073","MoKα","","0.0536","0.0478","","","","0.1254","","","","","","1.062","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008447","16.85","0.002","7.6203","0.001","11.574","0.002","90","","95.523","0.011","90","","1479.2","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(2'-thienyl)[2.2]paracyclophane","","- C20 H18 S -","- C20 H18 S -","- C80 H72 S4 -","4","1","BM1314","Dix, Ina; Hopf, Henning; Jones, Peter G.","Heterocycle-substituted [2.2]paracyclophanes","Acta Crystallographica Section C","1999","55","5","756","759","10.1107/S0108270199001808","","","0.71073","MoKα","","0.0708","0.0378","","","","0.0841","","","","","","0.862","","","","has coordinates,has disorder","301791","2025-08-18","23:15:32",""
"2008448","8.958","0.005","13.258","0.007","14.769","0.008","71.61","0.05","88.37","0.04","70.53","0.04","1563.5","1.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","5,9,14,18-N-(2,3,6,8,11,12,15,17-octamethyl-5,9,14,18- tetraazadibenzo-[a,h]-tetraazacyclotetradecene)- dichlorozirconium(IV) tetrahydrofuran solvate(1/0.5)","","- C28 H34 Cl2 N4 O0.5 Zr -","- C28 H34 Cl2 N4 O0.5 Zr -","- C56 H68 Cl4 N8 O Zr2 -","2","1","CF1287","Corden, Jonathan P; Errington, William; Moore, Peter; Wallbridge, Malcolm G H","Dichloro(2,3,6,8,11,12,15,17-octamethyl-5,9,14,18-tetraazadibenzo[<i>a</i>,<i>h</i>]cyclotetradecene-κ^4^<i>N</i>)zirconium(IV) tetrahydrofuran hemisolvate","Acta Crystallographica Section C","1999","55","5","706","707","10.1107/S0108270198018010","","","0.71073","MoKα","","0.123","0.051","","","","0.117","","","","","","0.709","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2008449","16.234","0.003","11.017","0.002","7.1954","0.0014","90","","93.15","0.03","90","","1285","0.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(3-pyridyl)4-p-tolyl-1,2,4-oxadiazoline-5-thione","","- C14 H11 N3 O S -","- C14 H11 N3 O S -","- C56 H44 N12 O4 S4 -","4","1","DA1041","Billodeaux, Damon R.; Fronczek, Frank R.; Dürüşt, Yas̨ar","Two novel 3,4-disubstituted 1,2,4-oxadiazole-5(4<i>H</i>)-thiones","Acta Crystallographica Section C","1999","55","5","761","764","10.1107/S0108270199000475","","","1.54184","CuKα","","0.091","0.07","","0.201","0.169","","","","1.069","1.088","1.088","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008450","7.728","0.001","8.826","0.002","9.3699","0.0009","112.89","0.01","112.029","0.009","94.84","0.01","525.57","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","3-(2-pyridyl)-4-n-propyl-1,2,4-oxadiazoline-5-thione","","- C10 H11 N3 O S -","- C10 H11 N3 O S -","- C20 H22 N6 O2 S2 -","2","1","DA1041","Billodeaux, Damon R.; Fronczek, Frank R.; Dürüşt, Yas̨ar","Two novel 3,4-disubstituted 1,2,4-oxadiazole-5(4<i>H</i>)-thiones","Acta Crystallographica Section C","1999","55","5","761","764","10.1107/S0108270199000475","","","0.71073","MoKα","","0.05","0.044","","0.058","0.058","","","","","1.955","1.955","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008451","12.105","0.003","12.105","0.003","5.776","0.003","90","","90","","90","","846.4","0.5","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","2-amino-4-phenylthiazole","","- C9 H8 N2 S -","- C9 H8 N2 S -","- C36 H32 N8 S4 -","4","1","DA1045","Au-Alvarez, Oscar; Peterson, Ronald C.; Crespo, Alexis Acosta; Esteva, Yolanda Rodríguez; Alvarez, Heidy Marquez; Stiven, Ana M. Plutín; Hernández, Ramón Pomés","2-Amino-4-phenylthiazole","Acta Crystallographica Section C","1999","55","5","821","823","10.1107/S0108270199001961","","","0.71073","MoKα","","0.066","0.042","","","","0.105","","","","","","1.072","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008452","10.068","0.003","10.068","0.003","16.728","0.006","90","","90","","120","","1468.5","0.8","293","2","293","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C24 H27 Cl2 Mn N7 O8 -","- C24 H27 Cl2 Mn N7 O8 -","- C48 H54 Cl4 Mn2 N14 O16 -","2","0.333333","DA1054","Qian, Ming; Gou, Shao-Hua; He, Ling; Zhou, Yu-Ming; Duan, Chun-Ying","[Tris(2-pyridyl-κ<i>N</i>-methyleneamino-κ<i>N</i>-ethyl)amine-κ<i>N</i>]manganese(II) diperchlorate","Acta Crystallographica Section C","1999","55","5","742","744","10.1107/S0108270198017624","","","0.71073","MoKα","","0.0844","0.0516","","0.1267","0.1165","","","","1.052","1.244","1.244","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008453","7.1325","0.0006","9.7959","0.0008","12.3235","0.0008","74.082","0.006","81.086","0.006","86.242","0.007","817.78","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl2 O Ti -","- C18 H14 Cl2 O Ti -","- C36 H28 Cl4 O2 Ti2 -","2","1","FG1495","Bu, Weiming; Wang, Jianhui; Ye, Ling; Mu, Ying; Yang, Guangdi; Fan, Yuguo","Dichloro{2-[(η^5^-cyclopentadienyl)phenylmethyl]phenolato-<i>O</i>}titanium","Acta Crystallographica Section C","1999","55","5","728","730","10.1107/S0108270198015479","","","0.71073","MoKα","","0.0562","0.0421","","0.0707","0.0615","","","","1.105","1.189","1.189","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008454","11.5121","0.0003","8.5186","0.0003","20.4454","0.0007","90","","100.768","0.002","90","","1969.71","0.11","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dibenzo[b,f]azepin-2-one","","- C14 H9 N O -","- C14 H9 N O -","- C112 H72 N8 O8 -","8","1","FG1517","Ruane, Patrick H.; McClelland, Robert A.; Lough, Alan J.","2<i>H</i>-Dibenzo[<i>b</i>,<i>f</i>]azepin-2-one","Acta Crystallographica Section C","1999","55","5","819","821","10.1107/S0108270198016357","","","0.71073","MoKα","","0.046","0.038","","","","0.099","","","","","","1.035","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008455","10.2782","0.0001","11.4269","0.0002","13.5079","0.0002","96.11","0.01","99.224","0.001","113.462","0.001","1410.87","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","6,11-Dihydroxy-1,4-methano-1,4,4a-tetrahydronaphthacene-5,12-dione","","- C19 H14 O4 -","- C19 H14 O4 -","- C76 H56 O16 -","4","2","FR1163","Kandasamy Chinnakali; Hoong-Kun Fun; Dipakranjan Mal; Sujit Kumar Ghorai; Nirmal Kumar Hazra; Gur Dayal Nigam","6,11-Dihydroxy-1,4-methano-1,4,4a,12a-tetrahydronaphthacene-5,12-dione","Acta Crystallographica Section C","1999","55","5","776","778","10.1107/S0108270199000657","","","0.71073","MoKα","","0.1033","0.0609","","","","0.1499","","","","","","1.079","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008456","9.063","0.001","16.543","0.002","8.46","0.001","90","","83.11","0.01","90","","1259.2","0.3","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cl F N2 O2 -","- C13 H10 Cl F N2 O2 -","- C52 H40 Cl4 F4 N8 O8 -","4","1","FR1168","Candan, M. Murat; Kendi, Engin; Göker, Hakan","4-Chloro-<i>N</i>-(<i>p</i>-fluorobenzyl)-2-nitroaniline","Acta Crystallographica Section C","1999","55","5","825","827","10.1107/S0108270199001456","","","0.71069","MoKα","","","0.039","","","0.046","","","","","0.97","0.97","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008457","13.887","0.001","7.162","0.001","32.124","0.003","90","","90","","90","","3195","0.6","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-[3-(tosyloxy)-propoxy]benzaldehyde","","- C17 H18 O5 S -","- C17 H18 O5 S -","- C136 H144 O40 S8 -","8","2","FR1170","Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A.","Capped-porphyrin precursors","Acta Crystallographica Section C","1999","55","5","801","806","10.1107/S0108270198018034","","","0.71073","MoKα","","0.089","0.049","","","","0.11","","","","","","0.91","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008458","8.532","0.001","9.576","0.001","9.953","0.001","76.679","0.001","84.054","0.001","70.29","0.001","744.65","0.14","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2-[3-(Tosyloxy)ethoxy]benzaldehyde","","- C16 H16 O5 S -","- C16 H16 O5 S -","- C32 H32 O10 S2 -","2","1","FR1170","Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A.","Capped-porphyrin precursors","Acta Crystallographica Section C","1999","55","5","801","806","10.1107/S0108270198018034","","","0.71073","MoKα","","0.055","0.041","","","","0.11","","","","","","1.41","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008459","14.415","0.001","6.693","0.001","31.692","0.002","90","","90","","90","","3057.6","0.5","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-[3-(Tosyloxy)-ethoxy]benzaldehyde hemihydrate","","- C16 H17 O5.5 S -","- C16 H17 O5.5 S -","- C128 H136 O44 S8 -","8","1","FR1170","Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A.","Capped-porphyrin precursors","Acta Crystallographica Section C","1999","55","5","801","806","10.1107/S0108270198018034","","","0.71073","MoKα","","0.07","0.043","","","","0.097","","","","","","1.13","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008460","7.685","0.001","9.042","0.001","32.071","0.003","90","","93.46","0.01","90","","2224.5","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,4,5-Tetrakis{3-[2-(1,3-dioxolan-2-yl)phenoxy]propoxy}-benzene","","- C50 H54 O16 -","- C50 H54 O16 -","- C100 H108 O32 -","2","0.5","FR1170","Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A.","Capped-porphyrin precursors","Acta Crystallographica Section C","1999","55","5","801","806","10.1107/S0108270198018034","","","0.71073","MoKα","","0.089","0.042","","","","0.092","","","","","","0.88","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008461","12.148","0.002","24.682","0.002","8.021","0.002","90","","90","","90","","2405","0.7","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","3-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylbenzoic acid","","","- C13 H16 O4 -","- C13 H16 O4 -","- C104 H128 O32 -","8","1","FR1181","Gerkin, Roger E.","3-[2-(1,3-Dioxolan-2-yl)ethyl]-2-methylbenzoic acid","Acta Crystallographica Section C","1999","55","5","798","801","10.1107/S0108270199000128","","","0.71073","MoKα","","","0.065","","","0.077","","","","","1.42","1.42","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008462","18.6342","0.0019","11.1941","0.0008","34.734","0.002","90","","99.188","0.009","90","","7152.3","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Trinitrato-bis[N-(2-pyridinylmethylene)-N'-benzoyl-hydrazino]cerium(III) acetone dihydrate","","- C29 H32 Ce N9 O14 -","- C29.5 H28 Ce N8.5 O14 -","- C236 H224 Ce8 N68 O112 -","8","2","GD1012","Christidis, Panayiotis C.; Tossidis, Ioannis A.; Paschalidis, Damianos G.","Bis[<i>N</i>-benzoyl-<i>N</i>'-(2-pyridylmethylene)hydrazine]trinitratocerium(III) acetone dihydrate","Acta Crystallographica Section C","1999","55","5","707","710","10.1107/S0108270199000438","","","0.7107","MoKα","","0.1077","0.0462","","","","0.1162","","","","","","0.945","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008463","12.369","0.001","12.998","0.001","13.39","0.001","63.54","0.01","88.97","0.01","79.89","0.01","1892.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","N-[2,3-dihydro-4-(2,5-Dimethoxyphenyl)thiazol-2-ylidene]-2,4- dichlorobenzenesulfonamide.","","- C17 H14 Cl2 N2 O4 S2 -","- C17 H14 Cl2 N2 O4 S2 -","- C68 H56 Cl8 N8 O16 S8 -","4","2","GS1030","Beuchet, Pierre; Léger, Jean-Michel; Varache-Lembége, Martine; Nuhrich, Alain","Tautomerism in a 2,4-dichlorobenzenesulfonamide derived from 2-amino-4-(2,5-dimethoxyphenyl)thiazole","Acta Crystallographica Section C","1999","55","5","791","794","10.1107/S0108270198017922","","","1.54178","CuKα","","0.07","0.041","","0.101","0.134","","","","1.043","1.088","1.088","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008465","9.033","0.001","11.081","0.001","13.447","0.001","90","","90","","90","","1346","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(E)-3-(Benzoylmethylene)-N-methyl isoindolin-1-one","(E)-3-(Benzoylmethylene)-N-methyl isoindolin-1-one","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","HA1246","Guha, Subhadra; Mukherjee, Alok K.; Khan, M. Wahab; Kundu, Nitya G.","(<i>E</i>)-3-(Benzoylmethylene)-<i>N</i>-methylisoindolin-1-one","Acta Crystallographica Section C","1999","55","5","818","819","10.1107/S0108270198018393","","","0.71073","MoKα","","0.069","0.04","","0.104","0.096","","","","0.863","0.968","0.968","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008466","11.245","0.002","11.752","0.002","14.476","0.005","90","","90","","90","","1913","0.8","150","1","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'R, 2'R)-3-[(cis-2'-Cyclohexylmethylcyclopentyl)imino]-2-azabicyclo[2.2.2] octan-HBr","","- C19 H33 Br N2 -","- C19 H33 Br N2 -","- C76 H132 Br4 N8 -","4","1","JZ1314","Hartmann, Susanne; Weckert, Edgar; Frahm, August W.","(1'<i>R</i>,2'<i>R</i>)-3-[(<i>cis</i>-2'-Cyclohexylmethylcyclopentyl)imino]-2-azabicyclo[2.2.2]octane hydrobromide, a hypoglycaemic semicyclic amidine","Acta Crystallographica Section C","1999","55","5","806","808","10.1107/S0108270199000402","","","0.71069","MoKα","","0.0196","0.0195","","","","0.0512","","","","","","1.102","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008467","12.106","0.002","6.831","0.001","13.411","0.003","90","","116.74","0.03","90","","990.4","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Diaquahydrogen(1+) hexachloroantimonat","","","- Cl6 H5 O2 Sb -","- Cl6 H5 O2 Sb -","- Cl24 H20 O8 Sb4 -","4","0.5","JZ1325","Minkwitz, Rolf; Hirsch, Claudia","Tieftemperaturstruktur von diaquahydrogen(1+) hexachloroantimonat, H~5~O~2~^+^^.^SbCl~6~^{-^}","Acta Crystallographica Section C","1999","55","5","703","705","10.1107/S0108270198018058","","","0.71069","MoKα","","0.065","0.034","","0.064","0.058","","","","0.995","1.074","1.074","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008468","6.914","0.003","9.48","0.007","13.644","0.004","102.9","0.04","90.3","0.03","106.85","0.05","831.9","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","dimethyl (Z)-2-[1-methyl-2-(p-tolyl)-4,5-dihydro-1H-pyrrol-3- yl]but-2-enedioate","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C36 H42 N2 O8 -","2","1","JZ1327","Zellmer, Dirk; Niewa, Rainer; Kreher, Richard P.","A functionalized dimethyl maleate (maleic acid dimethyl ester)","Acta Crystallographica Section C","1999","55","5","823","825","10.1107/S0108270199000852","","","0.71069","MoKα","","0.153","0.054","","","","0.142","","","","","","1.09","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008469","4.8112","0.0007","4.8112","0.0007","23.302","0.005","90","","90","","120","","467.12","0.14","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","barium dinickel(II) bis(phosphate)","","- Ba Ni2 O8 P2 -","- Ba Ni2 O8 P2 -","- Ba3 Ni6 O24 P6 -","3","0.166667","JZ1337","El-Bali, Brahim; Bolte, Michael; Boukhari, Ali; Aride, Jilali; Taibe, M'Hamed","BaNi~2~(PO~4~)~2~","Acta Crystallographica Section C","1999","55","5","701","702","10.1107/S0108270199000499","","","0.71073","MoKα","","0.039","0.039","","","","0.099","","","","","","1.167","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008470","12.0311","0.0016","24.574","0.003","8.9357","0.0011","90","","99.245","0.014","90","","2607.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-oxa-bicyclo[2.2.1]heptane-2-exo,3-exo-dicarboxylato-(2,2'-bipyridine-N,N') manganese(II) 7-oxa-bicyclo[2.2.1]heptane-2-exo,3-exo-dicarboxylic acid monohydrate","","- C26 H28 Mn N2 O11 -","- C26 H28 Mn N2 O11 -","- C104 H112 Mn4 N8 O44 -","4","1","KA1307","Baumeister, Ute; Hartung, Helmut; Kaplonek, Roland","(2,2'-Bipyridine-<i>N</i>,<i>N</i>')(7-oxabicyclo[2.2.1]heptane-2-<i>exo</i>,3-<i>exo</i>-dicarboxylato-κ^3^<i>O</i>^2,3,7^)manganese(II)‒7-oxabicyclo[2.2.1]heptane-2-<i>exo</i>,3-<i>exo</i>-dicarboxylic acid‒water (1/1/1)","Acta Crystallographica Section C","1999","55","5","715","717","10.1107/S0108270198018095","","","0.71073","MoKα","","0.103","0.052","","","","0.123","","","","","","1.1","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008471","7.2842","0.0006","13.45","0.001","16.503","0.002","90","","90","","90","","1616.8","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","androst-4-ene-3,6,17-trione","Androst-4-ene-3,6,17-trione","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","KA1312","Addlagatta Anthony; Mariusz Jaskólski; Ashwini Nangia","Androst-4-ene-3,6,17-trione","Acta Crystallographica Section C","1999","55","5","787","789","10.1107/S0108270199000517","","","1.54178","CuKα","","0.042","0.035","","","","0.101","","","","","","1.01","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008472","8.181","0.002","9.036","0.002","8.392","0.001","90","","90","","90","","620.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H4 Ba O6 -","- C4 H4 Ba O6 -","- C16 H16 Ba4 O24 -","4","1","LN1069","González-Silgo, Cristina; González-Platas, Javier; Ruiz-Pérez, Catalina; López, Trinidad; Torres, Manuel","Barium <small>L</small>-tartrate","Acta Crystallographica Section C","1999","55","5","740","742","10.1107/S0108270198016709","","","0.71069","MoKα","","0.019","0.019","","0.048","","0.048","","","1.21","","","1.21","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008473","9.5461","0.0015","6.251","0.001","20.773","0.003","90","","98.008","0.004","90","","1227.5","0.3","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-benzyloxy-1[H]-phenyltetrazole","","- C14 H12 N4 O -","- C14 H12 N4 O -","- C56 H48 N16 O4 -","4","1","LN1073","Brigas, Amadeu F.; Clegg, William; Johnstone, Robert A.W.; Mendonca, Ricardo F.","5-Benzyloxy-1-phenyltetrazole: catalytic transfer hydrogenolysis of benzyl ethers","Acta Crystallographica Section C","1999","55","5","778","781","10.1107/S0108270199000141","","","0.71073","MoKα","","0.0902","0.0397","","","","0.0896","","","","","","0.91","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008474","14.276","0.003","15.29","0.003","19.807","0.004","90","","102.36","0.02","90","","4223.3","1.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","cis-chlorohydridotetrakis(triethylphosphine)iridium(III) bis(catecholato)borate","","- C36 H69 B Cl Ir O4 P4 -","- C36 H69 B Cl Ir O4 P4 -","- C144 H276 B4 Cl4 Ir4 O16 P16 -","4","1","LN1074","Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.","Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations","Acta Crystallographica Section C","1999","55","5","733","739","10.1107/S0108270199000323","","","0.71073","MoKα","","0.05","0.0289","","","","0.0796","","","","","","1.02","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008475","12.5401","0.0008","13.5374","0.0009","16.931","0.0011","91.937","0.002","97.051","0.002","90.121","0.002","2850.8","0.3","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","trans-chlorohydridobis(1,2-bis(diphenylphosphino)ethane)rhodium(III) bis(catecholato)borate dichloromethane solvate","","- C65 H59 B Cl3 O4 P4 Rh -","- C65 H59 B Cl3 O4 P4 Rh -","- C130 H118 B2 Cl6 O8 P8 Rh2 -","2","1","LN1074","Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.","Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations","Acta Crystallographica Section C","1999","55","5","733","739","10.1107/S0108270199000323","","","0.71073","MoKα","","0.0591","0.0461","","","","0.1041","","","","","","1.139","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008476","13.932","0.0008","21.2938","0.001","25.5613","0.0014","90","","90","","90","","7583.1","0.7","160","2","160","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","trans-chlorohydridobis(1,2-bis(dicyclohexylphosphino)ethane)rhodium(III) bis(catecholato)borate dichloromethane tetrasolvate","","- C68 H113 B Cl9 O4 P4 Rh -","- C68 H113 B Cl9 O4 P4 Rh -","- C272 H452 B4 Cl36 O16 P16 Rh4 -","4","1","LN1074","Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.","Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations","Acta Crystallographica Section C","1999","55","5","733","739","10.1107/S0108270199000323","","","0.71073","MoKα","","0.0993","0.0858","","","","0.1783","","","","","","1.381","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008477","9.7315","0.0009","29.559","0.003","10.8716","0.001","90","","102.541","0.002","90","","3052.6","0.5","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetrakis(trimethylphosphine)rhodium(I) bis(catecholato)borate","","- C24 H44 B O4 P4 Rh -","- C24 H44 B O4 P4 Rh -","- C96 H176 B4 O16 P16 Rh4 -","4","1","LN1074","Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.","Salts of the bis(catecholato)borate anion with rhodium– and iridium–phosphine complex cations","Acta Crystallographica Section C","1999","55","5","733","739","10.1107/S0108270199000323","","","0.71073","MoKα","","0.0609","0.0365","","","","0.0815","","","","","","1.053","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008478","13.4442","0.0007","18.7746","0.001","24.5809","0.0012","90","","90","","90","","6204.5","0.6","160","2","160","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","cis-dihydridotetrakis(trimethylphosphine)rhodium(III) bis(catecholato)borate","","- C24 H46 B O4 P4 Rh -","- C24 H46 B O4 P4 Rh -","- C192 H368 B8 O32 P32 Rh8 -","8","1","LN1074","Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.","Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations","Acta Crystallographica Section C","1999","55","5","733","739","10.1107/S0108270199000323","","","0.71073","MoKα","","0.1043","0.0878","","","","0.1903","","","","","","1.448","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008479","10.387","0.001","10.248","0.001","13.857","0.003","90","","107.54","0.02","90","","1406.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","NA1384","Subramanian, E.; Renganayaki, S.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","<i>N</i>-Methyl-2'-nitrocinnamanilide","Acta Crystallographica Section C","1999","55","5","764","766","10.1107/S010827019801806X","","","0.71073","MoKα","","0.058","0.044","","0.124","0.113","","","","1.029","1.083","1.083","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008480","13.5557","0.0013","9.8241","0.0009","17.604","0.002","90","","90","","90","","2344.4","0.4","295","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Dichloro(pentamethylcyclopentadienyl)(2,6-diisopropylaniline)rhodium(III)","","- C22 H34 Cl2 N Rh -","- C22 H34 Cl2 N Rh -","- C88 H136 Cl8 N4 Rh4 -","4","1","NA1385","Lee, Soon W.; Lee, Jae-Gyung","Dichloro(2,6-diisopropylaniline-<i>N</i>)(η^5^-pentamethylcyclopentadienyl)rhodium(III)","Acta Crystallographica Section C","1999","55","5","722","724","10.1107/S0108270198014693","","","0.71073","MoKα","","","0.0232","","","","0.0611","","","","","","1.083","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008481","12.336","0.001","13.447","0.001","20.024","0.001","75.44","0.01","88.71","0.01","63.8","0.01","2869.6","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","A W-Ag-Se Cluster Compound, (μ~3~-bromine)(μ~3~-tetraselenidotungstide)tris(triphenylphosphinesilver)- ethanol [(μ~3~-Br)(μ~3~-WSe~4~)(AgPPh~3~)~3~]^.^EtOH","","- C56 H51 Ag3 Br O P3 Se4 W -","- C56 H51 Ag3 Br O P3 Se4 W -","- C112 H102 Ag6 Br2 O2 P6 Se8 W2 -","2","1","NA1390","Zhang, Qianfeng; Xin, Xinquan; Hong, Maochun; Cao, Rong; S.Shanmuga Sundara Raj; Hoong-Kun Fun","A W‒Ag‒Se cluster compound: (μ~3~-bromo)(μ~3~-tetraselenidotungstide)tris(triphenylphosphinesilver) ethanol solvate, [(μ~3~-Br)(μ~3~-WSe~4~)(AgPPh~3~)~3~]^.^EtOH","Acta Crystallographica Section C","1999","55","5","726","728","10.1107/S0108270199000207","","","0.71073","MoKα","","0.055","0.041","","","","0.107","","","","","","1.038","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008482","14.084","0.005","14.047","0.005","10.402","0.005","90","0.005","93.463","0.005","90","0.005","2054.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[(N,N,N',N"",N""pentamethyldiethylenetriamine)iodoplatinum(II)] [tetraiodo-μ-,μ'-diiododiplatinate(II)]","","- C18 H46 I8 N6 Pt4 -","- C18 H46 I8 N6 Pt4 -","- C36 H92 I16 N12 Pt8 -","2","0.5","NA1394","Francesco P. Fanizzi; Francesco P. Intini; Luciana Maresca; Giovanni Natile; Concetta Pacifico","Bis[iodo(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''-pentamethyldiethylenetriamine-κ^3^<i>N</i>)platinum(II)] di-μ-iodo-bis[diiodoplatinate(II)]","Acta Crystallographica Section C","1999","55","5","712","714","10.1107/S010827019801693X","","","0.71069","MoKα","","","0.043","","","","0.079","","","","","","0.841","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008483","10.386","0.001","22.501","0.001","11.114","0.001","90","","110.08","0.03","90","","2439.4","0.6","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Cl5 N3 O P3 -","- C15 H23 Cl5 N3 O P3 -","- C60 H92 Cl20 N12 O4 P12 -","4","1","NA1395","Hökelek, Tuncer; Kılıç, Adem; Begeç, Saliha; Kılıç, Zeynel","2,4,4,6,6-Pentachloro-2-(2,6-di-<i>tert</i>-butyl-4-methylphenoxy)cyclo-2λ^5^,4λ^5^,6λ^5^-triphosphazatriene","Acta Crystallographica Section C","1999","55","5","783","785","10.1107/S0108270198016941","","","0.71073","MoKα","","","0.038","","","0.05","","","","","1.6","1.6","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008484","8.4481","0.0001","16.4652","0.0001","16.814","0.0002","104.33","0.001","97.886","0.001","92.943","0.001","2235.74","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,2-di(2-methoxyphenyl)-4-methyl-7,8,9,10-tetrahydro-8,9epoxy[2H]benzo [ 1,2-b]chromene","","- C28 H26 O4 -","- C28 H26 O4 -","- C112 H104 O16 -","4","2","NA1398","Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T.","2,2-Bis(2-methoxyphenyl)-4-methyl-8,9-epoxy-7,8,9,10-tetrahydro-2<i>H</i>-benzo[<i>h</i>]chromene","Acta Crystallographica Section C","1999","55","5","768","770","10.1107/S0108270198018071","","","0.71073","MoKα","","0.118","0.049","","","","0.138","","","","","","0.884","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008485","22.07","0.02","4.419","0.006","22.29","0.03","90","","127.18","0.08","90","","1732","4","293","","","","","","","","","","","5","C 1 2 1","C 2y","5","","(+)-(2R-cis)-10-Bromo-2,3,3a,8-tetrahydro- N,N-dimethyl-dibenz[c,f]isoxazolo[2,3-a]azepine-2-methanamine","","- C19 H21 Br N2 O -","- C19 H21 Br N2 O -","- C76 H84 Br4 N8 O4 -","4","1","NA1399","Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter; Hans L. De Winter","(+)-(2<i>R</i>-<i>cis</i>)-Dimethyl(10-bromo-2,3,3a,8-tetrahydrodibenz[<i>c</i>,<i>f</i>]isoxazolo[2,3-<i>a</i>]azepin-2-ylmethyl)amine","Acta Crystallographica Section C","1999","55","5","794","796","10.1107/S0108270199000219","","","0.71073","MoKα","","0.0633","0.0365","","0.0908","","0.0908","","","1.056","","","1.056","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008486","6.376","0.0001","18.121","0.0002","10.6546","0.0001","90","","107.408","0.0001","90","","1174.65","0.03","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","","Chinnakali, Kandasamy; Fun, Hoong-Kun; Mal, Dipakranjan; Bandopadhyay, Mousumi; Datta, Kalyani; Nigam, Gur Dayal","5a,6,9,9a-Tetrahydro-4-hydroxy-6,9-methano-5H-fluoreno[2,3-b]furan-5-one and 5a,6,9,9a-tetrahydro-6,9-methano-4-methoxy-5H-fluoreno[2,3-b]furan-5-ol","Acta Crystallographica Section C","1999","55","","774","776","","","","","","","","","","","","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008487","9.8318","0.0001","9.9472","0.0002","14.2471","0.0003","73.852","0.008","86.554","0.009","78.916","0.001","1313.38","0.07","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","5,5a,6,9,9a-pentahydro-5-hydroxy-6,9-methano-4-methoxyfluoreno[ 2,3-d]furan","","- C17 H16 O3 -","- C17 H16 O3 -","- C68 H64 O12 -","4","2","NA1407","Chinnakali, Kandasamy; Fun, Hoong-Kun; Mal, Dipakranjan; Bandopadhyay, Mousumi; Datta, Kalyani; Nigam, Gur Dayal","5a,6,9,9a-Tetrahydro-4-hydroxy-6,9-methano-5<i>H</i>-fluoreno[2,3-<i>b</i>]furan-5-one and 5a,6,9,9a-tetrahydro-6,9-methano-4-methoxy-5<i>H</i>-fluoreno[2,3-<i>b</i>]furan-5-ol","Acta Crystallographica Section C","1999","55","5","774","776","10.1107/S0108270199001596","","","0.71073","MoKα","","0.142","0.058","","","","0.159","","","","","","0.906","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008488","10.762","0.002","10.96","0.002","7.16","0.001","100.76","0.01","97.53","0.01","115.33","0.01","728.5","0.2","298.2","","298.2","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N4 O3 Pd -","- C15 H16 N4 O3 Pd -","- C30 H32 N8 O6 Pd2 -","2","1","OA1076","Tamura, Masana; Kajikawa, Yuji; Azuma, Nagao; Tani, Hiroyuki; Tajima, Kunihiko; Kanaori, Kenji; Makino, Keisuke; Takayama, Toshio","[1,3-Bis(pyridine-2-carboxamido)propane]palladium(II) monohydrate and its nickel(II) analogue","Acta Crystallographica Section C","1999","55","5","719","722","10.1107/S0108270198016412","","","0.7107","MoKα","","","0.032","","","","0.035","","","","","","1.57","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008489","7.183","0.002","9.307","0.003","11.326","0.003","90","","105.73","0.02","90","","728.8","0.4","298.2","","298.2","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C15 H16 N4 Ni O3 -","- C14.5 H16 N4 Ni0.5 O2.5 -","- C29 H32 N8 Ni O5 -","2","0.5","OA1076","Tamura, Masana; Kajikawa, Yuji; Azuma, Nagao; Tani, Hiroyuki; Tajima, Kunihiko; Kanaori, Kenji; Makino, Keisuke; Takayama, Toshio","[1,3-Bis(pyridine-2-carboxamido)propane]palladium(II) monohydrate and its nickel(II) analogue","Acta Crystallographica Section C","1999","55","5","719","722","10.1107/S0108270198016412","","","0.7107","MoKα","","","0.043","","","","0.045","","","","","","1.674","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008490","7.145","0.004","32.419","0.009","5.142","0.002","90","","90","","90","","1191.1","0.9","298.2","","298.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,11-undecanediol","","","- C11 H24 O2 -","- C11 H24 O2 -","- C44 H96 O8 -","4","1","OB1004","Naotake Nakamura; Shigetaka Setodoi; Tatsuhiro Ikeya","1,11-Undecanediol","Acta Crystallographica Section C","1999","55","5","789","791","10.1107/S0108270198018253","","","1.5418","CuKα","","0.066","0.0499","","0.0771","0.07","","","","1.334","1.38","1.38","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008491","8.608","0.003","10.393","0.004","12.455","0.005","109.36","0.04","102.24","0.03","92.1","0.03","1020.4","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","10β-Hydroxy-6α-(3,4,5-trimethoxyphenyl)-2,3,6,6aα,7,9,9aβ,10- octahydroisobenzofuro[5,6-g][1,4]benzodioxin-7-one","","- C23 H24 O8 -","- C23 H24 O8 -","- C46 H48 O16 -","2","1","OS1046","A. Sergi Capilla; M. Dolors Pujol; Xavier Solans; Mercè Font-Bardia","10β-Hydroxy-6α-(3,4,5-trimethoxyphenyl)-2,3,6,6aα,7,9,9aβ,10-octahydroisobenzofuro[5,6-<i>g</i>][1,4]benzodioxin-7-one","Acta Crystallographica Section C","1999","55","5","786","787","10.1107/S0108270198017296","","","0.71069","MoKα","","0.067","0.057","","","","0.141","","","","","","1.044","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008492","7.6235","0.0015","7.9661","0.0016","7.9712","0.0016","106.71","0.03","108.96","0.03","95.64","0.03","428.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Cl2 Cu N4 O8 -","- C12 H16 Cl2 Cu N4 O8 -","- C12 H16 Cl2 Cu N4 O8 -","1","0.5","QA0091","Huai-Ming Hu; De-Liang Long; Hui-Yi Zeng; Wen-Dan Cheng; Jin-Shun Huang","A redetermination of bis(2-aminomethylpyridine)diperchloratocopper(II)","Acta Crystallographica Section C","1999","55","5","IUC9900049","","10.1107/S0108270199099485","","","0.71073","MoKα","","0.054","0.036","","","","0.083","","","","","","1.048","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008493","14.06","0.0009","26.4879","0.0016","32.732","0.002","90","","90","","90","","12190","1.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Tris(1,3-diaminopropane-N,N')nickel(II) diperchlorate","Tris(1,3-diaminopropane-N,N')nickel(II) diperchlorate","","- C9 H30 Cl2 N6 Ni O8 -","- C9 H30 Cl2 N6 Ni O8 -","- C216 H720 Cl48 N144 Ni24 O192 -","24","3","QA0097","Olof Kristiansson","Tris(1,3-diaminopropane-<i>N</i>,<i>N</i>')nickel(II) diperchlorate","Acta Crystallographica Section C","1999","55","5","IUC9900038","","10.1107/S0108270199099539","","","0.71073","MoKα","","0.104","0.06","","","","0.195","","","","","","1.03","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008494","7.4603","0.0005","9.5852","0.0006","10.4734","0.0006","90","","106.713","0.005","90","","717.3","0.08","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-aminothiazolino[3,2a]pyrimidin-5-one","","- C6 H7 N3 O S -","- C6 H7 N3 O S -","- C24 H28 N12 O4 S4 -","4","1","QA0108","Low, John Nicolson; Ferguson, George; Melguizo, Manuel; Sanchez, Adolfo","7-Amino-2,3-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidin-5-one","Acta Crystallographica Section C","1999","55","5","IUC9900048","","10.1107/S0108270199099461","","","0.71073","MoKα","","0.054","0.038","","","","0.127","","","","","","1.32","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008495","11.586","0.001","15.48","0.002","15.408","0.001","90","","103.436","0.008","90","","2687.8","0.5","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5-Ethyl-2-phenyl-3-trifluoromethyl-1-(2,4,6-trichlorophenyl)-1H- 1,2,4-triazolium hexachloroantimonate","","- C17 H12 Cl9 F3 N3 Sb -","- C17 H12 Cl9 F3 N3 Sb -","- C68 H48 Cl36 F12 N12 Sb4 -","4","1","QA0110","Xian-Jun Liu; Yu-Bo Fan; Yi Liu; Quan-Rui Wang","5-Ethyl-2-phenyl-1-(2,4,6-trichlorophenyl)-3-trifluoromethyl-1<i>H</i>-1,2,4-triazolium hexachloroantimonate","Acta Crystallographica Section C","1999","55","5","IUC9900047","","10.1107/S0108270199099473","","","0.7107","MoKα","","","0.03","","","0.038","","","","","1.54","1.54","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008496","10.649","0.002","5.8777","0.0016","14.8257","0.0015","90","","107.705","0.01","90","","884","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N,N'-dibenzenesulfonylputrescine","N-{4-[(benzenesulfonyl)amino]butyl}benzenesulfonamide","","- C16 H20 N2 O4 S2 -","- C16 H20 N2 O4 S2 -","- C32 H40 N4 O8 S4 -","2","0.5","QA0111","Linden, Anthony; Bienz, Stefan","<i>N</i>,<i>N</i>'-Dibenzenesulfonylputrescine","Acta Crystallographica Section C","1999","55","5","IUC9900046","","10.1107/S010827019909945X","","","0.71069","MoKα","","0.06","0.036","","","","0.105","","","","","","1.027","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008498","8.1864","0.0006","18.141","0.002","9.3307","0.0007","90","","103.662","0.006","90","","1346.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{[2-(1,5-diazacyclooctane)methyl phenol]copper}-di(μ-(end-on)azide)","","- C26 H38 Cu2 N10 O2 -","- C26 H38 Cu2 N10 O2 -","- C52 H76 Cu4 N20 O4 -","2","0.5","QB0072","Weiming Bu; Ling Ye; Qiang Xu; Xianhe Bu; Guangdi Yang; Yuguo Fan","Bis(μ-azido-κ<i>N</i>^1^:κ<i>N</i>^1^)bis{[2-(1,5-diazacyclooct-1-yl-κ^2^<i>N</i>,<i>N</i>'-methyl)phenolato-κ<i>O</i>]copper(II)}","Acta Crystallographica Section C","1999","55","5","IUC9900044","","10.1107/S0108270199099515","","","0.71073","MoKα","","0.051","0.041","","0.065","0.05","","","","1.002","1.028","1.028","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008499","8.332","0.002","13.766","0.003","17.264","0.004","90","","90","0.03","90","","1980.2","0.8","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Sodium hydrogen dichloro(ethylenediaminetetra-acetate) ruthenium(III) eneahydrate","","- C20 H47 Cl4 N4 Na O25 Ru2 -","- C20 H46 Cl4 N4 Na O25 Ru2 -","- C40 H92 Cl8 N8 Na2 O50 Ru4 -","2","1","QB0080","Stadler, Eduardo; Stadler, Carlos C.; Peixoto, Carlos R. de M.; Vencato, Ivo","Sodium hydrogen bis[dichloro(dihydrogen ethylenediaminetetraacetato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>')ruthenium(III)] nonahydrate","Acta Crystallographica Section C","1999","55","5","IUC9900051","","10.1107/S0108270199099503","","","0.71073","MoKα","","0.023","0.023","","","","0.062","","","","","","1.082","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008500","6.318","0.004","15.69","0.04","11.161","0.006","90","","103.48","0.05","90","","1076","3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β,4β-epoxy-7-oxo-7a-oxa-5β-cholanoic acid","","- C24 H36 O5 -","- C24 H36 O5 -","- C48 H72 O10 -","2","1","QB0082","Angel Dago Morales; Santiago García-Granda; Roxana Pérez Gil; Francisco Coll-Manchado","3β,4β-Epoxy-7-oxo-7a-oxa-7a-homo-5β-cholan-24-oic acid","Acta Crystallographica Section C","1999","55","5","IUC9900043","","10.1107/S0108270199099448","","","0.71073","MoKα","","0.107","0.053","","","","0.155","","","","","","1.034","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008501","10.361","0.01","13.044","0.01","18.806","0.006","90","","90","","90","","2542","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(25R)-3β-Bromo-5α-spirostan-6,23-dione","","- C27 H39 Br O4 -","- C27 H39 Br O4 -","- C108 H156 Br4 O16 -","4","1","QB0083","Angel Dago Morales; Santiago García-Granda; Martín Andrés Iglesias-Arteaga; Francisco Coll-Manchado","(25<i>R</i>)-3β-Bromo-5α-spirostan-6,23-dione","Acta Crystallographica Section C","1999","55","5","IUC9900042","","10.1107/S0108270199099436","","","0.71073","MoKα","","0.305","0.041","","","","0.107","","","","","","0.929","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:32",""
"2008502","6.001","0.003","12.107","0.004","22.995","0.005","90","","90","","90","","1670.7","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S,S)-Ferrocenyl[methyl(1-phenyl-ethyl)amino]acetonitrile","","- C21 H22 Fe N2 -","- C21 H22 Fe N2 -","- C84 H88 Fe4 N8 -","4","1","QB0089","Howell, James A. S.; Humphries, Kristina; McArdle, Patrick; Cunningham, Desmond; Walsh, Martin; Daly, Pearl","(<i>S</i>,<i>S</i>)-Ferrocenyl[methyl(1-phenylethyl)amino]acetonitrile","Acta Crystallographica Section C","1999","55","5","IUC9900050","","10.1107/S0108270199099497","","","0.5","synchrotron","","0.032","0.029","","","","0.074","","","","","","1.004","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008503","20.62","0.006","13.147","0.004","9.601","0.005","90","","101.14","0.03","90","","2553.7","1.7","293","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cl N3 O2 -","- C13 H12 Cl N3 O2 -","- C104 H96 Cl8 N24 O16 -","8","1","QB0090","Benakli, K.; Crozet, M. P.; Vanelle, P.; Giorgi, M.","(<i>E</i>)-2-[2-(4-Chloromethylphenyl)vinyl]-1-methyl-5-nitro-1<i>H</i>-imidazole","Acta Crystallographica Section C","1999","55","5","IUC9900041","","10.1107/S0108270199099424","","","0.71073","MoKα","","0.084","0.051","","","","0.148","","","","","","1.063","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008504","11.337","0.002","9.96","0.002","11.423","0.002","90","","117.15","0.01","90","","1147.7","0.4","297","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","4,4-Dimethyltricyclo[6.3.0.0^1,7^]undecane-2,6-dione","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","QB0094","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","<i>cis</i>-4,4-Dimethyltricyclo[6.3.0.0^1,7^]undecane-2,6-dione","Acta Crystallographica Section C","1999","55","5","IUC9900039","","10.1107/S0108270199099412","","","0.71073","MoKα","","","0.065","","","","0.076","","","","","","1.09","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008505","10.994","0.002","6.718","0.002","16.824","0.002","90","","102.59","0.01","90","","1212.7","0.4","297","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione","","- C12 H17 Br O2 -","- C12 H17 Br O2 -","- C48 H68 Br4 O8 -","4","1","QB0095","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (I), 5-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 3,5-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 1,7-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (IV)","Acta Crystallographica Section C","1999","55","5","IUC9900040","","10.1107/S0108270199099400","","","0.71073","MoKα","","","0.054","","","","0.069","","","","","","1.31","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008506","7.186","0.001","18.104","0.002","9.569","0.002","90","","97.34","0.02","90","","1234.7","0.3","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione","","- C12 H17 Br O2 -","- C12 H17 Br O2 -","- C48 H68 Br4 O8 -","4","1","QB0095","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (I), 5-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 3,5-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 1,7-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (IV)","Acta Crystallographica Section C","1999","55","5","IUC9900040","","10.1107/S0108270199099400","","","0.71073","MoKα","","","0.057","","","","0.074","","","","","","1.31","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008507","16.027","0.003","11.741","0.004","14.477","0.003","90","","102.56","0.01","90","","2659","1.2","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-Dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione","","- C12 H16 Br2 O2 -","- C12 H16 Br2 O2 -","- C96 H128 Br16 O16 -","8","1","QB0095","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (I), 5-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 3,5-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 1,7-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (IV)","Acta Crystallographica Section C","1999","55","5","IUC9900040","","10.1107/S0108270199099400","","","0.71073","MoKα","","","0.055","","","","0.085","","","","","","1.88","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008508","7.228","0.002","15.875","0.003","5.851","0.002","99.57","0.03","98.31","0.03","77.2","0.02","641.5","0.3","298","","","","","","","","","","","4","P -1","-P 1","2","","1,7-Dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione","","- C12 H16 Br2 O2 -","- C12 H16 Br2 O2 -","- C24 H32 Br4 O4 -","2","1","QB0095","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (I), 5-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 3,5-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 1,7-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (IV)","Acta Crystallographica Section C","1999","55","5","IUC9900040","","10.1107/S0108270199099400","","","0.71073","MoKα","","","0.041","","","","0.055","","","","","","1.23","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008509","21.797","0.004","17.904","0.004","12.497","0.002","90","","112.59","0.03","90","","4502.8","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","aqua(2,2'-bipyrimidine-N,N')(2,6-di(2-pyridyl)-pyridineN,N',N'') dicopper(II) tetraperchlorate","","- C38 H30 Cl4 Cu2 N10 O17 -","- C38 H30 Cl4 Cu2 N10 O17 -","- C152 H120 Cl16 Cu8 N40 O68 -","4","0.5","SK1194","Francese, Giancarlo; Schmalle, Helmut W.; Decurtins, Silvio","A copper(II) dimer: aqua(μ-2,2'-bipyrimidine-<i>N</i>,<i>N</i>')(perchlorato)bis{[2,6-bis(2-pyridyl)pyridine-<i>N</i>,<i>N</i>',<i>N</i>'']copper(II)} triperchlorate","Acta Crystallographica Section C","1999","55","5","730","733","10.1107/S0108270199000530","","","0.71073","MoKα","","0.1036","0.0461","","","","0.1478","","","","","","1.029","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008510","12.9","0.002","18.135","0.002","21.822","0.004","90","","97.42","0.01","90","","5062.3","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[triphenyltin-μ-(N,N-diethylthiocarbamoylthioacetato)-O:O']","","- C25 H27 N O2 S2 Sn -","- C25 H27 N O2 S2 Sn -","- C200 H216 N8 O16 S16 Sn8 -","8","2","SK1233","Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng; Hook, James M.","<i>catena</i>-Poly[triphenyltin-μ-(<i>N</i>,<i>N</i>-diethylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')], <i>catena</i>-poly[triphenyltin-μ-(<i>N</i>-methyl-<i>N</i>-phenylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')] and triphenyl(<i>N</i>,<i>N</i>-tetramethylenethiocarbamoylthioacetato-<i>O</i>)tin","Acta Crystallographica Section C","1999","55","5","744","748","10.1107/S0108270199002954","","","0.71073","MoKα","","0.1","0.058","","","","0.166","","","","","","1.009","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008511","17.019","0.002","18.466","0.002","18.921","0.002","71.952","0.007","72.482","0.008","73.333","0.009","5267.3","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[(triphenyltin-μ-N-methyl-N-phenyldithiocarbamoylacetato)-O:O']","","- C28 H25 N O2 S2 Sn -","- C28 H25 N O2 S2 Sn -","- C224 H200 N8 O16 S16 Sn8 -","8","4","SK1233","Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng; Hook, James M.","<i>catena</i>-Poly[triphenyltin-μ-(<i>N</i>,<i>N</i>-diethylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')], <i>catena</i>-poly[triphenyltin-μ-(<i>N</i>-methyl-<i>N</i>-phenylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')] and triphenyl(<i>N</i>,<i>N</i>-tetramethylenethiocarbamoylthioacetato-<i>O</i>)tin","Acta Crystallographica Section C","1999","55","5","744","748","10.1107/S0108270199002954","","","0.71073","MoKα","","0.097","0.052","","","","0.124","","","","","","1.002","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008512","9.7442","0.0003","9.8923","0.0005","13.3187","0.0004","107.064","0.004","95.246","0.003","97.153","0.004","1206.62","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","(N,N-tetramethylenethiocarbamoylthioacetato)triphenyltin","","- C25 H25 N O2 S2 Sn -","- C25 H25 N O2 S2 Sn -","- C50 H50 N2 O4 S4 Sn2 -","2","1","SK1233","Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng; Hook, James M.","<i>catena</i>-Poly[triphenyltin-μ-(<i>N</i>,<i>N</i>-diethylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')], <i>catena</i>-poly[triphenyltin-μ-(<i>N</i>-methyl-<i>N</i>-phenylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')] and triphenyl(<i>N</i>,<i>N</i>-tetramethylenethiocarbamoylthioacetato-<i>O</i>)tin","Acta Crystallographica Section C","1999","55","5","744","748","10.1107/S0108270199002954","","","0.71073","MoKα","","0.024","0.021","","","","0.057","","","","","","1.003","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008513","7.654","0.002","11.578","0.002","17.771","0.003","90","","90","","90","","1574.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Polimeric (Aqua-1κO)bis[(R,R)-tartrato-1κ^2^O^1^,O^2^:2κ^2^O^3^,O^4^] dicadmium(II) Trihydrate","","- C8 H16 Cd2 O16 -","- C8 H8 Cd2 O16 -","- C32 H32 Cd8 O64 -","4","1","SK1241","González-Silgo, Cristina; González-Platas, Javier; Ruiz-Pérez, Catalina; López, Trinidad; Torres, Manuel Eulalio","Polymeric aqua-1κ<i>O</i>-bis[μ-(<i>R</i>,<i>R</i>)-tartrato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^3^,<i>O</i>^4^]dicadmium(II) trihydrate","Acta Crystallographica Section C","1999","55","5","710","712","10.1107/S0108270199000542","","","0.71069","MoKα","","0.0285","0.028","","0.0717","","0.0717","","","1.204","","","1.204","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008514","6.8228","0.0001","7.1672","0.0002","31.9396","0.0006","90","","90","","90","","1561.86","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Pipemidic Acid Hydrochloride","","- C14 H18 Cl N5 O3 -","- C14 H18 Cl N5 O3 -","- C56 H72 Cl4 N20 O12 -","4","1","SK1259","Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Shu-zhong Zhan; Chuan-jiang Hu; Qingjin Meng","Pipemidic acid hydrochloride","Acta Crystallographica Section C","1999","55","5","766","768","10.1107/S0108270198018277","","","0.71073","MoKα","","0.055","0.049","","","","0.13","","","","","","1.118","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008515","22.2132","0.0015","12.9986","0.0013","8.5456","0.0005","90","","96.107","0.005","90","","2453.5","0.3","294","1","294","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,5,6-Triacetyl-5,6-diaminopyrimidine-2,4-(1H,3H)-dione","","- C10 H12 N4 O5 -","- C10 H12 N4 O5 -","- C80 H96 N32 O40 -","8","1","SK1260","Low, John Nicolson; Ferguson, George; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo","6-Acetylamino-5-(diacetylamino)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section C","1999","55","5","749","751","10.1107/S0108270198018290","","","0.71073","MoKα","","0.0765","0.0426","","","","0.1087","","","","","","1.025","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008516","11.9991","0.0002","9.0405","0.0002","12.0566","0.0002","90","","99.472","0.001","90","","1290.04","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Ethyl-2-(3-oxobutyl)cycloheptane-1,3-dione","","- C13 H20 O3 -","- C13 H20 O3 -","- C52 H80 O12 -","4","1","SK1261","Kandasamy Chinnakali; Hoong-Kun Fun; Desikan Rajagopal; Sambasivam Swaminathan","2-Ethyl-2-(3-oxobutyl)cycloheptane-1,3-dione","Acta Crystallographica Section C","1999","55","5","772","774","10.1107/S0108270198018289","","","0.71073","MoKα","","0.092","0.057","","","","0.172","","","","","","0.981","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008517","11.5436","0.0004","18.282","0.0006","8.2935","0.0003","90","","107.141","0.001","90","","1672.52","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(p-Methoxyphenyl)-3,5-bis(2-pyridyl)-4H-1,2,4-triazole","","- C19 H15 N5 O -","- C19 H15 N5 O -","- C76 H60 N20 O4 -","4","1","SK1269","Hoong-Kun Fun; Kandasamy Chinnakali; Sichang Shao; Dunru Zhu; Xiao Zeng You","4-(<i>p</i>-Methoxyphenyl)-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","1999","55","5","770","772","10.1107/S0108270199001821","","","0.71073","MoKα","","0.074","0.046","","","","0.12","","","","","","1.029","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008518","9.9485","0.0006","9.3724","0.0006","20.3571","0.0011","90","","98.605","0.006","90","","1876.8","0.2","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-Biphenol–1,10-phenanthroline (1/1).","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C96 H72 N8 O8 -","4","1","SK1270","Lavender, Emma S.; Gregson, Richard M.; Ferguson, George; Glidewell, Christopher","2,2'-Biphenol–1,10-phenanthroline (1/1): a two-dimensional structure built up from three types of hydrogen bond and π–π stacking interactions","Acta Crystallographica Section C","1999","55","5","751","754","10.1107/S0108270199002942","","","0.7107","MoKα","","0.081","0.039","","","","0.107","","","","","","1.022","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008519","7.3635","0.0007","9.8643","0.001","11.4142","0.0015","110.845","0.008","99.069","0.012","92.998","0.009","759.83","0.16","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","1,4,8,11-Tetraazacyclotetradecane–2,2'-biphenol (1/2)","","- C34 H44 N4 O4 -","- C34 H44 N4 O4 -","- C34 H44 N4 O4 -","1","0.5","SK1271","Ferguson, George; Gregson, Richard M.; Glidewell, Christopher","A chain of fused <i>R</i>^2^~2~(10) and <i>R</i>^4^~6~(12) rings in the hydrogen-bonded structure of 1,4,8,11-tetraazacyclotetradecane–2,2'-biphenol (1/2)","Acta Crystallographica Section C","1999","55","5","815","817","10.1107/S0108270199001833","","","0.71073","MoKα","","0.074","0.043","","","","0.111","","","","","","1.03","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008520","12.748","0.002","6.11","0.003","14.87","0.006","90","","99.51","0.02","90","","1142.3","0.8","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dl-3-[[2,5-dihydro-3-methyl-2-oxo-5-furanyl]oxo]methylene-3,3a,6,6a- tetrahydro-2H-cyclopenta[b]furan-2-one","","- C13 H12 O5 -","- C13 H12 O5 -","- C52 H48 O20 -","4","1","SX1062","Rugutt, Joseph K.; Fronczek, Frank R.; Yarabe, Houphouet H.; Shamsi, Shahab A.; Henry III, Charles W.; Billiot, Eugene J.; Warner, Isiah M.","A racemic strigol analogue at 100K","Acta Crystallographica Section C","1999","55","5","759","761","10.1107/S0108270199001341","","","0.71073","Mo-Kα","","0.063","0.05","","0.056","0.055","","","","1.992","1.976","1.976","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008521","21.205","0.004","37.941","0.008","12.227","0.002","90","","90","","90","","9837","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","TNLP","Theonellapeptolide-Id","","- C70 H149 N13 O28 -","- C70 H125 N13 O27.65 -","- C280 H500 N52 O110.6 -","4","1","SX1064","Mitsunobu Doi; Toshimasa Ishida; Motomasa Kobayashi; Jeffrey R. Deschamps; Judith L. Flippen-Anderson","The highly solvated structure of theonellapeptolide Id, a tridecapeptide lactone from the Okinawa marine sponge <i>Theonella swinhoei</i>","Acta Crystallographica Section C","1999","55","5","796","798","10.1107/S0108270198014383","","","1.5418","CuKα","","0.136","0.113","","","","0.287","","","","","","1.02","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008522","5.869","0.001","22.53","0.003","8.753","0.001","90","","98.67","0.01","90","","1144.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","PHTU","1-(2-Pyridyl)-3-phenylthiourea","","- C12 H11 N3 S -","- C12 H11 N3 S -","- C48 H44 N12 S4 -","4","1","SX1068","West, Douglas X.; Hermetet, Anne K.; Ackerman, Lily J.; Valdés-Martínez, Jesús; Hernández-Ortega, Simón","3-Phenyl-1-(2-pyridyl)thiourea","Acta Crystallographica Section C","1999","55","5","811","813","10.1107/S0108270198018083","","","0.71073","MoKα","","0.08","0.05","","","0.13","0.149","","","","","","1.072","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008523","8.144","0.002","10.004","0.002","24.101","0.005","90","","90","","90","","1963.6","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","acetylated illustrol","3'-14-epoxy-4',15-dioxaandrost-5-en-3β-yl acetate","","- C22 H30 O5 -","- C22 H30 O5 -","- C88 H120 O20 -","4","1","SX1075","Vencato, Ivo; Niero, Rivaldo; Montanari, João L.; Calixto, João B.; Sant'Ana, Antonio E. G.; Yunes, Rosendo A.","A new 14:15-seco-15-norpregnane derivative from <i>Mandevilla illustris</i> Woodson (Apocynaceae)","Acta Crystallographica Section C","1999","55","5","827","829","10.1107/S0108270199000529","","","0.71073","MoKα","","0.067","0.045","","","","0.143","","","","","","1.069","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008524","10.399","0.003","14.467","0.005","14.216","0.006","90","","104.27","0.03","90","","2072.7","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Cis-(Nitrato-O,O')(C-rac-1,5,8,12-tetramethyl-1,4,8,11- tetraazacyclotetradecane-N,N',N'',N''')nickel(II) Nitrate","","- C14 H32 N6 Ni O6 -","- C14 H32 N6 Ni O6 -","- C56 H128 N24 Ni4 O24 -","4","0.5","TA1219","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Liao, Fen-Ling; Chung, Chung-Sun","<i>cis</i>-(Nitrato-<i>O</i>,<i>O</i>')[(1<i>RS</i>,4<i>SR</i>,5<i>SR</i>,8<i>RS</i>,11<i>SR</i>,12<i>SR</i>)-<i>C</i>-<i>rac</i>-1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]nickel(II) nitrate","Acta Crystallographica Section C","1999","55","5","724","726","10.1107/S0108270198014449","","","0.71073","MoKα","","0.0435","0.0369","","","","0.1035","","","","","","1.075","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008525","10.594","0.002","7.461","0.004","22.92","0.005","90","","90","","90","","1811.6","1.1","153.2","","153.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H10 N4 O6 S -","- C2 H10 N4 O6 S -","- C16 H80 N32 O48 S8 -","8","1","BK1397","Chen, Tianlang; Xiao, Shenxiu; Zhong, Boyu; Stern, Charlotte L.; Ellis, Donald E.","Uronium sulfate, [OHC(NH~2~)~2~]~2~(SO~4~)","Acta Crystallographica Section C","1999","55","6","994","996","10.1107/S0108270198014619","","","0.7107","MoKα","","0.0411","0.023","","0.066","","0.034","","","2.217","","","2.44","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008526","13.702","0.003","14.167","0.003","10.598","0.002","90","","97.34","0.03","90","","2040.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 F3 Na2 O11 S2 -","- C13 H15 F3 Na2 O11 S2 -","- C52 H60 F12 Na8 O44 S8 -","4","1","BK1421","Wang, Feng; Qi, Yinghua; Chen, Tianlu; Xing, Yan; Lin, Yonghua; Xu, Jiping","Disodium 4,4'-difluoro-3,3'-carbonyldibenzenesulfonate hydrofluoride tetrahydrate","Acta Crystallographica Section C","1999","55","6","871","873","10.1107/S0108270198016710","","","0.71073","MoKα","","0.0553","0.0407","","0.1274","0.1216","","","","1.009","1.113","1.113","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008527","8.951","0.0018","10.8181","0.0016","16.585","0.003","77.735","0.014","81.298","0.016","73.906","0.015","1500.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Hexakis(imidazole)nickel(II) oxydiacetate ethanol solvate","","- C24 H34 N12 Ni O6 -","- C23.04 H30.6 N12 Ni O5.52 -","- C46.08 H61.2 N24 Ni2 O11.04 -","2","1","BK1429","Perec, Mireille; Baggio, Ricardo; Garland, Maria Teresa","Hexakis(imidazole-<i>N</i>^3^)nickel(II) oxydiacetate ethanol solvate","Acta Crystallographica Section C","1999","55","6","858","860","10.1107/S0108270199001420","","","0.71073","MoKα","","0.076","0.049","","","","0.147","","","","","","1.077","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008528","3.8724","0.0002","12.0839","0.0005","18.4079","0.0006","90","","91.412","0.002","90","","861.11","0.06","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","naphthalene-2,3-dicarbaldehyde","","- C12 H8 O2 -","- C12 H8 O2 -","- C48 H32 O8 -","4","1","BK1446","Britton, Doyle","Naphthalene-2,3-dicarbaldehyde","Acta Crystallographica Section C","1999","55","6","978","980","10.1107/S0108270199000840","","","0.71073","MoKα","","0.047","0.039","","0.108","0.101","","","","1.06","1.08","1.08","","","","","has coordinates","301791","2025-08-18","23:15:32",""
"2008529","12.922","0.002","13.914","0.002","14.263","0.006","65.05","0.02","73.3","0.03","64.59","0.01","2082.4","1","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H12 F3 N2 O8 Re S -","- C16 H8 F3 N2 O7.995 Re S -","- C64 H32 F12 N8 O31.98 Re4 S4 -","4","2","BK1449","Connick, William B.; Di Bilio, Angel J.; Schaefer, William P.; Gray, Harry B.","The red form of [Re(phen)(CO)~3~(H~2~O)]CF~3~SO~3~^.^H~2~O","Acta Crystallographica Section C","1999","55","6","913","916","10.1107/S0108270199001432","","","0.7107","MoKα","","0.058","0.058","","0.075","0.075","","","","1.66","1.66","1.66","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008530","11.148","0.002","14.47","0.01","11.08","0.01","110.13","0.06","96.85","0.03","81.97","0.04","1657","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetra-μ-[(2,6-dichlorophenyl)amino-phenyl(acetato-O,O')]-bis(acetone-O) -di-copper(II), acetaldeyde solvate","","- C64 H56 Cl8 Cu2 N4 O11 -","- C64 H56 Cl8 Cu2 N4 O11 -","- C64 H56 Cl8 Cu2 N4 O11 -","1","0.5","BM1274","Castellari, Carlo; Feroci, Giorgio; Ottani, Stefano","Diclofenac interactions: tetrakis[μ-2-(2,6-dichloroanilino)phenylacetato]-1:2κ^8^<i>O</i>:<i>O</i>'-diacetone-1κ<i>O</i>,2κ<i>O</i>-dicopper(II)(<i>Cu</i>—<i>Cu</i>) acetaldehyde solvate","Acta Crystallographica Section C","1999","55","6","907","910","10.1107/S0108270199002206","","","0.71069","MoKα","","0.137","0.042","","","","0.11","","","","","","0.902","","","","has coordinates,has disorder","301791","2025-08-18","23:15:32",""
"2008531","13.82","0.001","9.3728","0.0011","15.308","0.0012","90","","92.144","0.002","90","","1981.5","0.3","295","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cu I2 N2 O2 Zn -","- C17 H16 Cu I2 N2 O2 Zn -","- C68 H64 Cu4 I8 N8 O8 Zn4 -","4","1","BM1298","Ercan, Filiz; Arıcı, Cengiz; Ülkü, Dinçer; Atakol, Orhan; Aksu, Mecit","{[μ-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}diiodozinc(II)","Acta Crystallographica Section C","1999","55","6","930","932","10.1107/S0108270199002851","","","0.71073","MoKα","","","0.04","","","0.044","","","","","0.98","0.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008532","8.4341","0.0001","15.5112","0.0003","11.4293","0.0001","90","","90.397","0.001","90","","1495.18","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Ercan, Filiz; Arıcı, Cengiz; Ülkü, Dinçer; Atakol, Orhan; Aksu, Mecit","{[μ-Bis(salicylidene)-1,3-propanediaminato]copper(II)}diiodozinc(II)","Acta Crystallographica Section C","1999","55","","930","932","","","","","","","","","","","","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008533","14.835","0.002","7.157","0.003","14.971","0.003","90","","103.05","0.04","90","","1548.5","0.8","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Oleana-13(18), 15(16)-diene-3β, 28-diol diacetate","","- C34 H52 O4 -","- C34 H52 O4 -","- C68 H104 O8 -","2","1","BM1304","Bhattacharyya, Kinkini; Kar, Tanusree; Dutta, Pradeep Kumar; Bocelli, Gabriele; Righi, Lara","Dimethyl oleana-13(18),15(16)-diene-3β,28-diacetate","Acta Crystallographica Section C","1999","55","6","992","994","10.1107/S0108270199002255","","","1.54178","CuKα","","0.1122","0.0539","","0.1716","0.1247","","","","0.822","1.048","1.048","","","","","has coordinates,has disorder,has Fobs","301791","2025-08-18","23:15:33",""
"2008534","7.9607","0.0002","9.9649","0.0002","14.2553","0.0003","86.208","0.001","79.818","0.001","73.889","0.001","1069.14","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Acetyl-6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl 4-toluenesulfonate","","- C25 H24 O4 S -","- C25 H24 O4 S -","- C50 H48 O8 S2 -","2","1","BM1306","Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T.","2-Acetyl-6-phenyl-5,6,7,8-tetrahydro-1-naphthyl <i>p</i>-toluenesulfonate","Acta Crystallographica Section C","1999","55","6","944","946","10.1107/S0108270199001791","","","0.71073","MoKα","","0.123","0.07","","","","0.195","","","","","","1.014","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008535","10.412","0.001","8.516","0.001","21.556","0.001","90","","101.223","0.01","90","","1874.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-ethyl-5-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalene)-methynyl]- 2,4-triazolidindione","","- C20 H25 N O2 S -","- C20 H25 N O2 S -","- C80 H100 N4 O8 S4 -","4","1","BM1315","Bozdag-Dundar, Oya; Dundar, Burak; Buyukbingol, Erdem; Caira, Mino R","3-Ethyl-5-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthylmethylene)thiazolidine-2,4-dione","Acta Crystallographica Section C","1999","55","6","1027","1029","10.1107/S0108270199002267","","","0.71069","MoKα","","0.068","0.0521","","0.1674","","0.1516","","","1.049","","","1.093","","","","has coordinates,has disorder,has Fobs","301791","2025-08-18","23:15:33",""
"2008536","11.662","0.005","14.323","0.007","8.7","0.004","90","0.03","94.57","0.04","90","0.03","1448.6","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-phenylamide of 2-cyano-5-phenylpent-2-en-4-ynoic acid","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","BM1318","Borbulevych, Oleg Ya.; Golding, Igor R.; Kharitonkin, Andrey B.; Shishkin, Oleg V.; Gololobov, Yuriy G.","The <i>N</i>-phenylamide of 2-cyano-5-phenylpent-2-en-4-ynoic acid","Acta Crystallographica Section C","1999","55","6","1019","1020","10.1107/S0108270199002218","","","0.71073","MoKα","","0.1255","0.0487","","0.1521","","0.1131","","","0.86","","","1.092","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008537","9.529","0.002","16.354","0.005","13.719","0.005","90","","105.13","0.01","90","","2063.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(n-butyl)(dichloro)(2,2'-bipyridyl)tin(IV)","","- C18 H26 Cl2 N2 Sn -","- C18 H26 Cl2 N2 Sn -","- C72 H104 Cl8 N8 Sn4 -","4","1","BM1319","Jennifer Gill; Hans Parge; Christine J. Cardin; Chris Tsiamis; Constantin Kavounis","(2,2'-Bipyridyl-<i>N</i>,<i>N</i>')di-<i>n</i>-butyldichlorotin(IV)","Acta Crystallographica Section C","1999","55","6","875","876","10.1107/S010827019900325X","","","0.71073","MoKα","","0.065","0.054","","","","0.158","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008538","6.142","0.001","6.142","0.001","14.395","0.002","90","","90","","120","","470.29","0.13","295","2","295","2","","","","","","","","3","P 63 m c","P 6c -2c","186","","potassium oxo antimonide","","- K4 O3 Sb2 -","- K4 O3 Sb2 -","- K8 O6 Sb4 -","2","0.166667","BR1231","Tillard, Monique; Monconduit, Laure; Traber, Boris; Belin, Claude","K~4~Sb~2~O~3~ containing the Sb~2~O~3~^4-^ anion","Acta Crystallographica Section C","1999","55","6","833","835","10.1107/S0108270198018484","","","0.71073","MoKα","","0.086","0.048","","","","0.126","","","","","","1.133","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008539","7.274","0.0011","7.2911","0.0011","18.551","0.003","96.375","0.009","90.714","0.009","119.656","0.008","847.1","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","sodium tungsten oxide","","- Na5 O44 W14 -","- Na5 O44 W14 -","- Na5 O44 W14 -","1","0.5","BR1234","Triantafyllou, Spyros T.; Christidis, Panayiotis C.","Triclinic sodium tungsten oxide, Na~5~W~14~O~44~","Acta Crystallographica Section C","1999","55","6","838","841","10.1107/S0108270199002760","","","0.7107","MoKα","","0.09","0.063","","","","0.159","","","","","","1.004","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008540","5.221","0.001","9.983","0.001","7.388","0.001","90","","90.21","0.004","90","","385.07","0.1","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","sodium cobalt(II) phosphate","","- Co Na O4 P -","- Co Na O4 P -","- Co4 Na4 O16 P4 -","4","1","BR1238","Chippindale, Ann M.; Cowley, Andrew R.; Chen, Jiesheng; Gao, Qiuming; Xu, Ruren","A new modification of NaCoPO~4~ with the zeolite ABW structure","Acta Crystallographica Section C","1999","55","6","845","847","10.1107/S010827019900414X","","","0.71069","MoKα","","","0.0182","","","0.02","","","","","1.0847","1.0847","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008541","18.793","0.002","18.793","0.002","18.793","0.002","90","","90","","90","","6637.3","1.2","200","2","200","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C27 H36 Cl4 Fe2 N6 -","- C27 H36 Cl4 Fe2 N6 -","- C216 H288 Cl32 Fe16 N48 -","8","0.333333","CF1275","Alcock, Nathaniel W.; Zhang, Delong; Busch, Daryle H.","Tris(2-pyridylmethyl)triazacyclododecane complexes of Fe^II^ and Cu^II^","Acta Crystallographica Section C","1999","55","6","886","889","10.1107/S0108270198018381","","","0.71073","MoKα","","0.088","0.063","","0.173","0.157","","","","1.094","1.165","1.165","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008542","24.309","0.005","13.543","0.003","41.392","0.008","90","","90","","90","","13627","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H37.5 Cu F12 N6.5 P2 -","- C28 H27.988 Cu F12 N6.5 P2 -","- C448 H447.808 Cu16 F192 N104 P32 -","16","2","CF1275","Alcock, Nathaniel W.; Zhang, Delong; Busch, Daryle H.","Tris(2-pyridylmethyl)triazacyclododecane complexes of Fe^II^ and Cu^II^","Acta Crystallographica Section C","1999","55","6","886","889","10.1107/S0108270198018381","","","0.71073","MoKα","","0.124","0.066","","","","0.179","","","","","","0.842","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2008543","9.5694","0.001","12.0225","0.001","19.5555","0.001","103.82","0.01","91.434","0.01","110.249","0.01","2035.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","trans-carbonyl[η^2^-dihydrobis(pyrazol-1-yl)borato]hydridobis- (triphenylarsino)ruthenium(II) monohydrate","","- C43 H41 As2 B N4 O2 Ru -","- C43 H39 As2 B N4 O2 Ru -","- C86 H78 As4 B2 N8 O4 Ru2 -","2","1","CF1291","Huh, Seong; Kim, Youngmee; Park, Seongsoon; Park, Tae-Jin; Jun, Moo-Jin","<i>trans</i>-Carbonyl[η^2^-dihydrobis(pyrazol-1-yl-<i>N</i>^2^)borato]hydridobis(triphenylarsine)ruthenium(II) monohydrate","Acta Crystallographica Section C","1999","55","6","850","852","10.1107/S0108270199002279","","","0.71073","MoKα","","0.0778","0.0463","","","","0.1526","","","","","","1.118","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008544","6.377","0.002","6.972","0.003","10.514","0.016","90","","104.45","","90","","452.7","0.7","122","0.2","122","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-(+)-2-(4-Chlorophenoxy)propionic acid","","- C9 H9 Cl O3 -","- C9 H9 Cl O3 -","- C18 H18 Cl2 O6 -","2","1","CF1292","Henning Osholm Sørensen; André Collet; Sine Larsen","(<i>R</i>)-(+)-2-(4-Chlorophenoxy)propionic acid","Acta Crystallographica Section C","1999","55","6","953","956","10.1107/S0108270199002280","","","1.54184","CuKα","","0.022","0.022","","","","0.062","","","","","","1.048","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008545","7.898","0.002","10.188","0.003","7.064","0.002","95","0.02","92.92","0.02","105.17","0.02","544.9","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","μ-[N,N'-bis(3-aminopropyl)-oxamidato(2-)]-N,N',O':N'',N''',O-bis[(nitrato-O) (imidazole-N^3^)copper(II)]","","- C14 H24 Cu2 N10 O8 -","- C14 H24 Cu2 N10 O8 -","- C14 H24 Cu2 N10 O8 -","1","0.5","CF1295","Zhang, Cungen; Sun, Jie; Kong, Xiangfu; Zhao, Chengxue","An oxamidato-bridged binuclear imidazole–copper(II) complex","Acta Crystallographica Section C","1999","55","6","873","875","10.1107/S0108270199001110","","","0.7107","MoKα","","","0.027","","","","0.04","","","","","","1.65","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008546","5.2624","0.0009","8.8737","0.0014","14.518","0.003","82.455","0.015","85.847","0.018","89.393","0.012","670.3","0.2","290","1","290","1","","","","","","","","4","P 1","P 1","1","","(2S,4S,5R)-(-)-3,4-dimethyl-5-phenyl-2-(pyrrol-2-yl)-1,3- oxazolidine","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C30 H36 N4 O2 -","2","2","CF1298","Gallagher, John F.; Fitzsimons, Lavelle M.","Intermolecular N—H···O and C—H···O interactions form a two-dimensional network in (2<i>S</i>,4<i>S</i>,5<i>R</i>)-(–)-3,4-dimethyl-5-phenyl-2-(pyrrol-2-yl)-1,3-oxazolidine","Acta Crystallographica Section C","1999","55","6","1000","1003","10.1107/S0108270199002292","","","0.7107","MolybdenumKα","","0.078","0.052","","","","0.137","","","","","","1.004","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008547","7.281","0.002","16.084","0.007","12.849","0.006","90","","100.51","0.02","90","","1479.5","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro-bis[2-(2-hydroxymethyl)-1-methylimidazole-N^3^]zinc(II)","","- C10 H16 Cl2 N4 O2 Zn -","- C10 H16 Cl2 N4 O2 Zn -","- C40 H64 Cl8 N16 O8 Zn4 -","4","1","CF1299","Yang, Shi-Ping; Long, La-Sheng; Chen, Xiao-Ming; Ji, Liang-Nian","Dichlorobis(2-hydroxymethyl-1-methylimidazole-<i>N</i>^3^)zinc(II)","Acta Crystallographica Section C","1999","55","6","869","871","10.1107/S0108270199002309","","","0.71073","MoKα","","0.099","0.06","","","","0.166","","","","","","1.033","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008548","8.7836","0.0006","16.5431","0.0013","15.5118","0.0011","90","","93.117","0.006","90","","2250.7","0.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","8b,8c-dibenzoyl-4b,8b,8c,8d-tetrahydrodibenzo[a,f]cyclopropa[cd]pentalene-4b -carbaldehyde","","- C31 H20 O3 -","- C31 H20 O3 -","- C124 H80 O12 -","4","1","DA1047","Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V.","Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes","Acta Crystallographica Section C","1999","55","6","996","1000","10.1107/S0108270199000487","","","1.54178","CuKα","","0.078","0.057","","","","0.175","","","","","","1.073","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008549","9.0656","0.0015","8.779","0.003","29.758","0.005","90","","94.672","0.013","90","","2360.5","1","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4b-acetyl-8b,8c-dibenzoyl-4b,8b,8c,8d- tetrahydrodibenzo[a,f]cyclopropa[cd]pentalene","","- C32 H22 O3 -","- C32 H22 O3 -","- C128 H88 O12 -","4","1","DA1047","Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V.","Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes","Acta Crystallographica Section C","1999","55","6","996","1000","10.1107/S0108270199000487","","","0.71073","MoKα","","0.22","0.077","","","","0.184","","","","","","1.04","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008550","16.8684","0.0001","15.3955","0.0001","17.52","0.0002","90","","90","","90","","4549.9","0.07","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8b,8c-dibenzoyl-4b-nitro-4b,8b,8c,8d- tetrahydrodibenzo[a,f]cyclopropa[cd]pentalene","","- C30 H19 N O4 -","- C30 H19 N O4 -","- C240 H152 N8 O32 -","8","1","DA1047","Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V.","Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes","Acta Crystallographica Section C","1999","55","6","996","1000","10.1107/S0108270199000487","","","0.71073","MoKα","","0.061","0.045","","","","0.11","","","","","","1.056","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008551","16.6439","0.0006","17.9178","0.0008","8.3487","0.0003","90","","94.963","0.005","90","","2480.43","0.17","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","10c-benzoyl-6b-tert-butyl-2-phenyl-10b,10c-dihydro-6bH-dibenzo[a,f]furo[2,3,4- cd]pentalene","","- C34 H28 O2 -","- C34 H28 O2 -","- C136 H112 O8 -","4","1","DA1047","Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V.","Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes","Acta Crystallographica Section C","1999","55","6","996","1000","10.1107/S0108270199000487","","","1.54178","CuKα","","0.05","0.042","","","","0.124","","","","","","1.062","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008552","5.925","0.002","8.321","0.001","16.126","0.003","103.41","0.01","98.85","0.02","99.51","0.02","747.3","0.3","293","2","300","","","","","","","","","4","P -1","-P 1","2","Indole","Ethyl 1-2'-Cyanoethyl-3,5-Dimethyl-2-Indolecarboxylate","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C32 H36 N4 O4 -","2","1","DA1055","T. N. Chandrakantha; Puttaraja; M. K. Kokila; N. C. Shivaprakash","Ethyl 1-(2-cyanoethyl)-3,5-dimethyl-1<i>H</i>-indole-2-carboxylate","Acta Crystallographica Section C","1999","55","6","990","992","10.1107/S0108270199001973","","","1.5418","CuKα","","0.0855","0.0636","","0.1824","0.1476","","","","1.101","1.134","1.134","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008553","8.401","0.001","10.704","0.001","9.325","0.001","90","","104.96","0.01","90","","810.12","0.15","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(trigonelline)-dichlorocopper(II)","","- C14 H14 Cl2 Cu N2 O4 -","- C14 H14 Cl2 Cu N2 O4 -","- C28 H28 Cl4 Cu2 N4 O8 -","2","0.5","DA1057","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Hideaki, Matsushima; Tokii, Tadashi","A monomeric and a dimeric copper(II) trigonelline adduct with chloride, and a dimeric copper(II) 1-methyl-2-pyrrolecarboxylate adduct with 3-methylpyridine","Acta Crystallographica Section C","1999","55","6","882","886","10.1107/S0108270199001985","","","0.71073","MoKα","","","0.044","","","0.045","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008554","10.156","0.002","13.883","0.002","7.793","0.001","99.4","0.01","109.29","0.01","75.57","0.01","1000.4","0.3","299","","","","","","","","","","","6","P -1","-P 1","2","","Tetrakis(μ-trigonelline-O,O')-dichlorocopper(II) dichloride octahydrate","","- C28 H44 Cl4 Cu2 N4 O16 -","- C28 H44 Cl4 Cu2 N4 O16 -","- C28 H44 Cl4 Cu2 N4 O16 -","1","0.5","DA1057","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Hideaki, Matsushima; Tokii, Tadashi","A monomeric and a dimeric copper(II) trigonelline adduct with chloride, and a dimeric copper(II) 1-methyl-2-pyrrolecarboxylate adduct with 3-methylpyridine","Acta Crystallographica Section C","1999","55","6","882","886","10.1107/S0108270199001985","","","0.71073","MoKα","","","0.043","","","0.043","","","","","1.48","1.48","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008555","10.431","0.002","17.795","0.003","10.685","0.002","90","","114.4","0.01","90","","1806.2","0.6","299","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetrakis(μ-1-methylpyrrole-2-carboxylato-O,O')-dipyridinecopper(II)","","- C36 H38 Cu2 N6 O8 -","- C36 H38 Cu2 N6 O8 -","- C72 H76 Cu4 N12 O16 -","2","0.5","DA1057","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Hideaki, Matsushima; Tokii, Tadashi","A monomeric and a dimeric copper(II) trigonelline adduct with chloride, and a dimeric copper(II) 1-methyl-2-pyrrolecarboxylate adduct with 3-methylpyridine","Acta Crystallographica Section C","1999","55","6","882","886","10.1107/S0108270199001985","","","0.71073","MoKα","","","0.052","","","0.043","","","","","1.26","1.26","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008556","9.849","0.002","10.8","0.002","25.682","0.003","90","0.01","90","0.01","90","0.01","2731.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2^'^,3^'^,5^'^-Tri-O-Benzoylinosine","","- C31 H24 N4 O8 -","- C31 H24 N4 O8 -","- C124 H96 N16 O32 -","4","1","DE1094","S.Kolappan; T. Parthasarathy Seshadri","2',3',5'-Tri-<i>O</i>-benzoylinosine","Acta Crystallographica Section C","1999","55","6","986","987","10.1107/S0108270198014668","","","1.5418","CuKα","","0.0456","0.0327","","","","0.1167","","","","","","0.691","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008557","9.296","0.002","10.524","0.003","11.044","0.003","113.89","0.02","100.15","0.02","109.75","0.02","866.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-acetyl-5-(2-chlorophenyl)-3-(2-chlorostyryl)-2-pyrazoline","","- C19 H16 Cl2 N2 O -","- C19 H16 Cl2 N2 O -","- C38 H32 Cl4 N4 O2 -","2","1","DE1102","R. V. Krishnakumar; S. Natarajan; V. Vijayabaskar; S. Perumal; S. Selvaraj","1-Acetyl-5-(4-methoxyphenyl)-3-(4-methoxystyryl)-2-pyrazoline and 1-acetyl-5-(2-chlorophenyl)-3-(2-chlorostyryl)-2-pyrazoline","Acta Crystallographica Section C","1999","55","6","987","990","10.1107/S0108270199000712","","","0.71073","MoKα","","0.101","0.067","","","","0.15","","","","","","1.232","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008558","5.72","0.001","12.085","0.004","26.654","0.004","90","","91.78","0.02","90","","1841.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-acetyl-5-(4-methoxyphenyl)-3-(4-methoxystyryl)-2-pyrazoline","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","DE1102","R. V. Krishnakumar; S. Natarajan; V. Vijayabaskar; S. Perumal; S. Selvaraj","1-Acetyl-5-(4-methoxyphenyl)-3-(4-methoxystyryl)-2-pyrazoline and 1-acetyl-5-(2-chlorophenyl)-3-(2-chlorostyryl)-2-pyrazoline","Acta Crystallographica Section C","1999","55","6","987","990","10.1107/S0108270199000712","","","1.5418","CuKα","","0.049","0.043","","","","0.127","","","","","","1.138","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008559","4.586","0.002","12.843","0.004","9.767","0.001","90","","133.98","0.02","90","","413.9","0.3","296.2","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C2 H4 N4 -","- C2 H4 N4 -","- C8 H16 N16 -","4","1","DE1103","Ohno, Yoshio; Akutsu, Yoshiaki; Arai, Mitsuru; Tamura, Masamitsu; Takehiro Matsunaga","5-Methyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","1999","55","6","1014","1016","10.1107/S0108270199002437","","","0.7107","MoKα","","","0.04","","","","0.052","","","","","","1.859","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008560","6.069","0.007","7.829","0.002","13.455","0.003","90","","91.76","0.03","90","","639","0.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethylene bis(dimethyldithiocarbamate)","","- C8 H16 N2 S4 -","- C8 H16 N2 S4 -","- C16 H32 N4 S8 -","2","0.5","FG1520","Jian Fangfang; Zhu Dunru; Fun Hoong-Kun; Kandasamy Chinnakali; Ibrahim Abdul Razak; You Xiaozeng","Ethylene bis(dimethyldithiocarbamate) and butane-1,4-diyl bis(dimethyldithiocarbamate)","Acta Crystallographica Section C","1999","55","6","940","942","10.1107/S0108270198016370","","","0.71073","MoKα","","0.0687","0.041","","","","0.0954","","","","","","1.043","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008561","7.4875","0.0001","7.4424","0.0002","13.7568","0.0003","90","","97.536","0.001","90","","759.98","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Butylene bis(dimethyldithiocarbamate)","","- C10 H20 N2 S4 -","- C10 H20 N2 S4 -","- C20 H40 N4 S8 -","2","0.5","FG1520","Jian Fangfang; Zhu Dunru; Fun Hoong-Kun; Kandasamy Chinnakali; Ibrahim Abdul Razak; You Xiaozeng","Ethylene bis(dimethyldithiocarbamate) and butane-1,4-diyl bis(dimethyldithiocarbamate)","Acta Crystallographica Section C","1999","55","6","940","942","10.1107/S0108270198016370","","","0.71073","MoKα","","0.0309","0.0268","","","","0.0754","","","","","","1.103","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008562","6.2578","0.0005","16.352","0.001","14.819","0.001","90","","91.255","0.001","90","","1516.03","0.18","296","1","296","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H24 Co N2 O14 P2 -","- C2 H22 Co N2 O14 P2 -","- C8 H88 Co4 N8 O56 P8 -","4","1","FR1152","Yongkui Shan; Songping D. Huang","(C~2~H~10~N~2~)[Co(H~2~O)~6~](HPO~4~)~2~: a supramolecular three-dimensional hydrogen-bonding network","Acta Crystallographica Section C","1999","55","6","921","923","10.1107/S0108270199001584","","","0.7107","MoKα","","0.061","0.034","","0.051","","0.044","","","1.024","","","1.09","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008563","8.9034","0.0012","10.0168","0.0011","16.709","0.0012","73.579","0.002","74.837","0.003","65.376","0.002","1281.6","0.2","295","","","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H23 Cu I2 N3 O2 Zn -","- C24 H21 Cu I2 N3 O2 Zn -","- C48 H42 Cu2 I4 N6 O4 Zn2 -","2","1","FR1157","Ercan, Filiz; Arıcı, Cengiz; Akay, Abdülkadir; Atakol, Orhan; Ülkü, Dinc̨er","{[μ-Bis(salicylidene)-1,3-propanediaminato]-(3-methylpyridine)copper(II)}diiodozinc(II)","Acta Crystallographica Section C","1999","55","6","925","928","10.1107/S0108270199003273","","","0.71073","MoKα","","","0.032","","","0.039","","","","","0.92","0.92","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008564","8.2202","0.0003","18.2074","0.0006","11.9429","0.0004","90","","93.079","0.001","90","","1784.9","0.11","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aminoguanidinium (N,N'-ethylenediaminetetraacetato)antimonate(III) hydrate","","- C11 H21 N6 O9 Sb -","- C11 H21 N6 O9 Sb -","- C44 H84 N24 O36 Sb4 -","4","1","FR1177","Hoong-Kun Fun; S. Shanmuga Sundara Raj; Abdul Razak, Ibrahim; Ilyukhin, Andrey B.; Davidovich, Ruven L.; Huang, Jing-Wei; Hu, Sheng-Zhi; Ng, Seik Weng","Aminoguanidinium (ethylenediamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraacetato)antimonate(III) monohydrate","Acta Crystallographica Section C","1999","55","6","905","907","10.1107/S0108270199002310","","","0.71073","MoKα","","0.026","0.021","","","","0.051","","","","","","1.087","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008565","6.8822","0.0008","8.9557","0.001","11.0364","0.0012","98.765","0.002","92.365","0.002","98.66","0.002","663.18","0.13","293","","","","","","","","","","","5","P -1","-P 1","2","","4-Methoxybenzaldehyde-(pentafluorophenylmethylidene)hydrazone","","- C15 H9 F5 N2 O -","- C15 H9 F5 N2 O -","- C30 H18 F10 N4 O2 -","2","1","FR1178","Lewis, Michael; Barnes, Charles L.; Hathaway, Bruce A.; Glaser, Rainer","4-Methoxybenzaldehyde pentafluorophenylmethylidenehydrazone","Acta Crystallographica Section C","1999","55","6","975","978","10.1107/S0108270199002541","","","0.7093","MolybdenumKα","","","0.058","","","","0.075","","","","","","1.19","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008566","11.1445","0.0007","11.7843","0.0007","14.0877","0.0009","90","","95.819","0.001","90","","1840.6","0.2","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N2 P -","- C23 H19 N2 P -","- C92 H76 N8 P4 -","4","1","","Filippo Minutolo; Scott R. Wilson; John A. Katzenellenbogen","Crystallographic evidence for the electronic distribution in (2,4-cyclopentadien-1-ylidenehydrazono)triphenylphosphorane","Acta Crystallographica Section C","1999","55","6","1016","1016","","","","","","","","0.033","","","0.0651","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008567","8.438","0.002","27.496","0.001","4.894","0.001","90","","117.38","0.02","90","","1008.3","0.4","296","","296","","","","","","","","","4","C 1 c 1","C -2yc","9","quinolinium-4-carboxylate dihydrate","","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","1","FR1183","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding in quinolinium-4-carboxylate dihydrate","Acta Crystallographica Section C","1999","55","6","935","937","10.1107/S0108270199002565","","","0.71073","MoKα","","","0.032","","","0.055","","","","","1.85","1.85","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008568","7.714","0.002","17.848","0.002","6.91","0.002","90","","107.34","0.02","90","","908.1","0.4","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","naphthalene-1,2-dicarboxylic anhydride","","","- C12 H6 O3 -","- C12 H6 O3 -","- C48 H24 O12 -","4","1","FR1187","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Network of C—H···O interactions in 1,2-naphthalenedicarboxylic anhydride","Acta Crystallographica Section C","1999","55","6","937","940","10.1107/S0108270199002577","","","0.71073","MoKα","","","0.045","","","","0.052","","","","","","1.62","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008569","7.937","0.003","37.789","0.004","9.696","0.003","90","","90","","90","","2908.1","1.5","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","dipotassium naphthalene-1,8-dicarboxylate.potassium bicarbonate","","","- C13 H7 K3 O7 -","- C13 H7 K3 O7 -","- C104 H56 K24 O56 -","8","1","FR1190","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Dipotassium naphthalene-1,8-dicarboxylate‒potassium bicarbonate","Acta Crystallographica Section C","1999","55","6","918","921","10.1107/S0108270199002966","","","0.71073","MoKα","","","0.044","","","","0.074","","","","","","1.35","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008570","8.8712","0.0018","10.2642","0.0012","14.4412","0.0009","98.78","0.005","92.483","0.009","104.804","0.014","1251.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","aquachloro(1-ethyl-1,4-dihydro-4-oxo-1,3-dioxolo[4,5-g]cinnoline-3-carboxylato- O^3^,O^4^)(1-ethyl-1,4-dihydro-4-oxo-1,3-dioxolo[4,5-g]cinnoline-3-carboxylic acid-O^3^,O^4^)copper(II)","","- C24 H21 Cl Cu N4 O11 -","- C24 H21 Cl Cu N4 O11 -","- C48 H42 Cl2 Cu2 N8 O22 -","2","1","GD1017","Ruíz, Monica; Ortiz, Rosa; Perelló, Lourdes; Alfonso Castiñeiras","[CuCl(C~12~H~9~N~2~O~5~)(C~12~H~10~N~2~O~5~)(H~2~O)]","Acta Crystallographica Section C","1999","55","6","878","880","10.1107/S0108270199001122","","","1.54184","CuKα","","0.057","0.041","","","","0.12","","","","","","1.08","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008571","12.694","0.005","16.353","0.005","11.122","0.003","90","","90","","90","","2308.8","1.3","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Rubidium molybdyl arsenate","","- As Mo O6 Rb -","- As Mo O6 Rb -","- As16 Mo16 O96 Rb16 -","16","0.5","GS1008","Zid, Mohamed Faouzi; Jouini, Tahar","RbMoO~2~AsO~4~","Acta Crystallographica Section C","1999","55","6","843","845","10.1107/S0108270198016102","","","0.71069","MoKα","","0.0335","0.024","","0.0674","0.0553","","","","1.173","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008572","5.763","0.001","10.153","0.002","12.022","0.002","83.37","0.01","86.46","0.01","78.83","0.01","684.9","0.2","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 O S -","- C16 H18 O S -","- C32 H36 O2 S2 -","2","1","GS1033","Zukerman-Schpector, J.; Gruber, Jonas; Camilo, Fernanda Ferraz","Two new 2,3-substituted 5-norbornenes","Acta Crystallographica Section C","1999","55","6","980","983","10.1107/S010827019900236X","","","0.71073","MoKα","","0.103","0.042","","","","0.115","","","","","","1.019","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008573","9.763","0.001","12.097","0.002","12.164","0.001","90","","107.292","0.008","90","","1371.7","0.3","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O3 S -","- C15 H15 N O3 S -","- C60 H60 N4 O12 S4 -","4","1","GS1033","Zukerman-Schpector, J.; Gruber, Jonas; Camilo, Fernanda Ferraz","Two new 2,3-substituted 5-norbornenes","Acta Crystallographica Section C","1999","55","6","980","983","10.1107/S010827019900236X","","","0.71073","MoKα","","0.15","0.05","","","","0.165","","","","","","1.039","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008574","7.7541","0.0013","14.4655","0.0019","31.108","0.005","90","","90","","90","","3489.3","0.9","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","(2S,3S)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9H-purin-9-yl)oxolane","","- C18 H19 Cl N4 O2 -","- C18 H19 Cl N4 O2 -","- C144 H152 Cl8 N32 O16 -","8","1","GS1035","George Balayiannis; Ioannis Argiris; Dionissios Papaioannou; Constantin Kavounis","(2<i>S</i>,3<i>S</i>)- and (2<i>R</i>,3<i>S</i>)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9<i>H</i>-purin-9-yl)oxolane","Acta Crystallographica Section C","1999","55","6","1005","1008","10.1107/S0108270199002784","","","0.71069","MoKα","","0.073","0.044","","","","0.127","","","","","","1.018","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008575","7.5238","0.0005","10.9972","0.0008","20.9169","0.0019","90","","90","","90","","1730.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2R,3S)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9H-purin-9-yl)oxolane","","- C18 H19 Cl N4 O2 -","- C18 H19 Cl N4 O2 -","- C72 H76 Cl4 N16 O8 -","4","1","GS1035","George Balayiannis; Ioannis Argiris; Dionissios Papaioannou; Constantin Kavounis","(2<i>S</i>,3<i>S</i>)- and (2<i>R</i>,3<i>S</i>)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9<i>H</i>-purin-9-yl)oxolane","Acta Crystallographica Section C","1999","55","6","1005","1008","10.1107/S0108270199002784","","","0.71069","MoKα","","0.105","0.053","","","","0.137","","","","","","1.027","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008576","10.045","0.003","14.347","0.005","15.606","0.006","99.24","0.02","100.22","0.02","108.76","0.02","2037.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(3,3'-dimethylene-2,2'-biquinoline)bromotricarbonylrhenium(I)","","- C23 H14 Br N2 O3 Re -","- C23 H14 Br N2 O3 Re -","- C92 H56 Br4 N8 O12 Re4 -","4","2","HA1240","Juan Guerrero; Sergio A. Moya; María Teresa Garland; Ricardo F. Baggio","Bromotricarbonyl(3,3'-dimethylene-2,2'-biquinoline)rhenium(I)","Acta Crystallographica Section C","1999","55","6","932","934","10.1107/S0108270198017181","","","0.71073","MoKα","","0.059","0.036","","","","0.077","","","","","","1.064","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008577","6.88","0.0008","13.8033","0.0009","29.389","0.002","90","0.01","90","0.01","90","0.01","2791","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Olean-12-en[2,3-d]isoxazole-28-oic acid methyl ester","","- C32 H47 N O3 -","- C32 H47 N O3 -","- C128 H188 N4 O12 -","4","1","JZ1306","Gzella, Andrzej; Linkowska, Ewa; Zaprutko, Lucjusz; Wrzeciono, Urszula","Triterpenoide. XIV. [2,3-<i>d</i>]Isoxazoltriterpenderivate","Acta Crystallographica Section C","1999","55","6","1031","1034","10.1107/S010827019900013X","","","1.54178","CuKα","","0.0398","0.0353","","0.1034","0.0994","","","","1.035","1.036","1.036","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008578","6.5284","0.001","30.614","0.002","13.5481","0.001","90","0.01","101.31","0.01","90","0.01","2655.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","19β,28-Epoxy-18Hα-oleanan[2,3-d]isoxazole","","- C31 H47 N O2 -","- C31 H47 N O2 -","- C124 H188 N4 O8 -","4","2","JZ1306","Gzella, Andrzej; Linkowska, Ewa; Zaprutko, Lucjusz; Wrzeciono, Urszula","Triterpenoide. XIV. [2,3-<i>d</i>]Isoxazoltriterpenderivate","Acta Crystallographica Section C","1999","55","6","1031","1034","10.1107/S010827019900013X","","","1.54178","CuKα","","0.0481","0.0361","","0.1045","0.0997","","","","1.003","1.023","1.023","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008579","6.425","0.001","7.895","0.001","21.883","0.002","90","","95.5","0.01","90","","1104.9","0.2","293","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,2R,3S,4S,5S,6S)-exo-3-[(S)-1,2-dibenzyloxyethyl]-exo-2-cyano-endo-6- hydroxy-exo-5-iodobicyclo[2.2.1]heptane-endo-2-carboxylic Acid Lactone.","","- C25 H24 I N O4 -","- C25 H24 I N O4 -","- C50 H48 I2 N2 O8 -","2","1","JZ1323","Alías, Miriam; Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.","(1<i>R</i>,2<i>R</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>,6<i>S</i>)-<i>exo</i>-2-Cyano-<i>exo</i>-3-[(<i>S</i>)-1,2-dibenzyloxyethyl]-<i>exo</i>-5-iodobicyclo[2.2.1]heptane-<i>endo</i>-2,6-carbolactone","Acta Crystallographica Section C","1999","55","6","1009","1012","10.1107/S010827019900222X","","","0.71073","MoKα","","","0.0384","","","","0.0969","","","","","","1.017","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008580","10.503","0.001","13.889","0.002","10.678","0.001","90","","90.68","0.02","90","","1557.6","0.3","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cyclo-tri-μ-methoxo-tris(dichloroaluminium)","","- C3 H9 Al3 Cl6 O3 -","- C3 H9 Al3 Cl6 O3 -","- C12 H36 Al12 Cl24 O12 -","4","1","KA1308","Gelbrich, Thomas","A trimeric aluminium alkoxide: methoxyaluminium dichloride","Acta Crystallographica Section C","1999","55","6","856","858","10.1107/S0108270199000505","","","0.71073","MoKα","","0.066","0.034","","","","0.099","","","","","","1.019","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008581","15.21","0.002","5.539","0.0006","17.192","0.002","90","","134.45","0.01","90","","1034","0.3","291","","291","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,3,5,6-tetraphenylpyrazine (α form)","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","0.5","LN1076","Bartnik, Romuald; Faure, René; Gebicki, Krzysztof","Dimorphism of 2,3,5,6-tetraphenylpyrazine","Acta Crystallographica Section C","1999","55","6","1034","1037","10.1107/S0108270199002450","","","1.54056","CuKα","","","0.06","","","0.137","","","","","","","1.9","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008582","18.654","0.003","23.509","0.002","9.576","0.001","90","","92.18","0.01","90","","4196.4","0.9","291","","291","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,3,5,6-tetraphenylpyrazine (β form)","","- C28 H20 N2 -","- C28 H20 N2 -","- C224 H160 N16 -","8","1","LN1076","Bartnik, Romuald; Faure, René; Gebicki, Krzysztof","Dimorphism of 2,3,5,6-tetraphenylpyrazine","Acta Crystallographica Section C","1999","55","6","1034","1037","10.1107/S0108270199002450","","","1.54056","CuKα","","","0.057","","","0.077","","","","","","","1.24","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008583","7.904","0.005","8.899","0.006","9.335","0.007","108.26","0.04","112.63","0.03","91.41","0.03","567.6","0.7","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","catena-poly[[bis[μ-(2,6-dimethylpiperidinido)-N:N]dilithium]-μ-(N,N,N',N'- tetramethylethylenediamine-N:N')]","","- C20 H44 Li2 N4 -","- C20 H44 Li2 N4 -","- C20 H44 Li2 N4 -","1","0.5","LN1078","Clegg, William; Horsburgh, Lynne; Couper, Scott A.; Mulvey, Robert E.","<i>catena</i>-Poly[[bis(μ-2,6-dimethylpiperidinido-<i>N</i>:<i>N</i>)dilithium]-μ-(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-<i>N</i>:<i>N</i>')]","Acta Crystallographica Section C","1999","55","6","867","869","10.1107/S0108270199001171","","","0.71073","MoKα","","0.05","0.038","","","","0.109","","","","","","1.027","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008584","9.733","0.003","17.579","0.004","13.016","0.003","90","","97.12","0.02","90","","2209.8","1","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Mo N2 -","- C22 H32 Mo N2 -","- C88 H128 Mo4 N8 -","4","1","LN1081","Clegg, William; Elsegood, Mark R. J.; Dyer, Philip W.; Gibson, Vernon C.; Marshall, Edward L.","Dibenzylbis(<i>tert</i>-butylimido)molybdenum(VI), containing both η^1^- and η^2^-benzyl ligands","Acta Crystallographica Section C","1999","55","6","916","918","10.1107/S0108270199003510","","","0.71073","MoKα","","0.02","0.018","","","","0.051","","","","","","1.086","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008585","9.003","0.005","12.699","0.003","20.522","0.008","90","","90","","90","","2346.3","1.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","melaniline","N,N' diphenyl guanidine","","- C13 H13 N3 -","- C13 H13 N3 -","- C104 H104 N24 -","8","2","NA1391","Paixão, J. A.; Matos Beja, A.; Pereira Silva, P. S.; Ramos Silva, M.; Alte da Veiga, L.","A new orthorhombic phase of <i>N</i>,<i>N</i>'-diphenylguanidine","Acta Crystallographica Section C","1999","55","6","1037","1040","10.1107/S0108270199002462","","","0.71073","MoKα","","0.0628","0.0364","","","","0.1094","","","","","","1.03","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008586","15.67","0.004","10.556","0.002","12.258","0.004","90","","96.1","0.01","90","","2016.1","0.9","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(2R,3R)-5-(N-benzyl-N-methylamino)-2-[N-(4-methoxyphenyl)carbamoyl]-4-nitro-2-phenyl-2,3-dihydro-3-thienyl]-1,2,3,4,5-penta-O-acetyl-D-manno-pentitol","","- C41 H45 N3 O14 S -","- C41 H45 N3 O14 S -","- C82 H90 N6 O28 S2 -","2","1","NA1392","María Jesús Diánez; María Dolores Estrada; Amparo López-Castro; Simeón Pérez-Garrido","Study of a diastereoisomeric dihydrothiophene derivative at 150K","Acta Crystallographica Section C","1999","55","6","1020","1023","10.1107/S010827019900102X","","","0.71073","MoKα","","0.047","0.042","","0.124","0.119","","","","1.047","1.054","1.054","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008587","7.32","0.004","20.15","0.005","10.448","0.003","90","","103.33","0.04","90","","1499.5","1","299","3","299","3","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Disodium hexaaquacobalt(II) dihydrogen 1,2,4,5-benzenetetracarboxylate(2-) tetrahydrate","","- C20 H28 Co Na2 O26 -","- C20 H28 Co Na2 O26 -","- C40 H56 Co2 Na4 O52 -","2","0.25","NA1397","Karanović, Ljiljana; Poleti, Dejan; Bogdanović, Goran A.; Spasojević-de Biré, Anne","Disodium hexaaquacobalt(II) bis[dihydrogen 1,2,4,5-benzenetetracarboxylate(2 ‒)] tetrahydrate","Acta Crystallographica Section C","1999","55","6","911","913","10.1107/S0108270199002498","","","0.71069","MoKα","","0.057","0.045","","0.1207","","0.1159","","","0.945","","","0.987","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008588","5.4931","0.0001","22.2521","0.0003","11.035","0.0002","90","","104.23","0.001","90","","1307.45","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-hydroxy-8-iodo-4-methyl-7,8,9,10-tetrahydro-7,8-benzocoumarin","","- C14 H13 I O3 -","- C14 H13 I O3 -","- C56 H52 I4 O12 -","4","1","NA1400","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan","9-Hydroxy-8-iodo-4-methyl-7,8,9,10-tetrahydrobenzo[<i>h</i>]coumarin","Acta Crystallographica Section C","1999","55","6","946","948","10.1107/S0108270199002036","","","0.71073","MoKα","","0.06","0.053","","","","0.151","","","","","","1.208","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008589","13.6977","0.0005","19.8307","0.0008","12.7594","0.0008","90","","90","","90","","3465.9","0.3","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(1S,3R)-Carpropamide","","","- C15 H18 Cl3 N O -","- C15 H18 Cl3 N O -","- C120 H144 Cl24 N8 O8 -","8","2","NA1401","Koketsu, Mamoru; Kagabu, Shinzo; Matsuoka, Masashi","Absolute configuration of the active stereoisomer of new rice fungicide Carpropamid","Acta Crystallographica Section C","1999","55","6","1025","1027","10.1107/S0108270199002504","","","0.7107","MoKα","","0.0952","0.0552","","","","0.0671","","","","","","1.484","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008590","7.3993","0.0002","8.9006","0.0002","11.7469","0.0003","101.651","0.001","100.54","0.001","93.448","0.001","741.11","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Chloro(di-2-pyridylamine-N,N')(propionato-O,O')copper(II) Monohydrate","","- C13 H16 Cl Cu N3 O3 -","- C13 H16 Cl Cu N3 O3 -","- C26 H32 Cl2 Cu2 N6 O6 -","2","1","NA1404","Sujittra Youngme; Kandasamy Chinnakali; Suchada Chantrapromma; Hoong-Kun Fun","Chloro(di-2-pyridyl-κ<i>N</i>-amine)(propionato-κ^2^<i>O</i>,<i>O</i>')copper(II) monohydrate","Acta Crystallographica Section C","1999","55","6","899","901","10.1107/S0108270199002048","","","0.71073","MoKα","","0.037","0.031","","","","0.087","","","","","","1.045","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008591","13.088","0.001","8.765","0.001","18.717","0.001","90","","97.77","0.01","90","","2127.4","0.3","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H72 N12 P4 -","- C34 H72 N12 P4 -","- C68 H144 N24 P8 -","2","0.5","NA1406","Hökelek, Tuncer; Kılıç, Emine; Kılıç, Zeynel","<i>trans</i>-2,6-Bis(ethylamino)-2,4,4,6,8,8-hexapiperidinocyclo-2λ^5^,4λ^5^,6λ^5^,8λ^5^-tetraphosphazatetraene","Acta Crystallographica Section C","1999","55","6","983","985","10.1107/S0108270199002474","","","0.71073","MoKα","","","0.037","","","","0.053","","","","","","1.2","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008592","15.578","0.001","22.428","0.001","19.406","0.001","90","","108.83","0.01","90","","6417.3","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(2'-formylphenyl)-1,4-dioxabutane S-methylbenzyl dithiocarbazate Cobalt(II)","","- C32 H28 Co N4 O2 S4 -","- C32 H28 Co N4 O2 S4 -","- C256 H224 Co8 N32 O16 S32 -","8","1","NA1408","Hoong-Kun Fun; S. Shanmuga Sundara Raj; Xu-Hui Zhu; Xiao-Feng Chen; Jing-Lin Zuo; Xiao-Zeng You","A neutral cobalt(II) complex of a Schiff base ligand containing mixed O~2~S~2~N~2~ donors","Acta Crystallographica Section C","1999","55","6","896","899","10.1107/S0108270199001602","","","0.71073","MoKα","","0.133","0.059","","0.109","","0.087","","","1.036","","","1.145","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008593","7.3875","0.0002","12.4718","0.0003","14.8382","0.0004","90","","96.727","0.001","90","","1357.71","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","p-Methoxybenzaldehyde Isonicotinoyl Hydrazone Monohydrate","","- C14 H15 N3 O3 -","- C14 H15 N3 O3 -","- C56 H60 N12 O12 -","4","1","NA1409","S.Shanmuga Sundara Raj; Hoong-Kun Fun; Zhong-Lin Lu; Wen Xiao; Ye-Xiang Tong; Bei-Sheng Kang","<i>p</i>-Methoxybenzaldehyde isonicotinoylhydrazone monohydrate","Acta Crystallographica Section C","1999","55","6","942","944","10.1107/S0108270199002486","","","0.71073","MoKα","","0.0722","0.0485","","","","0.1413","","","","","","1.056","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008594","18.46","0.004","6.552","0.0005","32.603","0.007","90","","103.34","0.01","90","","3836.9","1.2","208","2","208","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","tetraphenylphosphonium tetra(1-methyl-1,2,3,4-tetrazol-5-thiolato)aurate(III)","","- C32 H33 Au N16 O0.5 P S4 -","- C32 H33 Au N16 O0.5 P S4 -","- C128 H132 Au4 N64 O2 P4 S16 -","4","0.5","NA1415","Schulz Lang, Ernesto; Dahmer, Marisa; Abram, Ulrich","Tetraphenylphosphonium tetrakis(1-methyl-1,2,3,4-tetrazole-5-thiolato-<i>S</i>)aurate(III) hemihydrate","Acta Crystallographica Section C","1999","55","6","854","856","10.1107/S0108270199004357","","","0.71073","MoKα","","0.043","0.024","","","","0.06","","","","","","1.056","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008595","7.208","0.002","6.291","0.004","14.432","0.005","90","","104.04","0.02","90","","634.9","0.5","293","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","3-(2'-hydroxyphenylamino)-5,5-dimethyl-2-cyclohexenone","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C28 H34 N2 O4 -","2","1","NA1416","Héctor Novoa de Armas; Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter; Margarita Suárez Navarro; Yamila Verdecia Reyes; Estael Ochoa Rodríguez; Esperanza Salfrán Solano","3-(2-Hydroxyphenylamino)-5,5-dimethylcyclohex-2-enone","Acta Crystallographica Section C","1999","55","6","1029","1031","10.1107/S0108270199004369","","","1.54184","CuKα","","0.044","0.043","","0.133","","0.133","","","1.139","","","1.139","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008596","24.0723","0.0005","6.6483","0.0001","5.3569","0.0001","90","","90","","90","","857.32","0.03","296","2","296","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- Mo4 O11 -","- Mo4 O11 -","- Mo16 O44 -","4","1","OA1071","Hoong-Kun Fun; Ping Yang; Minoru Sasaki; Masasi Inoue; Hideoki Kadomatsu","γ-Mo~4~O~11~","Acta Crystallographica Section C","1999","55","6","841","843","10.1107/S0108270199000165","","","0.71073","MoKα","","0.039","0.038","","0.093","0.092","","","","1.293","1.292","1.292","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008597","7.712","0.005","9.617","0.005","16.155","0.003","90","","101.88","0.03","90","","1172.5","1","173.2","","173.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-t-butyl-3-(N,N-dimethylcarbamoyl)pyridine","","- C12 H18 N2 O -","- C12 H18 N2 O -","- C48 H72 N8 O4 -","4","1","OA1072","Yuji Mikata; Ryoko Maesaki","Unexpectedly produced 2-<i>tert</i>-butyl-5-(<i>N</i>,<i>N</i>-dimethylcarbamoyl)pyridine from 2-chloro-3-(<i>N</i>,<i>N</i>-dimethylcarbamoyl)pyridine with a <i>tert</i>-butyl Grignard reagent","Acta Crystallographica Section C","1999","55","6","973","975","10.1107/S0108270198013079","","","0.7107","MoKα","","0.0586","0.0512","","0.0907","0.0847","","","","1.419","1.42","1.42","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008598","6.8422","0.0008","12.4","0.001","12.609","0.001","90","","94.825","0.008","90","","1066","0.17","130","0.1","130","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-allyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane","","- C9 H17 N O3 Si -","- C9 H17 N O3 Si -","- C36 H68 N4 O12 Si4 -","4","1","OA1074","White, Jonathan M.; Jones, Scott","Low-temperature structure of allyl silatrane","Acta Crystallographica Section C","1999","55","6","962","963","10.1107/S0108270199002371","","","0.71069","MoKα","","0.03","0.028","","","","0.074","","","","","","1.059","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008599","9.6615","0.001","9.7829","0.001","18.4857","0.001","101.784","0.01","96.993","0.01","115.568","0.01","1498.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dichloro[ferrocene-1,1'-diylbis(diphenylphosphine-P)]cobalt(II)","","- C34 H28 Cl2 Co Fe P2 -","- C34 H28 Cl2 Co Fe P2 -","- C68 H56 Cl4 Co2 Fe2 P4 -","2","1","OB1001","Park, Tae-Jin; Huh, Seong; Kim, Youngmee; Jun, Moo-Jin","Dichloro[ferrocene-1,1'-diylbis(diphenylphosphine-<i>P</i>)]cobalt(II)","Acta Crystallographica Section C","1999","55","6","848","850","10.1107/S0108270199001183","","","0.71073","MoKα","","0.078","0.036","","","","0.095","","","","","","1.034","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008600","9.641","0.004","10.251","0.004","13.893","0.005","90","","101","0.03","90","","1347.8","0.9","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 N2 O7 -","- C26 H32 N2 O7 -","- C52 H64 N4 O14 -","2","1","OB1005","Kazuhiro Yamato; Hiroyuki Miyake; Ken Hirotsu; Yoshitane Kojima","<i>N</i>-<i>tert</i>-Butoxycarbonyl-<i>N</i>,<i>N</i>'-ethylene-bridged (<i>S</i>)-tyrosyl-(<i>S</i>)-tyrosine methyl ester","Acta Crystallographica Section C","1999","55","6","1023","1025","10.1107/S0108270199002449","","","0.7107","MoKα","","","0.039","","","0.042","","","","","1.962","1.962","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008601","9.713","0.002","12.079","0.003","7.716","0.002","93.11","0.02","106.85","0.02","81.92","0.02","857.7","0.4","224.4","","","","","","","","","","","5","P -1","-P 1","2","","Bis(2-methyl-8-quinolinolate)tin(II)","","- C20 H16 N2 O2 Sn -","- C20 H16 N2 O2 Sn -","- C40 H32 N4 O4 Sn2 -","2","1","OB1007","Kitamura, Chitoshi; Yoneda, Akio; Sugiura, Ken-ichi; Sakata, Yoshiteru","Bis(2-methyl-8-quinolinolato-<i>N</i>,<i>O</i>)tin(II)","Acta Crystallographica Section C","1999","55","6","876","878","10.1107/S0108270199002887","","","0.7107","MoKα","","0.034","0.031","","0.089","","0.089","","","1.551","","","1.551","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008602","11.6141","0.0015","15.9238","0.0014","15.115","0.002","90","","100.31","0.01","90","","2750.2","0.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 B9 P -","- C25 H38 B9 P -","- C100 H152 B36 P4 -","4","1","OS1036","Sillanpää, Reijo; Pedrajas, Josefina; Viñas, Clara; Teixidor, Frances; Kivekäs, Raikko","(PMePh~3~)(7,8-Et~2~-7,8-<i>nido</i>-C~2~B~9~H~10~)","Acta Crystallographica Section C","1999","55","6","1008","1009","10.1107/S0108270199002516","","","0.71069","MoKα","","0.1762","0.0657","","","","0.1491","","","","","","1.006","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008603","9.3229","0.0003","9.2536","0.0001","14.0823","0.0004","90","","90","","90","","1214.89","0.05","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","μ-oxalato-O,O',O'', O''')(2,2'-bipyridine-N,N')Fe(II)","","- C12 H8 Fe N2 O4 -","- C12 H8 Fe N2 O4 -","- C48 H32 Fe4 N8 O16 -","4","1","OS1041","Fun, Hoong-Kun; Shanmuga Sundara Raj, S.; Fang, Xia; Zheng, Li-Min; Xin, Xin-Quan","<i>catena</i>-Poly[[(2,2'-bipyridine)iron(II)]-μ-oxalato]","Acta Crystallographica Section C","1999","55","6","903","905","10.1107/S0108270199001924","","","0.71073","MoKα","","0.13","0.057","","0.092","0.072","","","","1.112","1.158","1.158","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008604","9.8412","0.0006","15.6366","0.0007","9.4044","0.0005","90","","90","","90","","1447.18","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6,7-dihydroxy-1-(2-methoxypropyl)-1,2,3,4-tetrahydroisoquinolinium chloride hydrate","","- C13 H22 Cl N O4 -","- C13 H22 Cl N O4 -","- C52 H88 Cl4 N4 O16 -","4","1","OS1043","Domagała, Małgorzata; Rybarczyk, Agnieszka J.; Olszak, Tomasz A.; Brzezińska, Elżbieta","X-ray investigations of potential β-blockers. IV","Acta Crystallographica Section C","1999","55","6","1003","1005","10.1107/S0108270199002383","","","1.54178","CuKα","","0.035","0.029","","","","0.08","","","","","","1.04","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008605","6.9675","0.0001","9.5232","0.0002","11.0979","0.0003","97.556","0.001","104.298","0.001","95.403","0.001","701.2","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazole-3-thione","","- C14 H10 Cl N3 S -","- C14 H10 Cl N3 S -","- C28 H20 Cl2 N6 S2 -","2","1","OS1044","Puviarasan, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Jayanthi, G.; Hoong-Kun Fun","5-(2-Chlorophenyl)-4-phenyl-3,4-dihydro-2<i>H</i>-1,2,4-triazole-3-thione","Acta Crystallographica Section C","1999","55","6","951","953","10.1107/S0108270199002796","","","0.71073","MoKα","","0.052","0.041","","","","0.109","","","","","","1.018","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008606","9.4282","0.0011","18.717","0.0012","19.6325","0.0012","90","","103","0.002","90","","3375.7","0.5","295","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 I2 N4 Ni O2 Zn -","- C31 H34 I2 N4 Ni O2 Zn -","- C124 H136 I8 N16 Ni4 O8 Zn4 -","4","1","OS1045","Arıcı, Cengiz; Ercan, Filiz; Atakol, Orhan; Akay, Abdülkadir; Ülkü, Dinçer","{[μ-Bis(salicylidene)-1,3-propanediaminato]-bis(3,5-dimethylpyridine)nickel(II)}diiodozinc(II)","Acta Crystallographica Section C","1999","55","6","928","930","10.1107/S0108270199002802","","","0.71073","MoKα","","","0.025","","","0.033","","","","","0.98","0.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008607","7.2691","0.0007","10.4214","0.0013","16.868","0.002","90","","90","","90","","1277.8","0.3","122","0.5","122","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-2-amino-3-methyl-1-butanol-(2S,3S)-hydrogen-tartrate monohydrate","","- C9 H21 N O8 -","- C9 H21 N O8 -","- C36 H84 N4 O32 -","4","1","OS1047","Bruun, Rikke Mattsson; Larsen, Sine","(<i>S</i>)-2-Amino-3-methyl-1-butanol (2<i>S</i>,3<i>S</i>)-hydrogen tartrate monohydrate","Acta Crystallographica Section C","1999","55","6","956","958","10.1107/S0108270199003042","","","1.54184","CuKα","","0.0262","0.0256","","","","0.0731","","","","","","1.077","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008608","9.7934","0.0002","9.5005","0.0001","15.2958","0.0001","90","","102.297","0.001","90","","1390.5","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-methyl-3-(2-methylphenyl)-1,2,4-triazolo-[3,4-b][1,3]benzothiazole","","- C16 H13 N3 S -","- C16 H13 N3 S -","- C64 H52 N12 S4 -","4","1","OS1049","Puviarasan, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Jayanthi, G.; Hoong-Kun Fun","7-Methyl-3-(2-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (I), and 7-methyl-3-(4-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (II)","Acta Crystallographica Section C","1999","55","6","948","951","10.1107/S0108270199000864","","","0.71073","MoKα","","0.119","0.056","","","","0.163","","","","","","0.959","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008609","24.482","0.0012","7.5509","0.0004","7.506","0.0004","90","","90","","90","","1387.57","0.12","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","7-methyl-3-(4-methylphenyl)-1,2,4-triazolo-[3,4-b][1,3]benzothiazole","","- C16 H13 N3 S -","- C16 H13 N3 S -","- C64 H52 N12 S4 -","4","1","OS1049","Puviarasan, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Jayanthi, G.; Hoong-Kun Fun","7-Methyl-3-(2-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (I), and 7-methyl-3-(4-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (II)","Acta Crystallographica Section C","1999","55","6","948","951","10.1107/S0108270199000864","","","0.71073","MoKα","","0.064","0.048","","","","0.125","","","","","","1.016","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008610","6.573","0.005","10.687","0.005","30.531","0.005","90","","90","","90","","2144.7","1.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,4-dicholoro-5-nitrobenzoic sodium dihydrate","","- C7 H6 Cl2 N Na O6 -","- C7 H6 Cl2 N Na O6 -","- C56 H48 Cl16 N8 Na8 O48 -","8","1","QA0071","Morales, Angel Dago; Novoa de Armas, Héctor; Lisbet Xuárez Marill; Rolando Pellón Comdom; García-Granda, Santiago","Sodium 2,4-dichloro-5-nitrobenzoate dihydrate","Acta Crystallographica Section C","1999","55","6","IUC9900056","","10.1107/S0108270199099382","","","0.71069","MoKα","","0.122","0.057","","0.197","0.138","","","","1.204","1.266","1.266","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008611","7.507","0.001","7.507","0.001","7.507","0.001","92.29","0.02","92.29","0.02","92.29","0.02","422.02","0.1","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","Sodium iodide tris(1,4-dioxane)","","","- C12 H24 I Na O6 -","- C12 H24 I Na O6 -","- C12 H24 I Na O6 -","1","0.166667","QA0095","Belsky, Vitaly K.; Maslennikova, Vera I.","Sodium tris(1,4-dioxane) iodide","Acta Crystallographica Section C","1999","55","6","IUC9900057","","10.1107/S0108270199099370","","","0.71073","MoKα","","0.022","0.022","","","","0.063","","","","","","1.108","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008612","8.1525","0.0005","7.9948","0.0005","12.7269","0.0006","90","","108.008","0.004","90","","788.87","0.08","293","2","293","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","Bis(3-acetylamino-1,2,4-triazole-O,N^4^) dinitratocopper (II)","","- C8 H12 Cu N10 O8 -","- C8 H12 Cu N10 O8 -","- C16 H24 Cu2 N20 O16 -","2","0.5","QA0112","Virovets, Alexander V.; Naumov, Dmitry Yu.; Lavrenova, Ludmila G.; Bushuev, Mark B.","Bis(3-acetylamino-1,2,4-triazole-<i>O</i>,<i>N</i>^4^)bis(nitrato-<i>O</i>)copper(II)","Acta Crystallographica Section C","1999","55","6","IUC9900059","","10.1107/S0108270199099357","","","0.71069","MoKα","","0.04","0.034","","","","0.104","","","","","","1.08","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008613","6.676","0.001","5.567","0.0009","11.471","0.003","90","","103.88","0.04","90","","413.87","0.16","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N,N'-Dimethyl-2,2'-biimidazole","","- C8 H10 N4 -","- C8 H10 N4 -","- C16 H20 N8 -","2","0.5","QA0113","Therrien, Bruno; Beauchamp, André L.","1,1'-Dimethyl-2,2'-biimidazole","Acta Crystallographica Section C","1999","55","6","IUC9900054","","10.1107/S0108270199099321","","","0.71069","MoKα","","0.048","0.036","","0.088","","0.084","","","0.911","","","1.027","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008614","11.046","0.001","12.545","0.001","13.624","0.001","90","","90","","90","","1887.9","0.3","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Br4 -","- C17 H24 Br4 -","- C68 H96 Br16 -","4","1","QA0114","Auhmani, A.; Kossareva, E.; Lassaba, E.; Réglier, M.; Pierrot, M.; Benharref, A.","Cyclopropanation reactions on α-<i>cis</i>-himachalene and a β-himachalene","Acta Crystallographica Section C","1999","55","6","IUC9900055","","10.1107/S010827019909931X","","","0.71073","MoKα","","","0.041","","","0.071","","","","","1.65","1.65","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008615","11.018","0.001","12.278","0.001","13.299","0.001","90","","90","","90","","1799.1","0.3","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Cl4 -","- C17 H24 Cl4 -","- C68 H96 Cl16 -","4","1","QA0114","Auhmani, A.; Kossareva, E.; Lassaba, E.; Réglier, M.; Pierrot, M.; Benharref, A.","Cyclopropanation reactions on α-<i>cis</i>-himachalene and a β-himachalene","Acta Crystallographica Section C","1999","55","6","IUC9900055","","10.1107/S010827019909931X","","","0.71073","MoKα","","","0.048","","","0.131","","","","","1.484","1.484","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008616","9.599","0.001","11.922","0.001","13.517","0.001","90","","90","","90","","1546.9","0.2","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cl2 -","- C16 H24 Cl2 -","- C64 H96 Cl8 -","4","1","QA0114","Auhmani, A.; Kossareva, E.; Lassaba, E.; Réglier, M.; Pierrot, M.; Benharref, A.","Cyclopropanation reactions on α-<i>cis</i>-himachalene and a β-himachalene","Acta Crystallographica Section C","1999","55","6","IUC9900055","","10.1107/S010827019909931X","","","0.71073","MoKα","","","0.063","","","0.134","","","","","1.469","1.469","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008617","7.153","0.001","11.035","0.002","26.824","0.004","90","","90","","90","","2117.3","0.6","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R)-di-p-methoxyphenyl ammonium alcohol-L-tartrate-water","","- C20 H27 N O10 -","- C20 H27 N O10 -","- C80 H108 N4 O40 -","4","1","QA0116","Jian, Liao; Chen, Daimo; Jiang, Yaozhong; Yu, Kaibei; Chan, Albert S. C.","[2-Hydroxy-(1<i>S</i>,2<i>R</i>)-1,2-bis(4-methoxyphenyl)ethyl]ammonium <small>L</small>-tartrate hydrate","Acta Crystallographica Section C","1999","55","6","IUC9900053","","10.1107/S0108270199099308","","","0.71073","MoKα","","0.067","0.036","","0.103","0.073","","","","0.826","0.973","0.973","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008618","5.993","0.004","5.993","0.004","12.574","0.008","90","","90","","90","","451.6","0.5","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium periodate","Ammonium tetraoxoiodate(VII)","","- H4 I N O4 -","- H4 I N O4 -","- H16 I4 N4 O16 -","4","0.25","QA0117","Levason, William; Webster, Michael","Ammonium tetraoxoiodate(VII)","Acta Crystallographica Section C","1999","55","6","IUC9900052","","10.1107/S0108270199099394","","","0.71073","MoKα","","0.022","0.018","","","","0.049","","","","","","1.091","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008619","7.3408","0.0002","8.632","0.0002","15.0033","0.0003","73.476","0.001","85.741","0.001","70.288","0.001","857.78","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","hexaaquonickel(II) diaquo-μ-triethylenetetraaminehexaacetatodinickel(II) tetrahydrate","","- C18 H48 N4 Ni3 O24 -","- C18 H48 N4 Ni3 O24 -","- C18 H48 N4 Ni3 O24 -","1","0.5","QA0118","Li, Dong-Feng; Liao, Zhan-Ru; Xiong, Yun","A dinuclear nickel(II) complex with triethylenetetraaminehexaacetic acid","Acta Crystallographica Section C","1999","55","6","IUC9900058","","10.1107/S0108270199099369","","","0.71073","MoKα","","0.033","0.028","","0.077","0.075","","","","1.026","1.08","1.08","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008620","15.7794","0.0004","4.8525","0.0002","9.8771","0.0003","90","","97.952","0.001","90","","749.01","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-aminophenyl acetic acid","DL-2-amino-2-phenyl ethanoic acid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","QA0123","Dalhus, Bjørn; Görbitz, Carl Henrik","<small>DL</small>-Aminophenylacetic acid","Acta Crystallographica Section C","1999","55","6","IUC9900061","","10.1107/S0108270199099291","","","0.71073","MoKα","","0.097","0.058","","0.158","","0.139","","","1.033","","","1.11","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008621","8.5125","0.0002","18.262","0.0004","11.2164","0.0002","90","","105.328","0.001","90","","1681.62","0.06","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C28 H24 Cl8 P2 Pd -","- C28 H24 Cl8 P2 Pd -","- C56 H48 Cl16 P4 Pd2 -","2","0.5","QA0124","Juanatey, Pilar; Suárez, Antonio; López, Margarita; Vila, José M.; Ortigueira, Juan M.; Fernández, Alberto","<i>cis</i>-[1,2-Bis(diphenylphosphino)ethene]dichloropalladium(II) bis(trichloromethane) solvate","Acta Crystallographica Section C","1999","55","6","IUC9900062","","10.1107/S0108270199099345","","","0.71073","MoKα","","0.054","0.041","","","","0.116","","","","","","1.028","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008622","9.6489","0.0009","13.0543","0.0011","14.1245","0.0007","90","","101.173","0.006","90","","1745.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","8-Chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f]-1,4-selenazepine","","- C18 H18 Cl N3 Se -","- C18 H18 Cl N3 Se -","- C72 H72 Cl4 N12 Se4 -","4","1","QA0125","Dupont, Léon; Pignon, Bernard; Christiaens, Léon","8-Chloro-11-(4-methylpiperazin-1-yl)dibenzo[<i>b</i>,<i>f</i>]-1,4-selenazepine","Acta Crystallographica Section C","1999","55","6","IUC9900064","","10.1107/S010827019909928X","","","1.5418","CuKα","","0.049","0.035","","","","0.1","","","","","","1.007","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008623","21.913","0.002","5.254","0.002","23.553","0.002","90","","112.41","0.02","90","","2506.9","1.1","293","2","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","6-(cyclohexylmethylene)salicylic acid","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","1","QA0126","Bourne, Susan A; Green, Ivan R; Tocoli, Felismino E","Analogues of anacardic acids: 6-(cyclohexylmethyl)salicylic acid and 6-(2-cyclohexylethyl)salicylic acid","Acta Crystallographica Section C","1999","55","6","IUC9900063","","10.1107/S0108270199099278","","","0.7107","MoKα","","","0.0513","","","","0.1741","","","","","","1.056","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008624","12.2361","0.0008","17.152","0.002","6.4725","0.0006","90","","97.01","0.004","90","","1348.3","0.2","293","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-(2'-cyclohexylethylene)salicylic acid","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","QA0126","Bourne, Susan A; Green, Ivan R; Tocoli, Felismino E","Analogues of anacardic acids: 6-(cyclohexylmethyl)salicylic acid and 6-(2-cyclohexylethyl)salicylic acid","Acta Crystallographica Section C","1999","55","6","IUC9900063","","10.1107/S0108270199099278","","","0.7107","MoKα","","","0.0628","","","","0.2205","","","","","","1.075","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008625","11.9149","0.0005","16.8717","0.0006","18.1365","0.0004","90","","106.193","0.006","90","","3501.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Triquinolinium hexanitratolanthate(III) monohydrate","","- C27 H26 La N9 O19 -","- C27 H26 La N9 O19 -","- C108 H104 La4 N36 O76 -","4","1","QA0127","Yong Cui; Fakun Zheng; Jiutong Chen; Jinshun Huang","Triquinolinium hexanitratolanthate(III) monohydrate","Acta Crystallographica Section C","1999","55","6","IUC9900065","","10.1107/S0108270199099333","","","0.71073","MoKα","","0.036","0.029","","0.066","","0.064","","","1.153","","","1.171","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008626","5.91","0.001","11.21","0.002","15.961","0.002","90","","90","","90","","1057.4","0.3","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O2 P -","- C11 H15 O2 P -","- C44 H60 O8 P4 -","4","1","QB0096","Deng, Jingen; He, Ze; Yu, Kaibai; Mi, Aiqiao; Jiang, Yaozhong","(2<i>R</i>,<i>S</i>~P~)-2-Hydroxymethyl-1-phenylphospholane 1-oxide","Acta Crystallographica Section C","1999","55","6","IUC9900060","","10.1107/S0108270199099266","","","0.71073","MoKα","","0.035","0.03","","0.075","0.074","","","","0.984","1.035","1.035","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008627","12.193","0.001","17.562","0.002","21.84","0.003","90","","97.71","0.01","90","","4634.4","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[triphenyltin-μ-(N,N-dimethylthiocarbamoylacetato)-O:O']}","","- C23 H23 N O3 S Sn -","- C23 H23 N O3 S Sn -","- C184 H184 N8 O24 S8 Sn8 -","8","2","SK1236","Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng","Triphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate, triphenyltin <i>N</i>,<i>N</i>-pentamethylenecarbamoylthioacetate and cyclopentyldiphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate","Acta Crystallographica Section C","1999","55","6","889","894","10.1107/S0108270199001286","","","0.71073","MoKα","","0.068","0.042","","","","0.108","","","","","","1.018","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008628","27.404","0.001","17.855","0.001","21.682","0.001","90","","98.11","0.01","90","","10502.9","0.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-poly[triphenyltin-μ-(N,N-pentamethylenecarbamoylthioacetato)-O:O']}","","- C26 H27 N O3 S Sn -","- C26 H27 N O3 S Sn -","- C416 H432 N16 O48 S16 Sn16 -","16","2","SK1236","Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng","Triphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate, triphenyltin <i>N</i>,<i>N</i>-pentamethylenecarbamoylthioacetate and cyclopentyldiphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate","Acta Crystallographica Section C","1999","55","6","889","894","10.1107/S0108270199001286","","","0.71073","MoKα","","0.104","0.057","","","","0.169","","","","","","1.095","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008629","12.307","0.002","17.528","0.002","21.781","0.004","90","","97.77","0.01","90","","4655.4","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Sn(C5H9)(C6H5)2(C5H8NO3S)]","catena-poly[cyclopentyldiphenyltin-μ-(N,N-dimethylthiocarbamoylacetato)-O:O']}","","- C22 H27 N O3 S Sn -","- C22 H27 N O3 S Sn -","- C176 H216 N8 O24 S8 Sn8 -","8","2","SK1236","Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng","Triphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate, triphenyltin <i>N</i>,<i>N</i>-pentamethylenecarbamoylthioacetate and cyclopentyldiphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate","Acta Crystallographica Section C","1999","55","6","889","894","10.1107/S0108270199001286","","","0.71073","MoKα","","0.138","0.062","","","","0.185","","","","","","1.049","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008630","8.9654","0.0003","9.6447","0.0003","20.0666","0.0005","78.475","0.001","81.518","0.001","83.786","0.001","1675.99","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","{4,4'-Dimethyl-6,6'-bis(1-morpholiniomethyl)-2,2'-[1,2- ethanediylbis(nitrilomethylidene-N)]diphenolato-O,O'}copper(II) diperchlorate monohydrate","","- C28 H40 Cl2 Cu N4 O13 -","- C28 H40 Cl2 Cu N4 O13 -","- C56 H80 Cl4 Cu2 N8 O26 -","2","1","SK1242","S. Shanmuga Sundara Raj; R. Thirumurugan; G. Shanmugam; Hoong-Kun Fun; J. Manonmani; M. Kandaswamy","{4,4'-Dimethyl-6,6'-bis(1-morpholiniomethyl)-2,2'-[1,2-ethanediylbis(nitrilomethylidene-<i>N</i>)]diphenolato-<i>O</i>,<i>O</i>'}copper(II) diperchlorate monohydrate","Acta Crystallographica Section C","1999","55","6","894","896","10.1107/S0108270199001298","","","0.71073","MoKα","","0.106","0.068","","","","0.182","","","","","","1.117","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008631","7.3215","0.0001","17.3709","0.0002","13.3435","0.0002","90","","90","","90","","1697.04","0.04","173","","173","","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C14 H18 Cl4 N2 Ti -","- C14 H18 Cl4 N2 Ti -","- C56 H72 Cl16 N8 Ti4 -","4","","SK1252","Hensen, Karl; Lemke, Alexander; Bolte, Michael","Addition compounds of titanium tetrachloride with aromatic nitrogen bases","Acta Crystallographica Section C","1999","55","6","863","867","10.1107/S0108270199000554","","","0.71073","MoKα","","0.0351","0.029","","0.068","0.0651","0.068","","","1.108","","","1.108","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008632","7.184","0.001","8.014","0.002","14.151","0.003","90","","90","","90","","814.7","0.3","173","","173","","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C12 H14 Cl4 N2 Ti -","- C12 H14 Cl4 N2 Ti -","- C24 H28 Cl8 N4 Ti2 -","2","0.25","SK1252","Hensen, Karl; Lemke, Alexander; Bolte, Michael","Addition compounds of titanium tetrachloride with aromatic nitrogen bases","Acta Crystallographica Section C","1999","55","6","863","867","10.1107/S0108270199000554","","","0.71073","MoKα","","0.0556","0.0471","","0.1086","0.1062","0.1086","","","1.31","","","1.31","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008633","7.8998","0.0002","9.9722","0.0003","16.0448","0.0005","107.54","0.001","93.784","0.001","99.551","0.001","1179.43","0.06","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 Cl16 N12 Ti3 -","- C24 H40 Cl16 N12 Ti3 -","- C24 H40 Cl16 N12 Ti3 -","1","0.5","SK1252","Hensen, Karl; Lemke, Alexander; Bolte, Michael","Addition compounds of titanium tetrachloride with aromatic nitrogen bases","Acta Crystallographica Section C","1999","55","6","863","867","10.1107/S0108270199000554","","","0.71073","MoKα","","0.0829","0.0463","","0.0933","0.0823","0.0933","","","1.039","","","1.039","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2008634","7.888","0.001","8.643","0.001","29.832","0.001","90","","90","","90","","2033.8","0.4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,6S,1'R)-3-(1-Naphth-1-yl-2-nitro-ethyl)-6-isopropyl-2,5- dimethoxy-3,6-dihydro-pyrazine","","- C21 H25 N3 O4 -","- C21 H25 N3 O4 -","- C84 H100 N12 O16 -","4","1","SK1254","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val)","Acta Crystallographica Section C","1999","55","6","964","968","10.1107/S0108270199001304","","","1.5418","CuKα","","0.0358","0.0352","","","","0.113","","","","","","0.968","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008635","8.88","0.002","6.748","0.002","17.73","0.004","90","","100.42","0.03","90","","1044.9","0.5","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H27 N3 O6 -","- C19 H27 N3 O6 -","- C38 H54 N6 O12 -","2","1","SK1254","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val)","Acta Crystallographica Section C","1999","55","6","964","968","10.1107/S0108270199001304","","","0.71069","MoKα","","0.1453","0.0694","","","","0.1701","","","","","","1.126","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008636","8.514","0.001","9.301","0.001","20.119","0.002","90","","90","","90","","1593.2","0.3","293","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N2 O4 -","- C14 H24 N2 O4 -","- C56 H96 N8 O16 -","4","1","SK1254","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val)","Acta Crystallographica Section C","1999","55","6","964","968","10.1107/S0108270199001304","","","0.71069","MoKα","","0.0481","0.0436","","","","0.121","","","","","","1.049","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008637","8.211","0.001","9.254","0.001","20.861","0.002","90","","90","","90","","1585.1","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,6S)-3-[(R)-Hydroxy-phenyl-methyl]-6-isopropyl-2,5-dimethoxy- 3,6-dihydro-pyrazine","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C64 H88 N8 O12 -","4","1","SK1254","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val)","Acta Crystallographica Section C","1999","55","6","964","968","10.1107/S0108270199001304","","","0.71069","MoKα","","0.0518","0.0432","","0.1213","0.1147","","","","1.136","1.18","1.18","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008638","5.803","0.001","10.486","0.001","14.762","0.001","90","","90.05","0.01","90","","898.27","0.19","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3RS,6SR)-3,6-Dibenzyl-2,5-dimethoxy-3,6-dihydro-pyrazine","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C40 H44 N4 O4 -","2","0.5","SK1255","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds","Acta Crystallographica Section C","1999","55","6","968","973","10.1107/S010827019801645X","","","0.71069","MoKα","","0.0426","0.0369","","0.1076","0.1025","","","","1.041","1.088","1.088","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008639","10.998","0.001","11.513","0.001","14.464","0.001","90","","90","","90","","1831.4","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,6S)-3,6-Dibenzyl-2,5-dimethoxy-3,6-dihydro-pyrazine","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","SK1255","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds","Acta Crystallographica Section C","1999","55","6","968","973","10.1107/S010827019801645X","","","0.71069","MoKα","","0.0514","0.0418","","0.1032","0.0971","","","","1.08","1.121","1.121","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008640","5.88","0.001","7.449","0.001","11.197","0.001","98.41","0.01","90.13","0.01","91.97","0.01","484.86","0.11","293","","293","","","","","","","","","5","P 1","P 1","1","","(3R,6S)-3-Benzyl-6-pentafluorophenyl-methyl-2,5-dimethoxy- 3,6-dihydro-pyrazine","","- C20 H17 F5 N2 O2 -","- C20 H17 F5 N2 O2 -","- C20 H17 F5 N2 O2 -","1","1","SK1255","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds","Acta Crystallographica Section C","1999","55","6","968","973","10.1107/S010827019801645X","","","1.5418","CuKα","","0.0386","0.0371","","0.1137","0.1107","","","","1.05","1.056","1.056","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008641","6.441","0.001","9.036","0.001","32.996","0.004","90","","90","","90","","1920.4","0.4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,6S)-3-Benzyl-6-(cyclohexyl-methyl)-2,5-dimethoxy- 3,6-dihydro-pyrazine","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C80 H112 N8 O8 -","4","1","SK1255","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds","Acta Crystallographica Section C","1999","55","6","968","973","10.1107/S010827019801645X","","","0.71069","MoKα","","0.1064","0.0626","","0.1584","0.1344","","","","1.046","1.167","1.167","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008642","6.86","0.001","16.461","0.001","20.386","0.002","90","","90","","90","","2302","0.4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C96 H120 N8 O16 -","4","1","SK1255","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds","Acta Crystallographica Section C","1999","55","6","968","973","10.1107/S010827019801645X","","","0.71069","MoKα","","0.0637","0.0429","","0.1078","0.0964","","","","1.032","1.112","1.112","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008643","5.7445","0.0008","5.7445","0.0008","17.235","0.005","90","","90","","120","","492.55","0.17","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","Bi nitro aluminate","Tetracalcium dialuminium hydroxide binitrate tetrahydrate","","- Al2 Ca4 H20 N2 O22 -","- Al2 Ca4 H12 N2.0004 O22.0016 -","- Al2 Ca4 H12 N2.0004 O22.0016 -","1","0.0833333","SK1257","Renaudin, Guillaume; François, Michel","The lamellar double-hydroxide (LDH) compound with composition 3CaO^.^Al~2~O~3~^.^Ca(NO~3~)~2~^.^10H~2~O","Acta Crystallographica Section C","1999","55","6","835","838","10.1107/S0108270199003066","","","0.71073","MoKα","","0.039","0.036","","","","0.1","","","","","","1.164","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008644","13.492","0.0002","9.6317","0.0001","16.9975","0.0003","90","","90","","90","","2208.84","0.06","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Diazidobis-1,10-phenanthroline manganese(II)","","- C24 H16 Mn N10 -","- C24 H16 Mn N10 -","- C96 H64 Mn4 N40 -","4","0.5","SK1267","Shen, Zhen; Zuo, Jing-Lin; Chinnakali, Kandasamy; Fun, Hoong-Kun; You, Xiao-Zeng","Diazidobis(1,10-phenanthroline-<i>N</i>,<i>N</i>')manganese(II)","Acta Crystallographica Section C","1999","55","6","901","903","10.1107/S010827019900181X","","","0.71073","MoKα","","0.048","0.037","","","","0.118","","","","","","1.063","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008645","11.6166","0.0009","8.2634","0.0008","18.2929","0.0018","90","","98.856","0.007","90","","1735","0.3","295","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl2 Cu N2 O2 Zn -","- C17 H16 Cl2 Cu N2 O2 Zn -","- C68 H64 Cl8 Cu4 N8 O8 Zn4 -","4","1","SK1278","Tatar, Leyla; Atakol, Orhan; Ülkü, Dinçer; Aksu, Mecit","{[μ-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}dichlorozinc(II)","Acta Crystallographica Section C","1999","55","6","923","925","10.1107/S0108270199003091","","","0.71073","MoKα","","","0.031","","","","0.038","","","","","","0.99","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008646","16.4555","0.0009","16.4555","0.0009","44.178","0.005","90","","90","","120","","10360","1.4","296","2","296","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","μ~3~-iodine-2:3:4κ^3^I-sulfido-1κS-tri-μ~3~-sulfido-1:2:3κ^3^S; 1:2:4κ^3^S;-1:3:4κ^3^S-tris(triphenylphosphine)-2κP;3κP;4κP","","- C72 H60 Ag3 I P4 S5 W -","- C72 H60 Ag3 I P4 S5 W -","- C432 H360 Ag18 I6 P24 S30 W6 -","6","0.333333","TA1221","Jin, Qiong-Hua; Xin, Xiu-Lan; Deng, Yu-Heng; Yu, Kai-Bei","μ~3~-Iodo-2:3:4κ^3^<i>I</i>-tri-μ~3~-sulfido-1:2:3κ^3^<i>S</i>;1:2:4κ^3^<i>S</i>;1:3:4κ^3^<i>S</i>-sulfido-1κ<i>S</i>-tris(triphenylphosphine)-2κ<i>P</i>,3κ<i>P</i>,4κ<i>P</i>-trisilvertungsten‒triphenylphosphine sulfide (1/1)","Acta Crystallographica Section C","1999","55","6","860","863","10.1107/S0108270199002978","","","0.71073","MoKα","","","0.029","","","","0.071","","","","","","1.007","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008647","7.552","0.002","18.013","0.003","8.057","0.002","90","","105.02","0.02","90","","1058.6","0.4","296.2","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl4 Ru2 -","- C19.992 H18.624 Cl4 Ru2 -","- C39.984 H37.248 Cl8 Ru4 -","2","0.5","TA1223","Mark Bown; Martin A. Bennett","Di-μ-chloro-bis{chloro[(4a,5,6,7,8,8a-η^6^)-1,2,3,4-tetrahydronaphthalene]ruthenium(II)}","Acta Crystallographica Section C","1999","55","6","852","854","10.1107/S0108270199002589","","","0.7107","MoKα","","0.038","0.027","","0.036","","0.035","","","1.792","","","1.916","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008648","6.264","0.002","9.035","0.004","22.362","0.009","90","","90","","90","","1265.6","0.9","152","2","152","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-D-3,4-anhydro-1,2:5,6-di-O-isopropylidene-allo-inositol","","- C12 H18 O5 -","- C12 H18 O5 -","- C48 H72 O20 -","4","1","TA1231","Falshaw, Andrew; Gainsford, Graeme J.; Lensink, Cornelis","1-<small>D</small>-3,4-Anhydro-1,2:5,6-di-<i>O</i>-isopropylidene-<i>allo</i>-inositol","Acta Crystallographica Section C","1999","55","6","958","960","10.1107/S0108270199002607","","","0.71073","MoKα","","0.095","0.051","","0.093","0.081","","","","1.042","1.128","1.128","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008649","6.411","0.002","20.092","0.002","8.93","0.002","90","","103.24","0.02","90","","1119.7","0.5","248","","248","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","TA1232","Yoshihara, Ryouko; Hosomi, Hiroyuki; Aoyama, Hiromu; Ohba, Shigeru","<i>N</i>-(Isopropyl)norbornane-<i>endo</i>-2,3-dicarboximide","Acta Crystallographica Section C","1999","55","6","960","962","10.1107/S0108270199002619","","","1.54184","CuKα","","","0.065","","","","0.151","","","","","","1.96","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008650","9.0204","0.0001","13.9921","0.0002","15.898","0.0001","106.022","0.001","90.673","0.001","98.479","0.001","1904.63","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(μ-hydrido)(μ-2-hydroxyethoxy)decacarbonyltriosmium","","- C12 H6 O12 Os3 -","- C12 H6 O12 Os3 -","- C48 H24 O48 Os12 -","4","2","TA1235","Leong, Weng Kee; Lum, Mien Wei","Decacarbonyl(μ-hydrido)(μ-2-hydroxyethoxy)triosmium","Acta Crystallographica Section C","1999","55","6","881","882","10.1107/S0108270199002620","","","0.71073","MoKα","","0.075","0.051","","","","0.141","","","","","","1.006","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008651","9.656","0.001","5.592","0.001","15.788","0.001","90","","102.68","0.01","90","","831.7","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2:3,4:5,6-Tri-O-isopropylidene-D-manitol","","- C15 H26 O6 -","- C15 H26 O6 -","- C30 H52 O12 -","2","1","BK1441","Ping Liu; Ting-Bin Wen; Jian-Kai Cheng","1,2:3,4:5,6-Tri-<i>O</i>-isopropylidene-<small>D</small>-mannitol","Acta Crystallographica Section C","1999","55","7","1179","1181","10.1107/S0108270199002759","","","0.71073","MoKα","","0.044","0.04","","0.099","0.098","","","","1.058","1.091","1.091","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008652","8.0857","0.0009","8.5118","0.0005","10.4161","0.0007","88.788","0.007","73.155","0.008","77.352","0.007","668.78","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(4-carboxyl-2,6-dichlorophenylimino)imidazolidine dihydrate","","- C10 H13 Cl2 N3 O4 -","- C10 H13 Cl2 N3 O4 -","- C20 H26 Cl4 N6 O8 -","2","1","BK1445","E.M.Elssfah; K.Chinnakali; H.K.Fun; I.W.Mathison; E.K.Gan; M.Zubaid; T.W.Sam; C.Y.Tan","3,5-Dichloro-4-(imidazolidin-2-ylideneammonio)benzoate dihydrate","Acta Crystallographica Section C","1999","55","7","1115","1117","10.1107/S0108270199003832","","","0.71073","MoKα","","0.053","0.0383","","0.1104","0.1049","","","","1.045","1.162","1.162","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008653","7.5453","0.0003","12.0114","0.0005","13.5984","0.0005","109.342","0.001","99.98","0.001","98.593","0.001","1116.54","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 N3 O S -","- C11 H11 N3 O S -","- C44 H44 N12 O4 S4 -","4","2","BK1448","Puviarasan, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Jayanthi, G.; Hoong-Kun Fun","3-Cyclopropyl-1,2,4-triazolo[3,4-<i>b</i>]benzothiazole monohydrate","Acta Crystallographica Section C","1999","55","7","1119","1121","10.1107/S0108270199004448","","","0.71073","MoKα","","0.0421","0.0362","","","","0.1032","","","","","","1.052","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008654","17.1543","0.0008","10.7312","0.0005","20.6138","0.001","90","","101.618","0.001","90","","3717","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H45 Cl P2 Ru -","- C46 H45 Cl P2 Ru -","- C184 H180 Cl4 P8 Ru4 -","4","1","BK1451","Ilia A. Guzei; M. Angeles Paz-Sandoval; Román Torres-Lubian; Patricia Juarez-Saavedra","Chloro(pentamethyl-η^5^-cyclopentadienyl)bis(triphenylphosphine)ruthenium(II)","Acta Crystallographica Section C","1999","55","7","1090","1092","10.1107/S010827019900253X","","","0.71073","MoKα","","0.0485","0.0301","","","","0.0649","","","","","","1.038","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008655","5.275","0.003","9.747","0.004","11.451","0.005","96.44","0.03","84.11","0.03","78.88","0.04","569.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","aziridinyl","Bis(2,2-dimethylaziridinyl)phosphinic amide","","- C8 H18 N3 O P -","- C8 H18 N3 O P -","- C16 H36 N6 O2 P2 -","2","1","BK1457","Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur","Bis(2,2-dimethylaziridinyl)phosphinic amide","Acta Crystallographica Section C","1999","55","7","1173","1175","10.1107/S0108270199003248","","","1.54178","CuKα","","0.045","0.042","","","","0.116","","","","","","1.08","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008656","18.409","0.002","7.2898","0.0006","5.6649","0.0004","90","","94.96","0.01","90","","757.37","0.12","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(1H-1,2,4-triazol-1-yl)phenol","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C32 H28 N12 O4 -","4","1","BM1323","Foces-Foces, C.; Cabildo, P.; Claramunt, R. M.; Elguero, J.","4-(1<i>H</i>-1,2,4-Triazol-1-yl)phenol","Acta Crystallographica Section C","1999","55","7","1160","1163","10.1107/S0108270199003558","","","1.5418","CuKα","","0.061","0.051","","0.044","0.039","","","","0.903","0.895","0.895","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008657","8.41","0.002","11.116","0.002","12.122","0.002","95.24","0.03","108.29","0.03","93.24","0.03","1067.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-phenylacetato-O:O')bis[(quinoline-N)cobalt(II)]","","- C50 H42 Co2 N2 O8 -","- C50 H42 Co2 N2 O8 -","- C50 H42 Co2 N2 O8 -","1","0.5","BM1324","Yong Cui; Fakun Zheng; Jinshun Huang","Tetrakis(μ-phenylacetato-<i>O</i>:<i>O</i>')bis[(quinoline-<i>N</i>)cobalt(II)]","Acta Crystallographica Section C","1999","55","7","1067","1069","10.1107/S0108270199004321","","","0.71073","MoKα","","0.056","0.047","","0.12","","0.116","","","1.041","","","1.084","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008658","20.412","0.003","20.412","0.003","10.482","0.002","90","","90","","90","","4367.3","1.2","120","","120","","","","","","","","","5","P 42/n :2","-P 4bc","86","","{μ-2,6-Bis(N-tert-butyliminomethylene)pyridine}rhodium(I) phenoxide","","- C21 H28 N3 O Rh -","- C21 H28 N3 O Rh -","- C168 H224 N24 O8 Rh8 -","8","1","BM1325","Kooijman, Huub; Kaagman, Jan Willem; Mach, Karel; Spek, Anthony L.; Schreurs, Antoine M.M.; Haarman, Hendrikus F.; Vrieze, Kees; Elsevier, Cornelis J.","[2,6-Bis(<i>N</i>-<i>tert</i>-butyliminomethyl)pyridine-κ^3^<i>N</i>](phenolato-κ<i>O</i>)rhodium(I)","Acta Crystallographica Section C","1999","55","7","1052","1054","10.1107/S0108270199003868","","","0.71073","MoKα","","0.06","0.057","","","","0.123","","","","","","1.454","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008659","10.581","0.001","10.089","0.001","5.8151","0.0008","90","","103.894","0.002","90","","602.61","0.12","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- K Na O6 V2 -","- K Na O6 V2 -","- K4 Na4 O24 V8 -","4","0.5","BR1213","Yongkui Shan; Songping D. Huang","A potassium sodium double salt of metavanadate, KNa(VO~3~)~2~","Acta Crystallographica Section C","1999","55","7","1048","1050","10.1107/S0108270198017995","","","0.7107","MoKα","","0.035","0.025","","0.044","","0.037","","","0.87","","","0.831","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008660","17.749","0.003","9.021","0.003","9.059","0.002","90","","90","","90","","1450.5","0.6","293","2","293","2","","","","","","","","2","C m c a","-C 2ac 2","64","","pentabarium tetraantimonide","","- Ba5 Sb4 -","- Ba5 Sb4 -","- Ba20 Sb16 -","4","","BR1235","Derrien, Gaelle; Monconduit, Laure; Tillard, Monique; Belin, Claude","Pentabarium tetraantimonide, β-Ba~5~Sb~4~: a more symmetrical arrangement for the Ba~5~Sb~4~ compound","Acta Crystallographica Section C","1999","55","7","1044","1046","10.1107/S0108270199003984","","","0.71069","MoKα","","0.111","0.043","","","","0.102","","","","","","0.926","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008661","9.684","0.003","9.479","0.003","8.156","0.003","90","","95.33","0.02","90","","745.4","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane dichloride","","- C12 H26 Cl2 N4 -","- C12 H26 Cl2 N4 -","- C24 H52 Cl4 N8 -","2","0.5","BR1236","Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Tafeenko, Victor A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik","3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane dichloride from X-ray powder data","Acta Crystallographica Section C","1999","55","7","1099","1101","10.1107/S0108270199004138","","","1.54059","CuKα~1~","","","","","","","","","","2.33","","","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008662","9.198","0.001","10.559","0.001","10.593","0.001","68.94","0.01","79.01","0.01","67.41","0.01","884.8","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C38 H52 N4 O4 -","2","1","","Sievert, Mark; Nagel, Norbert; Bock, Hans; Dienelt, Rüdiger","Diisopropylammonium diphenylmethylnitronate at 200 K","Acta Crystallographica Section C","1999","55","","1149","1152","","","","","","","","0.0448","","","0.0965","","","","","","","","","","","has coordinates","31976","2020-10-21","18:00:00",""
"2008663","7.2665","0.0003","10.9212","0.0004","13.2862","0.0004","90","","96.477","0.001","90","","1047.65","0.07","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-hydroxyethyl)diisopropylammonium chloride","","- C8 H20 Cl N O -","- C8 H20 Cl N O -","- C32 H80 Cl4 N4 O4 -","4","1","DE1104","Mahmoudkhani, Amir Hossein; Langer, Vratislav","(2-Hydroxyethyl)diisopropylammonium chloride and its derivatives","Acta Crystallographica Section C","1999","55","7","1163","1167","10.1107/S010827019900356X","","","0.71073","MoKα","","0.078","0.047","","","","0.124","","","","","","1.031","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008664","8.9772","0.0002","8.069","0.0001","15.3032","0.0002","90","","95.937","0.001","90","","1102.57","0.03","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2-chloroethyl)diisopropylammonium chloride","","- C8 H19 Cl2 N -","- C8 H19 Cl2 N -","- C32 H76 Cl8 N4 -","4","1","DE1104","Mahmoudkhani, Amir Hossein; Langer, Vratislav","(2-Hydroxyethyl)diisopropylammonium chloride and its derivatives","Acta Crystallographica Section C","1999","55","7","1163","1167","10.1107/S010827019900356X","","","0.71073","MoKα","","0.043","0.03","","","","0.08","","","","","","1.062","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008665","25.091","0.0006","6.7447","0.0002","13.3049","0.0002","90","","90","","90","","2251.61","0.09","297","2","297","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","diisopropyl(2-mercaptoethyl)ammonium chloride","","- C8 H20 Cl N S -","- C8 H20 Cl N S -","- C64 H160 Cl8 N8 S8 -","8","2","DE1104","Mahmoudkhani, Amir Hossein; Langer, Vratislav","(2-Hydroxyethyl)diisopropylammonium chloride and its derivatives","Acta Crystallographica Section C","1999","55","7","1163","1167","10.1107/S010827019900356X","","","0.71073","MoKα","","0.039","0.032","","","","0.079","","","","","","1.09","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008666","10.003","0.001","14.744","0.001","17.242","0.002","90","","92.14","0.01","90","","2541.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquabis(2,2'-bipyridine)nickel (II) Diperchlorate","","- C20 H20 Cl2 N4 Ni O10 -","- C20 H20 Cl2 N4 Ni O10 -","- C80 H80 Cl8 N16 Ni4 O40 -","4","1","FG1527","Rodríguez-Martín, Yolanda; González-Platas, Javier; Ruiz-Pérez, Catalina","Diaquabis(2,2'-bipyridine-<i>N</i>,<i>N</i>')nickel(II) diperchlorate","Acta Crystallographica Section C","1999","55","7","1087","1090","10.1107/S0108270199003881","","","0.71073","MoKα","","0.085","0.045","","","","0.143","","","","","","1.012","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008667","9.573","0.001","10.19","0.001","19.213","0.002","90","","90.32","0.01","90","","1874.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(5,6-Dimethyl-1,10-phenanthroline-N,N')(nitrato-O)(salicylaldehydato-O,O) copper(II)","","- C21 H17 Cu N3 O5 -","- C21 H17 Cu N3 O5 -","- C84 H68 Cu4 N12 O20 -","4","1","FR1120","Gasque, Laura; Moreno-Esparza, Rafael; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo","(5,6-Dimethyl-1,10-phenanthroline)(nitrato)(salicylaldehydato)copper(II)","Acta Crystallographica Section C","1999","55","7","1063","1065","10.1107/S0108270199001018","","","0.71073","MoKα","","0.083","0.045","","","0.103","0.118","","","","","","1.056","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008668","10.67","0.001","11.752","0.001","12.099","0.001","83.93","0.01","72.21","0.01","74.02","0.01","1388.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aqua(4,7-diphenyl-1,10-phenanthroline)(salicylaldehydato)copper(II) nitrate monohydrate","","- C31 H25 Cu N3 O7 -","- C31 H25 Cu N3 O7 -","- C62 H50 Cu2 N6 O14 -","2","1","FR1122","Gasque, Laura; Moreno-Esparza, Rafael; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo","Aqua(4,7-diphenyl-1,10-phenanthroline)(salicylaldehydato)copper(II) nitrate monohydrate","Acta Crystallographica Section C","1999","55","7","1065","1067","10.1107/S0108270199001572","","","0.71073","MoKα","","0.078","0.051","","","0.127","0.144","","","","","","1.019","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008669","17.432","0.004","17.339","0.004","11.538","0.004","90","","124.49","0.02","90","","2874.4","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,4-bis(2'-formylphenyl)-1,4-dioxabutane bisthiosemicarbazone","2,2'-ethylenedioxydibenzaldehyde bis(thiosemicarbazone) bis(dimethyl sulfoxide)","","- C22 H32 N6 O4 S4 -","- C22 H32 N6 O4 S4 -","- C88 H128 N24 O16 S16 -","4","0.5","FR1153","Xu-Hui Zhu; Xiao-Feng Chen; Yong-Jiang Liu; Cun-Ying Duan; Xiao-Zeng You; Yu-Peng Tian; Fu-Xing Xie","2,2'-Ethylenedioxydibenzaldehyde bis(thiosemicarbazone) bis(dimethyl sulfoxide)","Acta Crystallographica Section C","1999","55","7","1175","1176","10.1107/S0108270199002334","","","0.71073","MoKα","","0.056","0.04","","0.111","0.102","","","","1.024","1.064","1.064","","","","","has coordinates,has disorder,has Fobs","301791","2025-08-18","23:15:33",""
"2008670","10.6433","0.0012","20.6568","0.0013","8.5187","0.0011","90","","91.762","0.002","90","","1872","0.3","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 Cd3 N4 O8 -","- C38 H38 Cd3 N4 O8 -","- C76 H76 Cd6 N8 O16 -","2","0.5","FR1176","Atakol, Orhan; Aksu, Mecit; Ercan, Filiz; Arici, Cengiz; Tahir, M. Nawaz; Ülkü, Dinçer","A linear trinuclear Cd^II^–Cd^II^–Cd^II^ complex with a μ-acetato bridge: bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato]cadmium(II)}cadmium(II)","Acta Crystallographica Section C","1999","55","7","1072","1075","10.1107/S0108270199004333","","","0.71073","MoKα","","","0.028","","","0.037","","","","","0.9","0.9","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008671","17.0422","0.0003","13.5414","0.0002","13.1573","0.0002","90","","109.06","0.001","90","","2869.92","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Benzylpiperidin-1-yl)glyoxal doixime","","- C14 H19 N3 O2 -","- C14 H19 N3 O2 -","- C112 H152 N24 O16 -","8","2","FR1184","Sema Öztürk; Şamil Işık; Mustafa Macit; Hoong-Kun Fun","1-(4-Benzylpiperidin-1-yl)glyoxal dioxime","Acta Crystallographica Section C","1999","55","7","1132","1134","10.1107/S0108270199004242","","","0.71073","MoKα","","0.059","0.044","","","","0.122","","","","","","1.028","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008672","7.691","0.001","9.1327","0.0008","10.982","0.001","75.815","0.008","71.109","0.008","89.304","0.01","705.67","0.14","296","","296","","","","","","","","","3","P -1","-P 1","2","2,2'-dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarboxaldehyde","","","- C16 H14 O6 -","- C16 H14 O6 -","- C32 H28 O12 -","2","1","FR1197","Gerkin, Roger E.","Hydrogen bonding and C—H···O interactions in 2,2'-dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarbaldehyde","Acta Crystallographica Section C","1999","55","7","1176","1179","10.1107/S010827019900445X","","","0.71073","MoKα","","","0.047","","","0.08","","","","","1.98","1.98","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008673","7.547","0.002","8.035","0.001","10.24","0.001","77.78","0.01","86.62","0.01","65.46","0.01","551.77","0.18","296","","296","","","","","","","","","4","P -1","-P 1","2","quinolinium-4-carboxylate trihydrate","","","- C10 H13 N O5 -","- C10 H13 N O5 -","- C20 H26 N2 O10 -","2","1","FR1203","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding in quinolinium-4-carboxylate trihydrate","Acta Crystallographica Section C","1999","55","7","1192","1195","10.1107/S0108270199004849","","","0.71073","MoKα","","","0.049","","","","0.078","","","","","","1.27","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008674","8.376","0.001","9.7236","0.0009","12.325","0.001","90","","96.9","0.01","90","","996.54","0.17","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(isopropylthio)benzoic acid","","","- C10 H12 O2 S -","- C10 H12 O2 S -","- C40 H48 O8 S4 -","4","1","FR1205","Gerkin, Roger E.","2-(Isopropylthio)benzoic acid","Acta Crystallographica Section C","1999","55","7","1190","1192","10.1107/S0108270199005582","","","0.71073","MoKα","","","0.046","","","","0.068","","","","","","1.66","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008675","11.568","0.001","14.356","0.002","16.243","0.001","90","","98.3","0.01","90","","2669.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetra(ethyl)ammonium tetraiodo(diethyldithiocarbamato)tellurate(IV)","tetra(ethyl)ammonium tetraiodo(diethyldithiocarbamato)tellurate(IV)","","- C13 H30 I4 N2 S2 Te -","- C13 H30 I4 N2 S2 Te -","- C52 H120 I16 N8 S8 Te4 -","4","1","GD1007","R. Krishna Kumar; G. Aravamudan; Kandasamy Sivakumar; Hoong-Kun Fun","Tetraethylammonium (<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')tetraiodotellurate(IV)","Acta Crystallographica Section C","1999","55","7","1121","1123","10.1107/S0108270199003261","","","0.71073","MoKα","","0.059","0.037","","","","0.096","","","","","","0.934","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008676","17","0.002","14.369","0.002","13.485","0.002","90","","91.32","0.01","90","","3293.1","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ni(t-salpd)","","","- C18 H18 N2 Ni O0.5 S2 -","- C18 H18 N2 Ni O0.5 S2 -","- C144 H144 N16 Ni8 O4 S16 -","8","2","GD1011","Gomes, Ligia; Pereira, Eulalia; de Castro, Baltazar","A nickel complex with a tetradentate N~2~S~2~ Schiff base ligand","Acta Crystallographica Section C","1999","55","7","1061","1063","10.1107/S0108270199004163","","","0.71073","MoKα","","0.067","0.043","","0.121","0.099","","","","1.215","1.217","1.217","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008677","9.968","0.003","4.475","0.002","14.906","0.002","90","","93.52","0.02","90","","663.7","0.4","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 N2 O3 -","- C5 H8 N2 O3 -","- C20 H32 N8 O12 -","4","1","GD1019","Okabe, Nobuo; Hayashi,Tomomi","Imidazole-4-acetic acid monohydrate","Acta Crystallographica Section C","1999","55","7","1142","1144","10.1107/S0108270199004023","","","0.71069","MoKα","","","0.072","","","","0.112","","","","","","1.21","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008678","15.5486","0.001","7.7295","0.0005","25.647","0.003","90","","96.005","0.006","90","","3065.4","0.5","290","1","290","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Di-2-(pyrrolyl)methylferrocene","Di-2-(pyrrolyl)methylferrocene","","- C19 H18 Fe N2 -","- C19 H18 Fe N2 -","- C152 H144 Fe8 N16 -","8","2","GD1024","Gallagher, John F.; Moriarty, Elena","Intermolecular (pyrrole)N—H···π(pyrrole) interactions in bis(2-pyrrolyl)methylferrocene, an organometallic porphyrin precursor","Acta Crystallographica Section C","1999","55","7","1079","1082","10.1107/S0108270199003625","","","0.7107","MoKα","","0.1019","0.0405","","","","0.0764","","","","","","0.932","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008679","6.842","0.002","12.156","0.003","14.184","0.003","90","","92.32","0.03","90","","1178.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(2-Nitroprop-2-yl)quinoline-5-carbonitrile","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","1","GS1022","Ján Lokaj; Viktor Kettmann; Vladimír Macháček; Aleš Halama","6-(2-Nitroprop-2-yl)quinoline-5-carbonitrile","Acta Crystallographica Section C","1999","55","7","1101","1103","10.1107/S0108270199002772","","","0.71073","MoKα","","0.108","0.047","","0.122","0.094","","","","0.908","1.125","1.125","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008680","8.067","0.003","9.699","0.004","12.191","0.004","90","","100.19","0.03","90","","938.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,6,7,8,8a,9-hexahydrothieno[2,3-f]indolizine-6,9-dione","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C40 H36 N4 O8 S4 -","4","1","GS1027","Ján Lokaj; Viktor Kettmann; Stephan Marchalin","4,6,7,8,8a,9-Hexahydrothieno[3,2-<i>f</i>]indolizine-6,9-dione","Acta Crystallographica Section C","1999","55","7","1103","1105","10.1107/S0108270199001055","","","0.71073","MoKα","","0.088","0.048","","0.134","0.091","","","","0.968","1.105","1.105","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008681","6.6557","0.0008","20.988","0.003","9.5188","0.0015","90","","95.473","0.014","90","","1323.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","7-Iodo-3-isopropylamino-4H-1,2,4-benzothiadiazine 1,1-dioxide","","- C10 H12 I N3 O2 S -","- C10 H12 I N3 O2 S -","- C40 H48 I4 N12 O8 S4 -","4","1","GS1034","Dupont, Léon; Pirotte, Bernard; de Tullio, Pascal","7-Iodo-3-isopropylamino-4<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide","Acta Crystallographica Section C","1999","55","7","1152","1154","10.1107/S0108270199000669","","","1.5418","CuKα","","0.0864","0.0512","","","","0.1406","","","","","","0.926","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008682","8.5295","0.0004","11.4017","0.0005","11.5115","0.0005","85.406","0.001","72.81","0.001","80.316","0.001","1053.71","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,2-Di(2-methoxyphenyl)-4-methyl[2H]benzo[h]chromene","","- C28 H24 O3 -","- C28 H24 O3 -","- C56 H48 O6 -","2","1","HA1251","Kandasamy Chinnakali; Kamaraj Sriraghavan; Hoong-Kun Fun; Vayalakkavoor T.Ramakrishnan","2,2-Bis(2-methoxyphenyl)-4-methyl-2<i>H</i>-benzo[<i>h</i>]chromene","Acta Crystallographica Section C","1999","55","7","1123","1125","10.1107/S0108270199001845","","","0.71073","MoKα","","0.068","0.048","","","","0.141","","","","","","1.027","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008683","6.421","0.0002","16.6897","0.0003","11.7575","0.0003","90","","98.738","0.001","90","","1245.36","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9a-propargyl-1,2,3,10-tetrahydrofluorene-3,9-dione","","- C16 H12 O2 -","- C16 H12 O2 -","- C64 H48 O8 -","4","1","HA1252","Kandasamy Chinnakali; Hoong-Kun Fun; Desikan Rajagopal; Sambasivam Swaminathan; Kamaraj Sriraghavan","9a-Propargyl-1,2,3,9-tetrahydrofluorene-3,9-dione","Acta Crystallographica Section C","1999","55","7","1135","1136","10.1107/S0108270199001857","","","0.71073","MoKα","","0.082","0.056","","","","0.135","","","","","","1.119","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008684","22.8032","0.001","7.639","0.002","16.986","0.002","90","","106.29","0.01","90","","2840.1","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-Diphenylguanidinium dihydrogen phosphate","","- C13 H16 N3 O4 P -","- C13 H16 N3 O4 P -","- C104 H128 N24 O32 P8 -","8","1","HA1254","Pereira Silva, P. S.; Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.","<i>N</i>,<i>N</i>'-Diphenylguanidinium dihydrogen phosphate","Acta Crystallographica Section C","1999","55","7","1096","1099","10.1107/S0108270199004084","","","0.71073","MoKα","","0.042","0.027","","","","0.08","","","","","","1.035","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008685","7.887","0.009","8.358","0.004","13.98","0.01","90","0.06","103.49","","90","","896.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(acetato-O)bis(2-amino-6-methylpyridine-N)copper(II)","","- C16 H22 Cu N4 O4 -","- C16 H22 Cu N4 O4 -","- C32 H44 Cu2 N8 O8 -","2","0.5","HA1255","Lah, Nina; Golič, Ljubo; Šegedin, Primož; Leban, Ivan","<i>trans</i>-Bis(acetato-<i>O</i>)bis(2-amino-6-methylpyridine-<i>N</i>)copper(II)","Acta Crystallographica Section C","1999","55","7","1056","1058","10.1107/S0108270199004345","","","0.71073","MoKα","","0.073","0.034","","","","0.086","","","","","","1.035","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008686","11.507","0.002","15.225","0.005","24.573","0.009","90","","90","","90","","4305","2","110","1","110","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,2R)-1-Amino-2-methoxycyclohexane-1-carboxamide hydrochloride 0.25 hydrate","","- C8 H17.5 Cl N2 O2.25 -","- C8 H17.5 Cl N2 O2.25 -","- C128 H280 Cl16 N32 O36 -","16","4","JZ1343","Pai Fondekar, Kamalesh; Volk, Franz-Josef; Weckert, Edgar; Frahm, August W.","(1<i>S</i>,2<i>R</i>)-1-Amino-2-methoxycyclohexane-1-carboxamide hydrochloride 0.25-hydrate","Acta Crystallographica Section C","1999","55","7","1167","1170","10.1107/S0108270199003522","","","0.71069","MoKα","","0.025","0.024","","","","0.063","","","","","","1.056","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008687","16.185","0.007","9.11","0.003","17.535","0.008","90","","116.85","0.02","90","","2306.7","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","pentacarbonyl-cyclopentadiene-(μ-dicylclohexylphosphanido)manganese-rhodium","","- C22 H27 Mn O5 P Rh -","- C22 H27 Mn O5 P Rh -","- C88 H108 Mn4 O20 P4 Rh4 -","4","1","JZ1346","Flörke, Ulrich; Haupt, Hans-Jürgen","Pentacarbonyl-1κ^4^<i>C</i>,2κ<i>C</i>-[2(η^5^)-cyclopentadienyl]-μ-dicyclohexylphosphido-1:2κ^2^<i>P</i>-manganeserhodium(<i>Mn</i>—<i>Rh</i>)","Acta Crystallographica Section C","1999","55","7","1051","1052","10.1107/S0108270199004175","","","0.71073","MoKα","","0.094","0.047","","0.1","","0.083","","","1.025","","","1.072","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008688","13.73","0.005","11.334","0.003","13.848","0.005","90","","109.15","0.02","90","","2035.7","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tripropargylammonium chloride","","","- C9 H10 Cl N -","- C9 H10 Cl N -","- C72 H80 Cl8 N8 -","8","2","","Steiner, Thomas; Schreurs, Antoine M. M.; Kroon, Jan","Tris(prop-2-ynyl)ammonium chloride","Acta Crystallographica Section C","1999","55","","1156","1168","","","","","","","","","","","","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008689","10.516","0.007","11.484","0.006","11.705","0.007","113.89","0.04","112.11","0.04","95.83","0.04","1142.3","1.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H70 Fe2 Na2 O8 S6 -","- C24 H70 Fe2 Na2 O8 S6 -","- C24 H70 Fe2 Na2 O8 S6 -","1","0.5","KA1304","Ralf Hauptmann; Jörg Lackmann; Changneng Chen; Gerald Henkel","Di-μ-aqua-bis[(trimethanol-<i>O</i>)sodium] <i>anti</i>-bis(μ-2-propanethiolato-<i>S</i>:<i>S</i>)bis[bis(2-propanethiolato-<i>S</i>)iron(II)] and bis(benzyltrimethylammonium) <i>anti</i>-bis(μ-2-propaneselenolato-<i>Se</i>:<i>Se</i>)bis[bis(2-propaneselenolato-<i>Se</i>)iron(II)]","Acta Crystallographica Section C","1999","55","7","1084","1087","10.1107/S0108270199003704","","","0.71073","MoKα","","","0.0451","","","","0.1201","","","","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008690","10.322","0.008","10.482","0.007","13.259","0.008","97.64","0.005","103.98","0.05","115.43","0.005","1210.5","1.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H74 Fe2 N2 Se6 -","- C38 H74 Fe2 N2 Se6 -","- C38 H74 Fe2 N2 Se6 -","1","0.5","KA1304","Ralf Hauptmann; Jörg Lackmann; Changneng Chen; Gerald Henkel","Di-μ-aqua-bis[(trimethanol-<i>O</i>)sodium] <i>anti</i>-bis(μ-2-propanethiolato-<i>S</i>:<i>S</i>)bis[bis(2-propanethiolato-<i>S</i>)iron(II)] and bis(benzyltrimethylammonium) <i>anti</i>-bis(μ-2-propaneselenolato-<i>Se</i>:<i>Se</i>)bis[bis(2-propaneselenolato-<i>Se</i>)iron(II)]","Acta Crystallographica Section C","1999","55","7","1084","1087","10.1107/S0108270199003704","","","0.71073","MoKα","","","0.0341","","","","0.0827","","","","1.016","1.016","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008691","11.356","0.001","9.843","0.001","14.452","0.002","90","","91.56","0.01","90","","1614.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Chloro-1-(α-chloroacetyl)-1,2,3,4-tetrahydro-4-methylquinoline-2- spirocyclohexane","","- C17 H21 Cl2 N O -","- C17 H21 Cl2 N O -","- C68 H84 Cl8 N4 O4 -","4","1","KA1310","Henao-Martínez, José Antonio; Palma, Alirio R.; Kouznetsov, Vladimir V.; Aguirre-Hernández, Gerardo; Fernando-Ortega, Chicote; Soriano-García, Manuel","6-Chloro-1-(α-chloroacetyl)-1,2,3,4-tetrahydro-4-methylquinoline-2-spirocyclohexane","Acta Crystallographica Section C","1999","55","7","1181","1183","10.1107/S0108270199003376","","","0.71073","MoKα","","0.109","0.053","","0.177","0.133","","","","1.157","1.257","1.257","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008692","9.485","0.0013","11.769","0.002","14.596","0.002","104.889","0.012","96.663","0.012","90.451","0.009","1562.8","0.4","135","","","","","","","","","","","4","P -1","-P 1","2","","(±)-(3'aα,4'β,6'aα)-1',3',3'a,6'a-Tetrahydro-5,5,N,N- tetramethyl-spiro[1,3-dioxane-2,2'(1'H)-pentalene]-4'- acetamide","","- C17 H27 N O3 -","- C17 H27 N O3 -","- C68 H108 N4 O12 -","4","2","KA1316","Jan W. Bats; Öhlinger, Stefan H.; Mulzer, Johann","(+/-)-(3'aα,4'α,6'aα)-3',3'a,4',6'a-Tetrahydro-5,5,<i>N</i>,<i>N</i>-tetramethylspiro[1,3-dioxane-2,2'(1'<i>H</i>)-pentalene]-4'-acetamide, a triclinic crystal structure with local monoclinic pseudosymmetry","Acta Crystallographica Section C","1999","55","7","1158","1160","10.1107/S0108270199003765","","","0.71073","MoKα","","","0.056","","","0.052","","","","","1.07","1.07","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008693","9.2544","0.0001","14.5543","0.0004","9.6994","0.0002","90","","105.435","0.001","90","","1259.31","0.05","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(4-methylphenyl)-3-phenyl-4H-1,2,4-triazole","","- C15 H13 N3 -","- C15 H13 N3 -","- C60 H52 N12 -","4","1","LN1079","Kandasamy Chinnakali; Hoong-Kun Fun; Annamalai Senthilvelan; Kamaraj Sriraghavan; Vayalakkavoor T. Ramakrishnan","4-(4-Methylphenyl)-3-phenyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","1999","55","7","1136","1138","10.1107/S0108270199002693","","","0.71073","MoKα","","0.074","0.046","","","","0.12","","","","","","1.043","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008694","11.944","0.0002","16.541","0.0003","24.4068","0.0004","71.432","0.001","78.541","0.001","74.63","0.001","4372.89","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Trimethyl (5SR,6SR)-1,3-dichloro-8-(diethylamino)-5,6-dihydro-5- hydroxyisoquinoline-5,6,7-tricarboxylate","","- C19 H22 Cl2 N2 O7 -","- C19 H22 Cl2 N2 O7 -","- C152 H176 Cl16 N16 O56 -","8","4","LN1080","Tarun Kumar Sarkar; Sunil Kumar Ghosh; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun","Trimethyl (5<i>SR</i>,6<i>SR</i>)-1,3-dichloro-8-diethylamino-5,6-dihydro-5-hydroxyisoquinoline-5,6,7-tricarboxylate","Acta Crystallographica Section C","1999","55","7","1140","1142","10.1107/S010827019900311X","","","0.71073","MoKα","","0.121","0.055","","","","0.168","","","","","","1.006","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008695","11.7954","0.0005","7.6537","0.0003","46.732","0.002","90","","90","","90","","4218.9","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2RS,5RS)-2,5-bis[3-(4-methylphenyl)-3-oxopropyl]cyclopentan-1-one","","- C25 H28 O3 -","- C25 H28 O3 -","- C200 H224 O24 -","8","1","LN1083","H. Surya Prakash Rao; S. P. Senthilkumar; Kandasamy Chinnakali; Hoong-Kun Fun","(2<i>RS</i>,5<i>RS</i>)-2,5-Bis[3-(4-methylphenyl)-3-oxopropyl]cyclopentan-1-one","Acta Crystallographica Section C","1999","55","7","1130","1132","10.1107/S0108270199004151","","","0.71073","MoKα","","0.107","0.068","","","","0.148","","","","","","1.14","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008696","11.67","0.003","8.538","0.002","34.208","0.01","90","","92.58","0.02","90","","3405","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaqua-[2-(2,6-dichloroanilino)phenyl]acetate magnesium","","- C28 H36 Cl4 Mg N2 O12 -","- C28 H36 Cl4 Mg N2 O12 -","- C112 H144 Cl16 Mg4 N8 O48 -","4","1","NA1405","Castellari, Carlo; Comelli, Fabio; Ottani, Stefano","A hydrated diclofenac salt of the hexaaquamagnesium ion","Acta Crystallographica Section C","1999","55","7","1054","1056","10.1107/S0108270199004096","","","0.71069","MoKα","","0.207","0.047","","","","0.158","","","","","","0.931","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008697","5.474","0.003","5.51","0.003","36.15","0.01","90","0.009","90","0.009","90","0.009","1090.3","0.9","293","","293","","","","","","","","","4","B b 21 m","B -2 -2b","36","","dicalcium disodium tetraniobium tridecaoxide","","- Ca2 Na2 Nb4 O13 -","- Ca2.01 Na1.99 Nb4 O13 -","- Ca8.04 Na7.96 Nb16 O52 -","4","0.5","OA1080","Chiba, Koji; Ishizawa, Nobuo; Oishi, Shuji","A Ruddlesden‒Popper-type layered perovskite, Na~2~Ca~2~Nb~4~O~13~","Acta Crystallographica Section C","1999","55","7","1041","1044","10.1107/S0108270199001134","","","0.7107","MoKα","","0.044","0.044","","0.026","0.026","","","","1.993","1.993","1.993","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2008698","9.563","0.001","9.657","0.001","6.935","0.002","100.89","0.02","102.54","0.02","90.26","0.01","613.2","0.2","299","","299","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Cl2 N O5 -","- C11 H9 Cl2 N O5 -","- C22 H18 Cl4 N2 O10 -","2","1","OA1082","Ishida, Hiroyuki; Kashino, Setsuo","Pyridinium and 1,2-diazinium salts of chloranilic acid","Acta Crystallographica Section C","1999","55","7","1149","1152","10.1107/S0108270199003777","","","0.71073","MoKα","","0.08","0.055","","0.058","","0.049","","","1.33","","","1.33","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008699","3.799","0.001","20.292","0.005","9.675","0.002","90","","99.69","0.02","90","","735.2","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 N4 O4 -","- C14 H10 Cl2 N4 O4 -","- C28 H20 Cl4 N8 O8 -","2","0.5","OA1082","Ishida, Hiroyuki; Kashino, Setsuo","Pyridinium and 1,2-diazinium salts of chloranilic acid","Acta Crystallographica Section C","1999","55","7","1149","1152","10.1107/S0108270199003777","","","0.71073","MoKα","","0.06","0.048","","0.078","","0.061","","","1.55","","","1.55","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008700","10.796","0.003","7.755","0.002","19.315","0.002","90","","90.8","0.01","90","","1617","0.6","297","","273.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","exo-[(RS,SR)-N,N'-Bis(salicylidene)-2,3-butanediaminato]oxovanadium(IV)","","","- C18 H18 N2 O3 V -","- C18 H18 N2 O3 V -","- C72 H72 N8 O12 V4 -","4","1","OA1084","Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru","<i>exo</i>-[(<i>RS</i>,<i>SR</i>)-<i>N</i>,<i>N</i>'-Bis(salicylidene)-2,3-butanediaminato]oxovanadium(IV)","Acta Crystallographica Section C","1999","55","7","1082","1084","10.1107/S0108270199004187","","","0.71073","MoKα","","0.061","0.036","","","","0.064","","","","","","1.262","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008701","16.014","0.002","16.097","0.001","9.7547","0.0007","95.827","0.006","104.757","0.007","84.81","0.008","2413.6","0.4","248.2","","248","","","","","","","","","3","P -1","-P 1","2","2,2,8,8-tetramethoxy-1a,9-bis(methylacrylato)- 1,4-etheno-octahydronaphthalene-6-ene-3,7-dione","dimethyl 8,8-dimethoxy-7-oxo-1,4-(1,1-dimethoxy-2-oxoethano)- 1,4,4a,7,8,8a-hexahydronaphthalene-2,4a-diyldiacrylate","","- C24 H28 O10 -","- C24 H27.5 O10 -","- C96 H110 O40 -","4","2","OA1086","Yoshihara, Ryouko; Mori, Kazuki; Nishiyama, Shigeru; Yamamura, Syousuke; Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","An asatone-type neolignan and its photocage product","Acta Crystallographica Section C","1999","55","7","1144","1147","10.1107/S0108270199004205","","","1.54184","CuKα","","","0.05","","","","0.102","","","","","","1.62","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008702","15.356","0.003","8.659","0.003","17.271","0.004","90","","94.31","0.02","90","","2290","1.1","248","","248","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","dimethyl 6,6,12,12-tetramethoxy-5,11-dioxotetracyclo[6.2.2.0^3,10^.0^4,9^] dodecane-2,9-diyldiacrylate","","- C24 H28 O10 -","- C24 H28 O10 -","- C96 H112 O40 -","4","1","OA1086","Yoshihara, Ryouko; Mori, Kazuki; Nishiyama, Shigeru; Yamamura, Syousuke; Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","An asatone-type neolignan and its photocage product","Acta Crystallographica Section C","1999","55","7","1144","1147","10.1107/S0108270199004205","","","1.54184","CuKα","","","0.063","","","","0.122","","","","","","1.571","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008703","10.1673","0.0001","10.1932","0.0002","15.4592","0.0002","90","","102.048","0.001","90","","1566.86","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","deoxycholic acid, tris(hydroxymethyl) amino methane, water","tris(hydroxymethyl)methyl ammonium 3α,12α-dihydroxy-5β-cholan-24-oate trihydrate","","- C28 H57 N O10 -","- C28 H57 N O10 -","- C56 H114 N2 O20 -","2","1","OS1052","Tusvik, Per Helge; Mostad, Arvid; Dalhus, Bjørn; Rosenqvist, Einar","A 1:1 complex between deoxycholate and tris(hydroxymethyl)methylammonium","Acta Crystallographica Section C","1999","55","7","1113","1115","10.1107/S0108270199004370","","","0.71073","MoKα","","0.042","0.035","","0.092","0.084","","","","1.057","1.04","1.04","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008704","9.9166","0.0002","4.7247","0.0001","15.3292","0.0003","90","","102.349","0.001","90","","701.6","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Norvaline:D-Norleucine","","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","- C22 H48 N4 O8 -","2","1","OS1053","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series","Acta Crystallographica Section C","1999","55","7","1105","1112","10.1107/S0108270199003649","","","0.71073","MoKα","","0.0567","0.0448","","0.1271","0.1161","","","","1.049","1.053","1.053","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008705","9.8756","0.0002","4.7029","0.0001","16.4192","0.0003","90","","107.328","0.0007","90","","727.96","0.03","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Methionine:D-Norleucine","","- C11 H24 N2 O4 S -","- C11 H24 N2 O4 S -","- C22 H48 N4 O8 S2 -","2","1","OS1053","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series","Acta Crystallographica Section C","1999","55","7","1105","1112","10.1107/S0108270199003649","","","0.71073","MoKα","","0.028","0.0254","","0.0697","0.0682","","","","1.059","1.07","1.07","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008706","29.5751","0.0004","4.7386","0.0001","9.9402","0.0001","90","","102.711","0.0008","90","","1358.92","0.04","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Valine:D-Norleucine","","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","- C44 H96 N8 O16 -","4","1","OS1053","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series","Acta Crystallographica Section C","1999","55","7","1105","1112","10.1107/S0108270199003649","","","0.71073","MoKα","","0.0496","0.038","","0.1057","0.0951","","","","1.052","1.049","1.049","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008707","31.4433","0.0004","4.7622","0.0001","9.9363","0.0002","90","","100.838","0.0004","90","","1461.32","0.05","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-alloIsoleucine:D-Norleucine","","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","- C48 H104 N8 O16 -","4","1","OS1053","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series","Acta Crystallographica Section C","1999","55","7","1105","1112","10.1107/S0108270199003649","","","0.71073","MoKα","","0.0485","0.0394","","0.1052","0.098","","","","1.075","1.066","1.066","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008708","5.1778","0.0001","27.8078","0.0005","5.3995","0.0001","90","","112.303","0.001","90","","719.28","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Leucine:D-Norleucine","","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","- C24 H52 N4 O8 -","2","1","OS1053","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series","Acta Crystallographica Section C","1999","55","7","1105","1112","10.1107/S0108270199003649","","","0.71073","MoKα","","0.067","0.0587","","0.1354","0.1308","","","","1.192","1.22","1.22","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:33",""
"2008709","15.423","0.002","18.571","0.004","5.8691","0.0008","90","","90","","90","","1681","0.5","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","1,1-di(4-methoxy phenyl)-3,3-dimethyl-2-butanone","","","- C20 H24 O3 -","- C20 H24 O3 -","- C80 H96 O12 -","4","0.5","QA0119","Srinivasan S. Kuduva; Amy K. Katz; H. L. Carrell; Gautam R. Desiraju","1,1-Bis(4-methoxyphenyl)-3,3-dimethylbutan-2-one","Acta Crystallographica Section C","1999","55","7","IUC9900073","","10.1107/S0108270199099230","","","0.71073","MoKα","","0.113","0.059","","","","0.177","","","","","","0.905","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008710","5.1387","0.0002","22.5026","0.001","10.141","0.0004","90","","101.69","","90","","1148.32","0.08","174","2","174","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5-dibromophthalic acid monoethylester","","- C10 H8 Br2 O4 -","- C10 H8 Br2 O4 -","- C40 H32 Br8 O16 -","4","1","QA0129","Britton, Doyle","Ethyl hydrogen 4,5-dibromophthalate","Acta Crystallographica Section C","1999","55","7","IUC9900071","","10.1107/S0108270199099229","","","0.71073","MoKα","","0.046","0.035","","0.078","","0.074","","","1.095","","","1.132","","","","has coordinates,has disorder","301791","2025-08-18","23:15:33",""
"2008711","6.7579","0.0012","6.8393","0.001","11.0376","0.0017","90","","101.307","0.014","90","","500.25","0.14","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1'-deoxy-1'-(3-fluorophenyl)-β-D-ribofuranose","","- C11 H13 F O4 -","- C11 H13 F O4 -","- C22 H26 F2 O8 -","2","1","QA0131","Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.","1-Deoxy-1-(3-fluorophenyl)-β-<small>D</small>-ribofuranose","Acta Crystallographica Section C","1999","55","7","IUC9900070","","10.1107/S0108270199099205","","","0.71073","MoKα","","0.038","0.035","","","","0.091","","","","","","1.44","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008712","7.5544","0.0017","8.5939","0.0012","14.489","0.002","77.136","0.011","86.8","0.015","88.879","0.016","915.6","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 N2 O3 S -","- C7 H10 N2 O3 S -","- C28 H40 N8 O12 S4 -","4","2","QA0133","Kennedy, Alan R.; Khalaf, Abedawn I.; Pitt, Andrew R.; Scobie, Martin; Suckling, Colin J.; Urwin, John; Waigh, Roger D.; Young, Stephen C.","Methyl 2-amino-4-(methoxymethyl)thiazole-5-carboxylate","Acta Crystallographica Section C","1999","55","7","IUC9900072","","10.1107/S0108270199099199","","","0.71069","MoKα","","0.068","0.035","","","","0.105","","","","","","1.022","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008713","11.938","0.008","24.421","0.005","7.8395","0.0012","90","","90","","90","","2285.5","1.6","298.2","","298.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N2 O4 -","- C25 H28 N2 O4 -","- C100 H112 N8 O16 -","4","1","QA0134","K. Vyas; K. Shashi Rekha; P. Rajender Kumar; S. Raju; M. R. Sarma; G. Om Reddy","A diketopiperazine derivative of quinapril","Acta Crystallographica Section C","1999","55","7","IUC9900077","","10.1107/S0108270199099187","","","1.5418","CuKα","","0.062","0.058","","0.077","","0.076","","","1.834","","","1.847","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008714","13.2435","0.0019","5.1116","0.0008","15.52","0.003","90","","102.2","0.013","90","","1026.9","0.3","133","2","133","2","","","","","","","","4","C 1 2 1","C 2y","5","","1'-deoxy-1'-(2-fluorophenyl)-β-D-ribofuranose","","- C11 H13 F O4 -","- C11 H13 F O4 -","- C44 H52 F4 O16 -","4","1","QA0135","Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.","1-Deoxy-1-(2-fluorophenyl)-β-<small>D</small>-ribofuranose","Acta Crystallographica Section C","1999","55","7","IUC9900069","","10.1107/S0108270199099217","","","0.71073","MoKα","","0.034","0.032","","","","0.09","","","","","","1.194","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008715","24.015","0.004","10.396","0.004","10.41","0.004","90","","91.48","0.02","90","","2598.1","1.5","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","8-Methyltricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione","","","- C15 H20 O2 -","- C15 H20 O2 -","- C120 H160 O16 -","8","1","QA0136","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","8-Methyltricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione and 7,12-dihydroxy-9,12-dimethyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one methanol solvate","Acta Crystallographica Section C","1999","55","7","IUC9900068","","10.1107/S0108270199099175","","","0.71073","MoKα","","","0.0536","","","","0.1118","","","","","","1.128","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008716","15.096","0.002","8.434","0.001","25.095","0.001","90","","105.02","0.01","90","","3085.9","0.6","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","7,12-dihydroxy-9,12-dimethyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan- 13-one monomethanol solvate","","","- C16 H26 O4 -","- C16 H26 O4 -","- C128 H208 O32 -","8","1","QA0136","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","8-Methyltricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione and 7,12-dihydroxy-9,12-dimethyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one methanol solvate","Acta Crystallographica Section C","1999","55","7","IUC9900068","","10.1107/S0108270199099175","","","0.71073","MoKα","","","0.0495","","","","0.0915","","","","","","1.316","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008717","5.8094","0.0013","10.466","0.003","19.605","0.005","90","","90.998","0.019","90","","1191.8","0.5","130","2","130","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Biphenylene","","- C12 H8 -","- C12 H8 -","- C72 H48 -","6","1.5","QA0137","Boese, Roland; Bläser, Dieter; Latz, Rüdiger","Redetermination of biphenylene at 130K","Acta Crystallographica Section C","1999","55","7","IUC9900067","","10.1107/S0108270199099163","","","0.71073","MoKα","","0.064","0.052","","","","0.149","","","","","","1.031","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008718","15.373","0.003","6.536","0.001","17.8","0.004","90","","100.61","0.01","90","","1757.9","0.6","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C88 H80 O16 -","8","2","QA0139","Söntgen, Olaf; Bolte, Michael","1,4,4a,5,8,8a-Hexahydro-1,4-methanonaphthalene-5,8-dione","Acta Crystallographica Section C","1999","55","7","IUC9900076","","10.1107/S0108270199099151","","","0.71073","MoKα","","0.078","0.048","","","","0.12","","","","","","1.018","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008719","10.3746","0.0004","13.7857","0.0005","7.9098","0.0004","90","","96.637","0.002","90","","1123.69","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-cyano-2,6-dichlorophenylimino)imidazolidine","","- C10 H8 Cl2 N4 -","- C10 H8 Cl2 N4 -","- C40 H32 Cl8 N16 -","4","1","QB0091","E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo","Substituted clonidine derivatives. I. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzonitrile and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzonitrile","Acta Crystallographica Section C","1999","55","7","IUC9900066","","10.1107/S010827019909914X","","","0.71073","MoKα","","0.153","0.068","","","","0.158","","","","","","1.035","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008720","9.8442","0.0013","18.997","0.003","10.9399","0.0012","90","","108.079","0.01","90","","1944.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-cyano-2,6-dichlorophenylimino)-1,3-diisobutyrylimidazolidine","","- C18 H20 Cl2 N4 O2 -","- C18 H20 Cl2 N4 O2 -","- C72 H80 Cl8 N16 O8 -","4","1","QB0091","E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo","Substituted clonidine derivatives. I. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzonitrile and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzonitrile","Acta Crystallographica Section C","1999","55","7","IUC9900066","","10.1107/S010827019909914X","","","0.71073","MoKα","","0.127","0.044","","","","0.077","","","","","","0.96","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008721","5.26","0.0007","5.26","0.0007","8.801","0.002","90","","90","","120","","210.88","0.06","293","2","293","2","","","","","","","","4","P 63 2 2","P 6c 2c","182","potassium iron silicate","potassium iron silicate","","- Fe0.97 K0.97 O4 Si1.03 -","- Fe0.97 K0.97 O3.99999 Si1.03 -","- Fe1.94 K1.94 O7.99998 Si2.06 -","2","0.166667","QB0099","Robert Hammond; Jacques Barbier","Hexagonal β-KFeSiO~4~","Acta Crystallographica Section C","1999","55","7","IUC9900075","","10.1107/S0108270199099242","","","0.56086","AgKα","","0.032","0.0189","","0.0563","0.0452","","","","0.982","1.114","1.114","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008722","18.749","0.003","18.749","0.003","8.684","0.002","90","","90","","120","","2643.7","0.9","293","2","293","2","","","","","","","","4","P 63","P 6c","173","potassium iron germanate","potassium iron germanium tetraoxide","","- Fe Ge K O4 -","- Fe Ge K O4 -","- Fe24 Ge24 K24 O96 -","24","4","QB0100","Robert Hammond; Jacques Barbier","Low-temperature KFeGeO~4~","Acta Crystallographica Section C","1999","55","7","IUC9900074","","10.1107/S0108270199099254","","","0.56086","AgKα","","0.055","0.041","","0.11","0.095","","","","0.939","1.023","1.023","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008723","17.862","0.001","17.862","0.001","17.862","0.001","90","","90","","90","","5698.9","0.6","295","","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","N,N',N''-Trimethyl-N,N',N''-tris(3-methylphenyl)-1,3,5- benzenetricarboxamide","","- C33 H33 N3 O3 -","- C33 H33 N3 O3 -","- C264 H264 N24 O24 -","8","0.333333","SK1189","Herbstein, Frank H.","<i>N</i>,<i>N</i>',<i>N</i>''-Trimethyl-<i>N</i>,<i>N</i>',<i>N</i>''-tris(3-methylphenyl)-1,3,5-benzenetricarboxamide is cubic (space group <i>Pa</i>øverline{3}) and not orthorhombic (space group <i>Pbca</i>). Erratum","Acta Crystallographica Section C","1999","55","7","1196","","10.1107/S0108270198013924","","","1.5405","CuKα","","","0.067","","","","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008724","15.556","0.0012","15.556","0.0012","15.556","0.0012","90","","90","","90","","3764.4","0.5","193","2","193","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","Ruthenium(II)-tris(bipyridine)-sodium(I)-tris(μ-oxalato)ruthenate(III)","","- C36 H24 N6 Na O12 Ru2 -","- C36 H24 N6 Na O12 Ru2 -","- C144 H96 N24 Na4 O48 Ru8 -","4","0.333333","SK1212","Pellaux, Rene; Decurtins, Silvio; Schmalle, Helmut W.","Three anionic polymeric networks: sodium(I)–ruthenium(III), sodium(I)–rhodium(III) and sodium(I)–aluminium(III) μ-oxalato complexes with tris(2,2'-bipyridine)ruthenium(II) cations","Acta Crystallographica Section C","1999","55","7","1075","1079","10.1107/S0108270199003339","","","0.71073","MoKα","","0.039","0.031","","","","0.063","","","","","","1.026","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008725","15.515","0.002","15.515","0.002","15.515","0.002","90","","90","","90","","3734.7","0.8","296","2","296","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Ruthenium(II)-tris(bipyridine)-sodium(I)-tris(μ-oxalato)rhodate(III)","","- C36 H24 N6 Na O12 Rh Ru -","- C36 H24 N6 Na O12 Rh Ru -","- C144 H96 N24 Na4 O48 Rh4 Ru4 -","4","0.333333","SK1212","Pellaux, Rene; Decurtins, Silvio; Schmalle, Helmut W.","Three anionic polymeric networks: sodium(I)–ruthenium(III), sodium(I)–rhodium(III) and sodium(I)–aluminium(III) μ-oxalato complexes with tris(2,2'-bipyridine)ruthenium(II) cations","Acta Crystallographica Section C","1999","55","7","1075","1079","10.1107/S0108270199003339","","","0.71073","MoKα","","0.034","0.023","","","","0.065","","","","","","1.126","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008726","15.407","0.004","15.407","0.004","15.407","0.004","90","","90","","90","","3657.2","1.6","296","2","296","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Ruthenium(II)-tris(bipyridine)-sodium(I)-tris(μ-oxalato)aluminate(III)","","- C36 H24 Al N6 Na O12 Ru -","- C36 H24 Al N6 Na O12 Ru -","- C144 H96 Al4 N24 Na4 O48 Ru4 -","4","0.333333","SK1212","Pellaux, Rene; Decurtins, Silvio; Schmalle, Helmut W.","Three anionic polymeric networks: sodium(I)‒ruthenium(III), sodium(I)‒rhodium(III) and sodium(I)‒aluminium(III) μ-oxalato complexes with tris(2,2'-bipyridine)ruthenium(II) cations","Acta Crystallographica Section C","1999","55","7","1075","1079","10.1107/S0108270199003339","","","0.71073","MoKα","","0.099","0.041","","","","0.107","","","","","","1.145","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008727","6.36","0.001","9.059","0.002","13.224","0.002","90","","90.4","0.02","90","","761.9","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Dipotassium tellurium trisulfide","","","- K2 S3 Te -","- K2 S3 Te -","- K8 S12 Te4 -","4","1","SK1244","Rumpf, Christian; Näther, Christian; Bensch, Wolfgang","K~2~TeS~3~","Acta Crystallographica Section C","1999","55","7","1046","1047","10.1107/S0108270198018265","","","0.71073","MoKα","","0.031","0.023","","0.061","0.057","","","","1.174","1.217","1.217","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008728","10.395","0.002","13.32","0.003","21.162","0.002","90","","100.414","0.009","90","","2881.9","0.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Diaquatetrachlorotetramethylditin] - [dichlorodimethyl(tris-2-pyridyl-1,3,5-triazine)tin] (1/2)","","- C22 H26 Cl4 N6 O Sn2 -","- C22 H26 Cl4 N6 O Sn2 -","- C88 H104 Cl16 N24 O4 Sn8 -","4","1","SK1251","Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng","Di-μ-chloro-bis(aquachlorodimethyltin)‒dichlorodimethyl[2,4,6-tris(2-pyridyl)-1,3,5-triazine]tin (1/2)","Acta Crystallographica Section C","1999","55","7","1058","1061","10.1107/S0108270199004928","","","0.71073","MoKα","","0.065","0.041","","","","0.088","","","","","","0.977","","","","has coordinates","198932","2020-10-21","18:00:00",""
"2008729","26.28","0.004","26.285","0.003","18.449","0.002","90","","102.696","0.01","90","","12432","3","136","2","136","2","","","","","","","","3","P 1 c 1","P -2yc","7","","2,5-Diisopropylidene-3,4-bis-(2-methoxycarbonyl-2-methylpropoxycarbonyl)-hex- 3-enedioic acid bis(2-methoxycarbonyl-2-methylpropyl)ester","","- C38 H56 O16 -","- C38 H56 O16 -","- C456 H672 O192 -","12","6","SK1272","Bats, Jan W.; Rivas Nass, Andreas; Hashmi, A. Stephen K.","Low-temperature phase of bis(2-methoxycarbonyl-2-methylpropyl) 2,5-diisopropylidene-3,4-bis(2-methoxycarbonyl-2-methylpropoxycarbonyl)hex-3-enedioate, a crystal structure with six independent pseudo-related molecules","Acta Crystallographica Section C","1999","55","7","1183","1186","10.1107/S0108270199003078","","","0.71073","MoKα","","0.2369","0.078","","","","0.157","","","","","","1.011","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008730","7.5028","0.0003","17.3288","0.0006","26.1306","0.0009","90","","90","","90","","3397.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9-Hydroxy-4-methyl-8-phenylthio-7,8,9,10-tetrahydrobenzo[h]coumarin","","- C20 H18 O3 S -","- C20 H18 O3 S -","- C160 H144 O24 S8 -","8","2","SK1273","Kandasamy Chinnakali; Kamaraj Sriraghavan; Hoong-Kun Fun; Vayalakkavoor T. Ramakrishnan","9-Hydroxy-4-methyl-8-phenylthio-7,8,9,10-tetrahydrobenzo[<i>h</i>]coumarin","Acta Crystallographica Section C","1999","55","7","1125","1127","10.1107/S0108270199002814","","","0.71073","MoKα","","0.111","0.065","","","","0.158","","","","","","1.132","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008731","13.4416","0.0004","6.4787","0.0002","21.7352","0.0006","90","","104.065","0.001","90","","1836.05","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(8RS-5SR-7SR)-7-Benzoyl-8-hydroxy-8-phenylspiro[4.5]decan-1-one","","- C23 H24 O3 -","- C23 H24 O3 -","- C92 H96 O12 -","4","1","SK1274","H. Surya Prakash Rao; K. Jayalakshmi; Kandasamy Chinnakali; Hoong-Kun Fun","(8<i>RS</i>,5<i>SR</i>,7<i>SR</i>)-7-Benzoyl-8-hydroxy-8-phenylspiro[4.5]decan-1-one","Acta Crystallographica Section C","1999","55","7","1117","1119","10.1107/S0108270199002826","","","0.71073","MoKα","","0.095","0.054","","","","0.142","","","","","","1.051","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008732","8.321","0.008","8.321","0.008","48.92","0.02","90","","90","","90","","3387","5","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","(R)-Spiro[(2R)-N-acetyl-2-phenyl-1,3-thiazolidine-5,3'-(3a'R,6a'S)- 5',6'-dimethyl-3a',6a'-dihydro-3H-furo[2,3-b]furan-2-one]","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C144 H152 N8 O32 S8 -","8","1","SK1275","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Barbosa, D. M.; Soares, M. I. L.; Pinho e Melo, T. M. V. D.; Rocha Gonsalves, A. M. d'A.","(<i>R</i>)-Spiro[(2<i>R</i>)-<i>N</i>-acetyl-2-phenyl-1,3-thiazolidine-4,3'-(3a'<i>R</i>,6a'<i>S</i>)-5',6a'-dimethyl-3a',-6a'-dihydro-3<i>H</i>-furo[2,3-<i>b</i>]furan-2-one]","Acta Crystallographica Section C","1999","55","7","1094","1096","10.1107/S010827019900308X","","","1.5418","CuKα","","0.0518","0.0444","","","","0.1212","","","","","","1.048","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008733","14.752","0.005","23.919","0.008","12.505","0.006","90","","90","","90","","4412","3","293","2","293","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","3α,4β-Diacetoxy-17a-oxa-17a-homo-5α-androstan-17-one","","- C23 H34 O6 -","- C23 H34 O6 -","- C184 H272 O48 -","8","1","SK1276","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","17-Oxo-17a-oxa-17a-homo-5α-androstan-3α,4β-diyl diacetate","Acta Crystallographica Section C","1999","55","7","1186","1188","10.1107/S0108270199002838","","","0.7093","MoKα","","0.1598","0.033","","","","0.09","","","","","","0.927","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008734","8.9148","0.0003","10.1052","0.0003","10.8606","0.0003","95.565","0.001","108.976","0.001","101.414","0.001","893.08","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Methyl-(2R,4aR,8aR)-2-(4-methylbenzyl)-3-oxoperhydro-2-naphthalenecarboxylate","","- C20 H26 O3 -","- C20 H26 O3 -","- C40 H52 O6 -","2","1","SK1279","S. Rajamathe; D. Sethumadhavan; H. Surya Prakash Rao; Kandasamy Chinnakali; Hoong-Kun Fun","Methyl (2<i>RS</i>,4a<i>RS</i>,8a<i>RS</i>)-2-(4-methylbenzyl)-3-oxoperhydronaphthalene-2-carboxylate","Acta Crystallographica Section C","1999","55","7","1127","1128","10.1107/S0108270199003108","","","0.71073","MoKα","","0.066","0.049","","","","0.147","","","","","","1.03","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008735","12.103","0.001","5.63","0.001","26.795","0.001","90","","93.655","0.006","90","","1822.1","0.4","296.2","","296.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-N-Benzyl-2,3-dihydro-2-(2-methoxybenzylidine)-4H-1,4-benzoxazine","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C92 H84 N4 O8 -","4","1","SK1280","Susim Maiti; Monika Mukherjee; Gopeswar Chaudhuri; Madeleine Helliwell; Nitya G. Kundu","(<i>Z</i>)-<i>N</i>-Benzyl-2,3-dihydro-2-(2-methoxybenzylidene)-4<i>H</i>-1,4-benzoxazine","Acta Crystallographica Section C","1999","55","7","1154","1156","10.1107/S0108270199003340","","","1.5418","CuKα","","0.06","0.046","","0.127","","0.12","","","1.015","","","1.079","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008736","18.0675","0.0009","7.7986","0.0004","9.2847","0.0004","90","","90","","90","","1308.23","0.11","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4,4a,4b,5,6,7,9,9a-Octahydro-1,4-methano-7-methyl-5-nitro-1H-fluoren-9-one","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","SK1281","Dipakranjan Mal; Nirmal Kumar Hazra; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun","4,4a,4b,5,6,7,9,9a-Octahydro-1,4-methano-7-methyl-5-nitro-1<i>H</i>-fluoren-9-one","Acta Crystallographica Section C","1999","55","7","1129","1130","10.1107/S0108270199003352","","","0.71073","MoKα","","0.044","0.037","","","","0.098","","","","","","1.05","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008737","12.8678","0.0005","11.4996","0.0004","10.0894","0.0003","90","","90","","90","","1492.97","0.09","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Copper(I) complex of 4-amino-5-oxo-3-thioxo-6-methyl-2,3,4,5-tetra-hydro- 1,2,4-triazine","","- C8 H12 Cl Cu N8 O2 S2 -","- C8 H12 Cl Cu N8 O2 S2 -","- C32 H48 Cl4 Cu4 N32 O8 S8 -","4","0.5","SK1282","Razak, Ibrahim Abdul; Chinnakali, Kandasamy; Fun, Hoong-Kun; Yang, Ping; Zeng, Wen-Ru; Xie, Fu-Xin; Tian, Yu-Peng; Zhang, Hao","A copper(I) complex of 4-amino-3-thioxo-6-methyl-2,3,4,5-tetrahydro-1,2,4-triazin-5-one","Acta Crystallographica Section C","1999","55","7","1092","1093","10.1107/S0108270199003893","","","0.71073","MoKα","","0.052","0.035","","","","0.08","","","","","","1.04","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008738","15.1789","0.0006","15.8689","0.0006","9.2735","0.0003","90","","102.396","0.001","90","","2181.66","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl(5SR,6SR)-1,3-dichloro-8-(diethylamino)-5,6-dihydro-5-hydroxy-6- phenyl-7-nitro-5-isoquinolinecarboxylate","","- C21 H21 Cl2 N3 O5 -","- C21 H21 Cl2 N3 O5 -","- C84 H84 Cl8 N12 O20 -","4","1","SK1283","Tarun Kumar Sarkar; Sunil Kumar Ghosh; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun","Methyl (5<i>SR</i>,6<i>SR</i>)-1,3-dichloro-8-diethylamino-5,6-dihydro-5-hydroxy-7-nitro-6-phenylisoquinoline-5-carboxylate","Acta Crystallographica Section C","1999","55","7","1138","1140","10.1107/S010827019900390X","","","0.71073","MoKα","","0.054","0.039","","","","0.108","","","","","","1.03","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008739","7.596","0.007","27.69","0.02","7.276","0.011","93.117","0.009","91.114","0.011","82.374","0.008","1514","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","tris(fluorene)-tetrakis(1,3,5-trinitrobenzene)","","- C31.5 H21 N6 O12 -","- C31.5 H21 N6 O12 -","- C63 H42 N12 O24 -","2","1","SX1080","Raúl A. Mariezcurrena; Silvia Russi; Alvaro W. Mombrú; Leopoldo Suescun; Helena Pardo; Osvaldo L. Tombesi; María A. Frontera","Mixed stacking and stoichiometry in a π-molecular complex between fluorene and 1,3,5-trinitrobenzene","Acta Crystallographica Section C","1999","55","7","1170","1173","10.1107/S0108270199003662","","","0.71069","MoKα","","0.0984","0.0505","","","","0.1838","","","","","","1.046","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008740","8.1017","0.0012","22.918","0.004","8.9358","0.0011","90","","94.453","0.008","90","","1654.1","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(3,4-dimethoxyphenyl)-5a,6,8,9-tetrahydro-1H,7H- pyrano[4,3-b][1]benzopyran-1-one","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","SX1082","Robinson, Paul D.; Beatty, Alicia; Hua, Duy H.; Chen, Yi; Meyers, Cal Y.; Perchellet, Elisabeth M.; Ladesich, James B.; Perchellet, Jean-Pierre","Racemic 3-(3,4-dimethoxyphenyl)-5a,6,8,9-tetrahydro-1<i>H</i>,7<i>H</i>-pyrano[4,3-<i>b</i>][1]benzopyran-1-one, an active antitumor agent","Acta Crystallographica Section C","1999","55","7","1188","1190","10.1107/S0108270199003315","","","0.71073","MoKα","","0.073","0.054","","","","0.15","","","","","","1.056","","","","has coordinates,has disorder","301791","2025-08-18","23:15:33",""
"2008741","26.413","0.004","9.4429","0.0008","14.2752","0.0012","90","","100.703","0.009","90","","3498.5","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Co Pd S4 -","- C38 H30 Co Pd S4 -","- C152 H120 Co4 Pd4 S16 -","4","0.5","TA1234","Sheu, Chou-Fu; Lee, Jung-Si","Charge-transfer salt of bis(<i>cis</i>-1,2-diphenylethene-1,2-dithiolato)palladate(1 ‒) with cobaltocenium, and neutral bis(<i>cis</i>-1,2-diphenylethene-1,2-dithiolato)palladium","Acta Crystallographica Section C","1999","55","7","1069","1072","10.1107/S0108270199004564","","","0.71073","MoKα","","0.058","0.039","","0.098","0.088","","","","1.072","1.105","1.105","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008742","5.9472","0.0006","11.2387","0.001","18.6239","0.0013","90","","91.659","0.007","90","","1244.28","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Pd S4 -","- C28 H20 Pd S4 -","- C56 H40 Pd2 S8 -","2","0.5","TA1234","Sheu, Chou-Fu; Lee, Jung-Si","Charge-transfer salt of bis(<i>cis</i>-1,2-diphenylethene-1,2-dithiolato)palladate(1 ‒) with cobaltocenium, and neutral bis(<i>cis</i>-1,2-diphenylethene-1,2-dithiolato)palladium","Acta Crystallographica Section C","1999","55","7","1069","1072","10.1107/S0108270199004564","","","0.71073","MoKα","","0.029","0.023","","0.064","0.06","","","","1.052","1.058","1.058","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008743","6.5333","0.0002","7.9424","0.0004","10.2197","0.0004","90","","100.966","0.002","90","","520.62","0.04","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Cobalt nitropentaammiacate hexafluorosilicon","","","- Co F6 H15 N6 O2 Si -","- Co F6 H15 N6 O2 Si -","- Co2 F12 H30 N12 O4 Si2 -","2","0.5","AV1028","Naumov, Dmitry Yu.; Kashcheeva, Natalia E.; Boldyreva, Elena V.; Howard, Judith A. K.","Pentaamminenitrocobalt(III) hexafluorosilicate(IV) at 293 and 150K","Acta Crystallographica Section C","1999","55","8","1205","1208","10.1107/S0108270199005764","","","0.71073","MoKα","","0.054","0.044","","","","0.077","","","","","","1.144","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008744","6.5034","0.0002","7.9206","0.0003","10.1816","0.0004","90","","100.911","0.002","90","","514.98","0.03","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Cobalt nitropentaammiacate hexafluorosilicon","","","- Co F6 H15 N6 O2 Si -","- Co F6 H15 N6 O2 Si -","- Co2 F12 H30 N12 O4 Si2 -","2","0.5","AV1028","Naumov, Dmitry Yu.; Kashcheeva, Natalia E.; Boldyreva, Elena V.; Howard, Judith A. K.","Pentaamminenitrocobalt(III) hexafluorosilicate(IV) at 293 and 150K","Acta Crystallographica Section C","1999","55","8","1205","1208","10.1107/S0108270199005764","","","0.71073","MoKα","","0.035","0.031","","","","0.063","","","","","","1.135","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008745","11.3231","0.0007","11.3446","0.0007","13.9047","0.0009","90","","98.676","0.001","90","","1765.7","0.19","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl2 Co N4 -","- C16 H16 Cl2 Co N4 -","- C64 H64 Cl8 Co4 N16 -","4","1","BK1432","Yongkui Shan; Mayra E. Cádiz; Pedro L. Sánchez; Songping D. Huang","Dichlorobis(1-methyl-1<i>H</i>-benzimidazole-<i>N</i>^3^)cobalt(II)","Acta Crystallographica Section C","1999","55","8","1262","1263","10.1107/S0108270199004904","","","0.7107","MoKα","","0.047","0.043","","0.076","","0.07","","","1.19","","","1.33","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008746","12.7274","0.0003","5.5573","0.0002","15.161","0.0003","90","","102.935","0.0012","90","","1045.13","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Neotame","[N-[N-(3,3-dimethylbutyl)-L-a-aspartyl]-L-phenylalanine 1-methyl ester]","","- C20 H32 N2 O6 -","- C20 H32 N2 O6 -","- C40 H64 N4 O12 -","2","1","BK1453","Wink, Donald J.; Schroeder, Stephen A.; Prakash, Indra; Lam, Kin-Chung; Rheingold, A. L.","Neotame, an alkylated dipeptide and high intensity sweetener","Acta Crystallographica Section C","1999","55","8","1365","1368","10.1107/S0108270199005284","","","0.71073","MoKα","","0.062","0.058","","","","0.182","","","","","","1.411","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008747","10.33","0.001","10.33","0.001","20.222","0.004","90","","90","","90","","2157.9","0.5","203","","203","","","","","","","","","5","I 41/a :2","-I 4ad","88","","tetrachlorotetra(2-propanol)uranium(IV)","","- C12 H32 Cl4 O4 U -","- C12 H32 Cl4 O4 U -","- C48 H128 Cl16 O16 U4 -","4","0.25","BK1458","Gordon, Pamela L.; Thompson, Julia A.; Watkin, John G.; Burns, Carol J.; Sauer, Nancy N.; Scott, Brian L.","Tetrachlorotetrakis(propan-2-ol)uranium(IV) and tetrachlorotetrakis(propan-2-ol)thorium(IV)","Acta Crystallographica Section C","1999","55","8","1275","1278","10.1107/S0108270199004898","","","0.71073","MoKα","","0.027","0.021","","","","0.051","","","","","","1.07","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008748","10.447","0.001","10.447","0.001","20.395","0.001","90","","90","","90","","2225.9","0.3","203","","203","","","","","","","","","5","I 41/a :2","-I 4ad","88","","tetrachlorotetra(2-proponol)thorium(IV)","","- C12 H32 Cl4 O4 Th -","- C12 H32 Cl4 O4 Th -","- C48 H128 Cl16 O16 Th4 -","4","0.25","BK1458","Gordon, Pamela L.; Thompson, Julia A.; Watkin, John G.; Burns, Carol J.; Sauer, Nancy N.; Scott, Brian L.","Tetrachlorotetrakis(propan-2-ol)uranium(IV) and tetrachlorotetrakis(propan-2-ol)thorium(IV)","Acta Crystallographica Section C","1999","55","8","1275","1278","10.1107/S0108270199004898","","","0.71073","MoKα","","0.03","0.021","","","","0.045","","","","","","1.18","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008749","10.036","0.002","18.669","0.004","6.717","0.0013","90","","98.62","0.03","90","","1244.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-(2,2' bipyridine-N,N')(μ ~3~ -sulfito O:O:O) cadmium(II), dihydrate.","","- C10 H12 Cd N2 O5 S -","- C10 H12 Cd N2 O5 S -","- C40 H48 Cd4 N8 O20 S4 -","4","1","BK1460","Miguel Harvey; Sergio Baggio; Ricardo Baggio; Helena Pardo","Poly[[[aqua(2,2'-bipyridine-<i>N</i>,<i>N</i>')cadmium(II)]-μ~3~-sulfito-<i>O</i>:<i>O</i>:<i>O</i>'] hydrate]","Acta Crystallographica Section C","1999","55","8","1278","1280","10.1107/S0108270199005296","","","0.71073","MoKα","","0.036","0.026","","","","0.075","","","","","","0.986","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008750","8.647","0.001","8.701","0.002","11.683","0.002","84.68","0.01","70.24","0.02","74.96","0.01","798.9","0.3","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H44 N6 O10 U -","- C22 H44 N6 O10 U -","- C22 H44 N6 O10 U -","1","0.5","BK1467","Zhengbai Cao; Tieliu Qi; Limin Zhu; De-Chun Zhang; Ronhua Zhou; Kai-Bei Yu","Bis(1,3-dibutylimidazolidin-2-one-<i>O</i>)bis(nitrato-<i>O</i>,<i>O</i>')dioxouranium(VI)","Acta Crystallographica Section C","1999","55","8","1270","1272","10.1107/S0108270199004916","","","0.71073","MoKα","","0.028","0.027","","0.066","","0.061","","","0.995","","","1.003","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008751","7.066","0.003","14.723","0.008","18.219","0.006","90","","90","","90","","1895.4","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N'-diphenylguanidinium (+)-L-hydrogentartrate monohydrate","","- C17 H21 N3 O7 -","- C17 H21 N3 O7 -","- C68 H84 N12 O28 -","4","1","BM1310","Paixão, J. A.; Pereira Silva, P. S.; Matos Beja, A.; Ramos Silva, M.; de Matos Gomes, E.; Belsley, M.","<i>N</i>,<i>N</i>'-Diphenylguanidinium hydrogen (+)-<small>L</small>-tartrate monohydrate","Acta Crystallographica Section C","1999","55","8","1287","1290","10.1107/S0108270199005119","","","0.71073","MoKα","","0.044","0.032","","","","0.084","","","","","","1.057","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008752","8.904","0.002","14.657","0.003","17.19","0.003","90","","92.266","0.005","90","","2241.6","0.8","40","2","30","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","μ-azido-[μ-4-(3-methyl-2-pyridylamino)-1-(3-methyl-2-pyridylimino)- 1,2-dihydrophthalazin-2-yl]bis[azidocopper(II)]","","- C20 H17 Cu2 N15 -","- C20 H17 Cu2 N15 -","- C80 H68 Cu8 N60 -","4","1","BM1313","Goeta, Andres E.; Thompson, Laurence K.; Sheppard, Christopher L.; Tandon, Santokh S.; Lehmann, Christian W.; Cosier, John; Webster, Craig; Howard, Judith A.K.","[Cu~2~{1,4-bis[(3-methyl-2-pyridyl)amino]phthalazine –H}(N~3~)~3~] at 40K","Acta Crystallographica Section C","1999","55","8","1243","1246","10.1107/S0108270199005648","","","0.71073","MoKα","","0.04","0.028","","0.069","0.063","","","","1.056","1.063","1.063","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008753","8.2739","0.0012","20.681","0.004","8.5913","0.0011","90","","104.937","0.012","90","","1420.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","N-(4-cyanophenyl)-carbazole","N-(4-cyanophenyl)-carbazole","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","BM1320","Satyen Saha; Anunay Samanta","The twisted structure of 9-(4-cyanophenyl)carbazole","Acta Crystallographica Section C","1999","55","8","1299","1300","10.1107/S0108270199005752","","","0.71073","MoKα","","0.077","0.043","","","","0.115","","","","","","1.046","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008754","10.39","0.002","14.394","0.003","7.884","0.002","90","","90","","90","","1179.1","0.4","143","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","4-Iodopyridine","","- C5 H4 I N -","- C5 H4 I N -","- C40 H32 I8 N8 -","8","0.5","BM1321","Ahrens, Birte; Jones, Peter G.","4-Iodopyridine, a structure with very short nitrogen–iodine contacts","Acta Crystallographica Section C","1999","55","8","1308","1310","10.1107/S0108270199005521","","","0.71073","MoKα","","0.0181","0.0154","","","","0.0343","","","","","","1.127","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008755","7.765","0.001","9.692","0.002","18.855","0.003","90","","90","","90","","1419","0.4","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(6R,12R,14R)-(E,E)-12-Hydroxy-6,14-dimethyl-1,7-dioxa-3,9-cyclotetradecadiene- 2,8,11-trione","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","BM1328","Höller, Ulrich; Wright, Anthony D.; König, Gabriele M.; Jones, Peter G.","Colletoketol","Acta Crystallographica Section C","1999","55","8","1310","1313","10.1107/S0108270199005533","","","0.71073","MoKα","","0.0543","0.041","","","","0.103","","","","","","1.067","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008756","9.165","0.003","36.319","0.003","8.353","0.004","90","","90","","90","","2780.4","1.6","213","1","213","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,3,4,5,6,7-hexahydro-9,10-dimethoxy-1,2-benzothiazonin-3-one 1,1-dioxide","","- C13 H17 N O5 S -","- C13 H17 N O5 S -","- C104 H136 N8 O40 S8 -","8","1","BM1336","Linden, Anthony; Todorova, Tonya R.; Heimgartner, Heinz","2,3,4,5,6,7-Hexahydro-9,10-dimethoxy-1,2-benzothiazonin-3-one 1,1-dioxide","Acta Crystallographica Section C","1999","55","8","1375","1377","10.1107/S0108270199007489","","","0.71069","MoKα","","0.071","0.042","","","","0.115","","","","","","1.04","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008757","5.6804","0.0015","11.117","0.002","8.7621","0.0008","90","","94.27","0.013","90","","551.78","0.18","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","3,4,5,6,7,8-hexahydro-10,10-dimethyl-1,2,8-thiadiazecin-9(10H)-one 1,1-dioxide","","- C9 H18 N2 O3 S -","- C9 H18 N2 O3 S -","- C18 H36 N4 O6 S2 -","2","1","BM1340","Linden, Anthony; Todorova, Tonya R.; Heimgartner, Heinz","10,10-Dimethyl-1,2,8-thiadiazecan-9-one 1,1-dioxide","Acta Crystallographica Section C","1999","55","8","1378","1380","10.1107/S0108270199007611","","","0.71069","MoKα","","0.028","0.027","","","","0.072","","","","","","1.062","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008758","18.2534","0.0009","6.3271","0.0003","14.7428","0.0007","90","","90","","90","","1702.66","0.14","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- O20 P5 Ti3 Tl3 -","- O20 P5 Ti3 Tl3 -","- O80 P20 Ti12 Tl12 -","4","1","BR1228","Harrison, William T. A.","Thallium titanium phosphate, Tl~3~Ti~3~O(PO~4~)~3~(P~2~O~7~)","Acta Crystallographica Section C","1999","55","8","1200","1203","10.1107/S0108270199006721","","","0.71073","MoKα","","0.036","0.033","","","","0.087","","","","","","1.044","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008759","10.2499","0.0009","10.2499","0.0009","6.0322","0.0008","90","","90","","120","","548.84","0.1","153","2","153","2","","","","","","","","4","P 63","P 6c","173","","dysprosium copper germanium selenide","","- Cu Dy3 Ge Se7 -","- Cu Dy3 Ge Se7 -","- Cu2 Dy6 Ge2 Se14 -","2","0.333333","BR1239","Huang, Fu Qiang; Ibers, James A.","Dy~3~CuGeSe~7~","Acta Crystallographica Section C","1999","55","8","1210","1212","10.1107/S0108270199004606","","","0.71073","MoKα","","0.025","0.021","","","","0.053","","","","","","1.037","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008760","9.205","0.003","4.4822","0.001","17.8738","0.0013","90","","90","","90","","737.4","0.3","293","2","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ag Cl3 Rb2 -","- Ag Cl3 Rb2 -","- Ag4 Cl12 Rb8 -","4","0.5","BR1243","Hasselgren, Catrin; Jagner, Susan","Dirubidium <i>catena</i>-poly[dichloroargentate(I)-μ-chloro]","Acta Crystallographica Section C","1999","55","8","1208","1210","10.1107/S0108270199006277","","","0.71073","MoKα","","","0.035","","","","0.094","","","","","","1.046","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008761","4.7034","0.001","7.1735","0.0013","15.643","0.002","90","","90","","90","","527.79","0.16","293","2","293","2","","","","","","","","3","I m m m","-I 2 2","71","","trilithium tetrabarium tetraarsenide","","- As4 Ba3 Li4 -","- As4 Ba3 Li4 -","- As8 Ba6 Li8 -","2","0.125","BR1246","Monconduit, Laure; Belin, Claude","Lithium barium arsenide, Li~4~Ba~3~As~4~, containing isolated As^3-^ and As~2~^4-^ anions","Acta Crystallographica Section C","1999","55","8","1199","1200","10.1107/S0108270199006927","","","0.71069","MoKα","","0.042","0.038","","","","0.107","","","","","","1.217","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008762","25.119","0.003","11.104","0.004","7.57","0.003","90","","103.53","0.02","90","","2052.8","1.1","150","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-phenyl-1,2,3,5-dithiadiazolylium chloride","4-phenyl-1,2,3,5-dithiadiazolylium chloride","","- C7.5 H6 Cl2 N2 S2 -","- C7.5 H6 Cl2 N2 S2 -","- C60 H48 Cl16 N16 S16 -","8","1","CF1280","Smith, J. Nicholas B.; Rawson, Jeremy M.; Davies, John E.","A dithiadiazolylium chloride salt from the reaction of 4-phenyl-1,2,3,5-dithiadiazolyl with gold(I) chloride","Acta Crystallographica Section C","1999","55","8","1330","1332","10.1107/S0108270198018022","","","0.71073","MoKα","","0.068","0.044","","0.115","0.102","","","","1.082","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008763","8.783","0.001","13.629","0.002","15.411","0.002","90","","94.71","0.01","90","","1838.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaqua(1,10-Phenanthroline)Nickel(II) Dinitrate Monohydrate","","- C12 H18 N4 Ni O11 -","- C12 H18 N4 Ni O11 -","- C48 H72 N16 Ni4 O44 -","4","1","CF1300","Namouchi Cherni, Saoussen; Driss, Ahmed; Jouini, Tahar","Tetraaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>)nickel(II) dinitrate monohydrate","Acta Crystallographica Section C","1999","55","8","1248","1250","10.1107/S0108270199004874","","","0.71069","MoKα","","0.0499","0.0352","","0.0877","0.08","","","","1.053","1.091","1.091","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008764","11.957","0.003","12.966","0.003","13.041","0.003","114.31","0.02","109.41","0.02","94.62","0.02","1681.3","0.8","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","3,7:7,8:7,11-tri(μ-thiobenzoate-S:O)-10-(triphenylphosphine-P)-8,9- μH-7-nickela-nido-undecaborane","","- C24 H31 B10 Ni O3 P S3 -","- C24 H31 B10 Ni O3 P S3 -","- C48 H62 B20 Ni2 O6 P2 S6 -","2","1","CF1304","Dou, Jian-Min; Hu,Chun-Hua; Yao, Hai-Jun; Jin, Ruo-Shui; Zheng, Pei-Ju","A three-ring <i>exo</i>-polyhedral-cyclized nickelaundecaborane cluster: [(CH~3~COS)~3~NiB~10~H~7~(PPh~3~)]","Acta Crystallographica Section C","1999","55","8","1226","1228","10.1107/S0108270199004667","","","0.71073","MoKα","","0.088","0.045","","","","0.149","","","","","","1.047","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008765","12.235","0.004","13.719","0.007","16.974","0.007","90","","92.45","0.05","90","","2847","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-butyl-5-methyl-6-(1-oxopyridin-2-yl)-1-{[2'-(1H-tetrazol-5-yl)biphenyl- 4-yl]methyl}-1H-imidazo[5,4-b]pyridine methanol solvate","","- C31 H32 N8 O2 -","- C31 H32 N8 O2 -","- C124 H128 N32 O8 -","4","1","CF1305","Heo, Yong-Seok; Yi, Kyu Yang; Yoo, Sung Eun; Shin, Whanchul","A non-peptide angiotensin II receptor antagonist: 2-butyl-6-methyl-5-(1-oxopyrid-2-yl)-1-{[2'-(1<i>H</i>-tetrazol-5-yl)biphenyl-4-yl]methyl}-1<i>H</i>-imidazo[5,4-<i>b</i>]pyridine methanol solvate","Acta Crystallographica Section C","1999","55","8","1345","1347","10.1107/S0108270199004679","","","0.71073","MoKα","","0.1475","0.0691","","","","0.1937","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","301791","2025-08-18","23:15:33",""
"2008766","10.764","0.003","10.764","0.003","37.939","0.007","90","","90","","90","","4395.8","1.9","298.2","","298.2","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","binaphthalene","","","- C26 H22 O6 -","- C26 H20.5 O6 -","- C208 H164 O48 -","8","1","CF1308","Tachi, Yoshimitsu; Nakayama, Shinya; Tani, Fumito; Ueno, Go; Naruta, Yoshinori","(<i>S</i>)-2,2'-Bis(methoxymethoxy)[1,1'-binaphthyl]-3,3'-dicarbaldehyde","Acta Crystallographica Section C","1999","55","8","1351","1353","10.1107/S0108270199004680","","","1.5418","CuKα","","0.0676","0.0413","","","","0.1287","","","","","","1.424","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008767","14.623","0.007","9.729","0.005","19.228","0.01","90","","90","","90","","2736","2","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Sodium nitrilotriacetatomagnesium pentahydrate","Sodium nitriloacetatomagnesate(1-) pentahydrate","","- C6 H16 Mg N Na O11 -","- C6 H16 Mg N Na O11 -","- C48 H128 Mg8 N8 Na8 O88 -","8","1","CF1309","Kaneyoshi, Masami; Bond, Andrew; Jones, William","Sodium (nitrilotriacetato)magnesate pentahydrate","Acta Crystallographica Section C","1999","55","8","1260","1262","10.1107/S0108270199004886","","","1.54178","CuKα","","0.039","0.03","","","","0.077","","","","","","1.062","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008768","8.3743","0.0004","9.6681","0.0007","10.7682","0.0009","100.195","0.006","104.465","0.005","105.408","0.005","785.71","0.1","293","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Cl3 O2 Te -","- C12 H15 Cl3 O2 Te -","- C24 H30 Cl6 O4 Te2 -","2","1","DA1059","Zukerman-Schpector, J.; Camillo, Robinson L.; Comasseto, João V.; Cunha, Rodrigo L. O. R.; Chieffi, André; Zeni, Gilson; Caracelli, I.","Dichloro[(<i>E</i>)-2-chloro-1-(2-hydroxyprop-2-yl)vinyl](4-methoxyphenyl)tellurium(IV)","Acta Crystallographica Section C","1999","55","8","1339","1342","10.1107/S0108270199004813","","","0.71073","MoKα","","0.031","0.027","","","","0.073","","","","","","1.121","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008769","9.0494","0.0012","17.475","0.002","10.5357","0.001","90","","106.359","0.008","90","","1598.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","[bis(cyclohexylamine)cadmium(II) bis{tricyanocadmate(II)}]-toluene (1/1)","","- C25 H34 Cd3 N8 -","- C25 H34 Cd3 N8 -","- C50 H68 Cd6 N16 -","2","0.5","DA1061","Kim, Chong-Hyeak; Lee, Sueg-Geun; Suh, Il-Hwan","A three-dimensional host framework with small tetragonal and large hexagonal channels","Acta Crystallographica Section C","1999","55","8","1238","1241","10.1107/S0108270199004825","","","0.71073","MoKα","","0.055","0.039","","0.105","0.097","","","","1.042","1.093","1.093","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008770","10.598","0.002","10.88","0.003","18.824","0.001","75.17","0.01","80.87","0.01","73.72","0.02","2005.2","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H30 Fe O5 P2 Pt2 Se -","- C41 H30 Fe O5 P2 Pt2 Se -","- C82 H60 Fe2 O10 P4 Pt4 Se2 -","2","1","DA1064","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Dash, Aswini K.; Mathur, Pradeep","A selenium-bridged mixed-metal cluster, (CO)~5~(PPh~3~)~2~FePt~2~(μ~3~-Se)","Acta Crystallographica Section C","1999","55","8","1250","1253","10.1107/S0108270199004837","","","0.71073","MoKα","","0.087","0.045","","","","0.11","","","","","","0.92","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008771","8.0204","0.0005","9.0398","0.001","22.5974","0.0015","90","","96.362","0.006","90","","1628.3","0.2","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dimer of 2-methylene-3,4-dihydo-1(2H)-naphthalenone","3,4-dihydronaphthyl[2,3-b]tetrahydropyran- 2-spiro-2'-3,4-dihydro-1(2H)-naphthalenone","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","1","DA1069","Quail, J. Wilson; Pandeya, Surendra N.; Dimmock, Jonathan R.","3,4,5,6-Tetrahydro-2<i>H</i>-naphtho[1,2-<i>b</i>]pyran-2-spiro-2'-1',2',3',4'-tetrahydronaphthalene-1'-one","Acta Crystallographica Section C","1999","55","8","1349","1351","10.1107/S0108270199005417","","","0.71073","MoKα","","0.047","0.038","","","","0.199","","","","","","1.047","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008772","8.441","0.004","21.879","0.007","15.561","0.004","90","","95.72","0.03","90","","2859.5","1.8","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1,2:1,3-di(μ-thioacetato-S:O)-1-(triphenylphosphine-P)-1-ruthena- closo-undecaborane","","- C22 H29 B10 O2 P Ru S2 -","- C22 H29 B10 O2 P Ru S2 -","- C88 H116 B40 O8 P4 Ru4 S8 -","4","1","FG1533","Nie, Yong; Hu, Chun-Hua; Sun, Jie; Jin, Ruo-Shui; Zheng, Pei-Ju","An <i>exo</i>-polyhedral bicyclic 11-vertex <i>closo</i>-ruthenaborane: [(PPh~3~)(CH~3~COS)~2~RuB~10~H~8~]","Acta Crystallographica Section C","1999","55","8","1224","1226","10.1107/S010827019900462X","","","0.71069","MoKα","","","0.047","","","","0.167","","","","","","1.138","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008773","12.248","0.002","14.377","0.001","19.15","0.002","90","","103.547","0.011","90","","3278.3","0.7","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Hydroxotriphenyltin 2,6-di(2-benzimidazolyl)pyridine hydrate (1:1:1)","","- C37 H31 N5 O2 Sn -","- C37 H31 N5 O2 Sn -","- C148 H124 N20 O8 Sn4 -","4","1","FG1540","Lo, Kong Mun; Kumar Das, V.G.; Ng, Seik Weng","Hydroxotriphenyltin 2,6-bis(1<i>H</i>-benzimidazol-2-yl)pyridine hydrate","Acta Crystallographica Section C","1999","55","8","1234","1236","10.1107/S0108270199004072","","","0.71073","MoKα","","0.088","0.052","","","","0.127","","","","","","0.959","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008774","20.0869","0.0002","13.7875","0.0005","9.4187","0.0006","90","","102.672","0.002","90","","2544.95","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Butyl-5-hydroxy-4-iodo-hexahydro-pyrolo[1,2-c][1,3] oxazin-1-one","","- C11 H18 I N O3 -","- C11 H18 I N O3 -","- C88 H144 I8 N8 O24 -","8","2","FG1542","Batey, Robert A.; MacKay, D. Bruce; Lough, Alan J.","3-Butyl-5-hydroxy-4-iodohexahydropyrrolo[1,2-<i>c</i>][1,3]oxazin-1-one","Acta Crystallographica Section C","1999","55","8","1362","1363","10.1107/S0108270199004497","","","0.71073","MoKα","","0.0336","0.0249","","","","0.0624","","","","","","1.03","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008775","11.966","0.003","8.602","0.001","23.688","0.003","90","","101.09","0.01","90","","2392.7","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(±)-2-Aza-3,9-dioxotricyclo[4.4.4.0^1,6^]tetradecane","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C104 H152 N8 O16 -","8","1","FG1543","Zwege, Daniel; Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A.","(+/-)-2-Aza-3,9-dioxotricyclo[4.4.4.0^1,6^]tetradecane: dimeric and catemeric hydrogen bonding in two polymorphs of a propellanoid keto lactam","Acta Crystallographica Section C","1999","55","8","1370","1373","10.1107/S0108270199004485","","","0.71073","MoKα","","0.149","0.065","","","","0.162","","","","","","1.01","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008776","11.135","0.002","7.626","0.002","13.58","0.002","90","","90.62","0.01","90","","1153.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-2-Aza-3,9-dioxotricyclo[4.4.4.0^1,6^]tetradecane","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C52 H76 N4 O8 -","4","1","FG1543","Zwege, Daniel; Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A.","(+/-)-2-Aza-3,9-dioxotricyclo[4.4.4.0^1,6^]tetradecane: dimeric and catemeric hydrogen bonding in two polymorphs of a propellanoid keto lactam","Acta Crystallographica Section C","1999","55","8","1370","1373","10.1107/S0108270199004485","","","0.71073","MoKα","","0.1","0.06","","","","0.151","","","","","","1.03","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008777","12.6008","0.0011","11.349","0.003","15.634","0.002","90","","94.888","0.009","90","","2227.6","0.7","293","1","293","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Aquotrimethyltin(4-(4-chlorophenyl)-2-phenyl-5-thiazoleacetate)","Aqua[4-(4-chlorophenyl)-2-phenylthiazole-5-acetate-O]trimethyltin(IV)","","- C20 H22 Cl N O3 S Sn -","- C20 H22 Cl N O3 S Sn -","- C80 H88 Cl4 N4 O12 S4 Sn4 -","4","1","FG1550","Parvez, Masood; Ali, Saqib; Mazhar, Muhammad; Bhatti, M. Hussain; Khokhar, M. Nawaz","Aqua[4-(4-chlorophenyl)-2-phenylthiazole-5-acetato-<i>O</i>]trimethyltin(IV)","Acta Crystallographica Section C","1999","55","8","1280","1282","10.1107/S0108270199005120","","","1.54178","CuKα","","0.055","0.043","","","","0.114","","","","","","1.025","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008778","7.581","0.001","8.663","0.001","11.475","0.001","90","","106.44","0.01","90","","722.8","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","DM08","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","FR1146","Branco, Marcelo Cardoso; Gambardella, Maria Teresa do P.; Vasconcellos, Mario L. A. A.; Barreiros, Uendel G.","(1<i>R</i>,2<i>R</i>,3<i>R</i>,3'<i>R</i>,4<i>R</i>)-3-[(2-Furyl)hydroxymethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol, a new camphor-based chiral auxiliary","Acta Crystallographica Section C","1999","55","8","1295","1297","10.1107/S0108270199000645","","","0.71073","MoKα","","0.11","0.052","","0.122","0.11","","","","0.905","1.184","1.184","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008779","10.1962","0.0002","10.1962","0.0002","21.0571","0.0007","90","","90","","90","","2189.15","0.09","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","Dichloro-(tetrahydrogen-ethylenediamine-tetraacetate)-palladium(II) hexahydrate","","- C10 H28 Cl2 N2 O14 Pd -","- C10 H28 Cl2 N2 O14 Pd -","- C40 H112 Cl8 N8 O56 Pd4 -","4","0.5","FR1173","Xue-mei Luo; Xiao-hua Chen; Shanmuga Sundara Raj, S.; Hoong-Kun Fun; Long-gen Zhu","Dichloro(ethylenediaminetetraacetic acid)palladium(II) hexahydrate","Acta Crystallographica Section C","1999","55","8","1220","1222","10.1107/S0108270199005958","","","0.71073","MoKα","","0.039","0.032","","","","0.081","","","","","","1.085","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008780","9.6507","0.0002","14.277","0.0003","15.0369","0.0004","75.17","0.001","82.067","0.001","83.358","0.001","1976.65","0.08","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","Bis [bis(triphenylphosphoranylidene)ammonium] μ-tetrathiaoxalato-bis[(1,3-dithiol-2-thione-4,5-dithiolato)nickelate(II)]","","- C80 H60 N2 Ni2 P4 S14 -","- C80 H60 N2 Ni2 P4 S14 -","- C80 H60 N2 Ni2 P4 S14 -","1","0.5","FR1185","Geiser, Urs; Mercuri, Maria Laura; Parakka, James P.","Bis[bis(triphenylphosphoranylidene)ammonium] μ-tetrathiaoxalato-bis[(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(II)]","Acta Crystallographica Section C","1999","55","8","1253","1255","10.1107/S0108270199004692","","","0.71073","MoKα","","0.095","0.059","","","","0.122","","","","","","1.105","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008781","9.919","0.007","19.331","0.007","11.08","0.008","90","","96.53","0.06","90","","2111","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2S*,4S*,5R*,5'S*)-4-methyl-2-(3'-methyl-2'- isoxazolin-5'-yl)-5-phenyl-3-(toluene-4""- sulfonyl)oxazolidin","","- C21 H24 N2 O4 S -","- C21 H24 N2 O4 S -","- C84 H96 N8 O16 S4 -","4","1","FR1188","Rochon, Fernande D.; Breau, Livain","(2<i>S</i>*,4<i>S</i>*,5<i>R</i>*)-4-Methyl-2-[(5<i>S</i>*)-3-methyl-4,5-dihydroisoxazol-5-yl]-5-phenyl-3-(toluene-4-sulfonyl)oxazolidine","Acta Crystallographica Section C","1999","55","8","1373","1375","10.1107/S0108270199005557","","","0.71073","MoKα","","0.191","0.066","","0.098","0.074","","","","1.037","1.265","1.265","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008782","6.955","0.0008","14.4941","0.0011","12.2793","0.0008","90","","101.523","0.007","90","","1212.88","0.19","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-N-(6-Bromocyclohex-2-enyl)pyridinium bromide","","- C11 H13 Br2 N -","- C11 H13 Br2 N -","- C44 H52 Br8 N4 -","4","1","FR1193","Han, Xinghua; Baker, Ronald J.; Masnovi, John","<i>trans</i>-(6-Bromo-2-cyclohexen-1-yl)pyridinium bromide","Acta Crystallographica Section C","1999","55","8","1360","1361","10.1107/S0108270199004709","","","0.7093","MolybdenumKα","","0.045","0.045","","0.041","","0.041","","","","","","1.78","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008783","7.1732","0.0017","21.285","0.006","12.28","0.003","90","","92.05","0.02","90","","1873.7","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[Aquo(1,10-phenanthroline)(L-prolinato)copper(II)] nitrate hydrate","","- C34 H40 Cu2 N8 O14 -","- C34 H40 Cu2 N8 O14 -","- C68 H80 Cu4 N16 O28 -","2","1","FR1195","Venkatraman, Ramaiyer; Zubkowski, Jeffrey D.; Valente, Edward J.","Aqua(1,10-phenanthroline)(<small>L</small>-prolinato)copper(II) nitrate monohydrate","Acta Crystallographica Section C","1999","55","8","1241","1243","10.1107/S0108270199005570","","","0.71073","MoKα","","0.075","0.042","","","","0.101","","","","","","0.744","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2008784","5.6134","0.0001","9.9847","0.0003","21.5896","0.0002","90","","93.639","0.001","90","","1207.62","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","α-cyano-β-hydroxy-β-methyl-N-(2,5-dibromophenyl)propenamide","","- C11 H8 Br2 N2 O2 -","- C11 H8 Br2 N2 O2 -","- C44 H32 Br8 N8 O8 -","4","1","FR1196","Ghosh, Sutapa","α-Cyano-<i>N</i>-(2,5-dibromophenyl)-β-hydroxybut-2-enamide","Acta Crystallographica Section C","1999","55","8","1364","1365","10.1107/S0108270199005727","","","0.71073","MoKα","","0.0532","0.0402","","","","0.0996","","","","","","1.007","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008785","11.511","0.004","22.022","0.003","12.521","0.002","90","","107.71","0.02","90","","3023.6","1.3","294","","294.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 Cl6 N10 Ni2 O16 -","- C48 H68 Cl6 N10 Ni2 O16 -","- C96 H136 Cl12 N20 Ni4 O32 -","2","0.5","FR1198","Bing Tong; Richard E. Norman; Shih-Chi Chang","Di-μ-chloro-bis{[tris(2-pyridylmethyl)amine-κ^4^<i>N</i>]nickel(II)} bis(triethylammonium) tetraperchlorate","Acta Crystallographica Section C","1999","55","8","1236","1238","10.1107/S010827019900596X","","","0.7107","MoKα","","0.097","0.045","","0.06","","0.054","","","1.672","","","1.96","","","","has coordinates","196234","2020-10-21","18:00:00",""
"2008786","6.905","0.003","11.05","0.006","16.835","0.002","90","","90","","90","","1284.5","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","iodo(di-n-propyldithiocarbamato)selenium(II)","catena-μ-iodo-(di-n-propyldithiocarbamato)selenium(II)","","- C7 H14 I N S2 Se -","- C7 H14 I N S2 Se -","- C28 H56 I4 N4 S8 Se4 -","4","1","GD1008","S. Rajashree; G. Aravamudan; Kandasamy Sivakumar","The first mixed iodide–dithiocarbamate complex of selenium(II): <i>catena</i>-poly[[(di-<i>n</i>-propyldithiocarbamato-<i>S</i>,<i>S</i>')selenium(II)]-μ-iodo]","Acta Crystallographica Section C","1999","55","8","1320","1322","10.1107/S0108270199003996","","","0.71069","MoKα","","0.051","0.035","","","","0.094","","","","","","1.092","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008787","12.758","0.003","6.964","0.001","16.053","0.003","90","","90","","90","","1426.3","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C48 H56 N24 O24 -","8","1","GD1027","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.","4-(<i>N</i>-Methylnitramino)pyridine 1-oxide","Acta Crystallographica Section C","1999","55","8","1292","1295","10.1107/S0108270199004552","","","0.71073","MoKα","","0.1236","0.0585","","","","0.1804","","","","","","1.092","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008788","12.756","0.003","6.87","0.001","15.74","0.003","90","","90","","90","","1379.4","0.5","90","0.1","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(N-Methylnitramino)-pyridine 1-oxide","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C48 H56 N24 O24 -","8","1","GD1027","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.","4-(<i>N</i>-Methylnitramino)pyridine 1-oxide","Acta Crystallographica Section C","1999","55","8","1292","1295","10.1107/S0108270199004552","","","0.71073","MoKα","","0.1045","0.0575","","","","0.1462","","","","","","1.153","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008789","7.9167","0.0007","22.1936","0.0016","9.9382","0.0011","90","","96.612","0.011","90","","1734.5","0.3","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Ferrocenoyl glycine benzyl ester","N-Ferrocenoyl glycine benzyl ester","","- C20 H19 Fe N O3 -","- C20 H19 Fe N O3 -","- C80 H76 Fe4 N4 O12 -","4","1","GD1028","Gallagher, John F.; Kenny, Peter T.M.; Sheehy, Michael J.","Intramolecular C—H···O and intermolecular N—H···O and C—H···O interactions in <i>N</i>-ferrocenoylglycine benzyl ester, an effective dihydrogen phosphate anion sensing agent","Acta Crystallographica Section C","1999","55","8","1257","1260","10.1107/S010827019900520X","","","0.7107","MolybdenumKα","","0.0703","0.0427","","","","0.0851","","","","","","1.02","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008790","7.338","0.001","8.6269","0.0005","8.877","0.001","80.98","0.01","84.62","0.01","72.65","0.01","529.09","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[bis(benzimidazole-N^3^)copper(II)-μ-suberato-O,O':O'',O''']","","- C22 H24 Cu N4 O4 -","- C22 H24 Cu N4 O4 -","- C22 H24 Cu N4 O4 -","1","0.5","JZ1349","Sieroń, Lesław; Bukowska-Strzyżewska, Maria","<i>catena</i>-Poly[[bis(benzimidazole-<i>N</i>^3^)copper(II)]-μ-suberato-<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] and <i>catena</i>-poly[[[bis(benzimidazole-<i>N</i>^3^)copper(II)]-μ-sebacato-<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] dihydrate]","Acta Crystallographica Section C","1999","55","8","1230","1234","10.1107/S0108270199005399","","","1.54178","CuKα","","0.0319","0.0317","","","","0.0876","","","","","","1.083","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008791","6.85","0.004","9.071","0.003","11.208","0.004","74.68","0.03","74.46","0.03","71.13","0.03","622.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[bis(benzimidazole-N^3^)copper(II)-μ-sebacato-O,O':O'',O'''] Dihydrate","","- C24 H32 Cu N4 O6 -","- C24 H32 Cu N4 O6 -","- C24 H32 Cu N4 O6 -","1","0.5","JZ1349","Sieroń, Lesław; Bukowska-Strzyżewska, Maria","<i>catena</i>-Poly[[bis(benzimidazole-<i>N</i>^3^)copper(II)]-μ-suberato-<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] and <i>catena</i>-poly[[[bis(benzimidazole-<i>N</i>^3^)copper(II)]-μ-sebacato-<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] dihydrate]","Acta Crystallographica Section C","1999","55","8","1230","1234","10.1107/S0108270199005399","","","1.54178","CuKα","","0.0473","0.042","","","","0.115","","","","","","1.084","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008792","5.2214","0.0001","13.1487","0.0002","13.4792","0.0002","119.075","0.001","91.46","0.001","90.094","0.001","808.43","0.02","293","","293","","","","","","","","","4","P -1","-P 1","2","","4,6-Bis(benzyloxy)-1,3,5-triazin-2-amine","","- C17 H16 N4 O2 -","- C17 H16 N4 O2 -","- C34 H32 N8 O4 -","2","1","JZ1354","Bolte, Michael; Sommer, Andrea; Noe, Christian Roland","4,6-Bis(benzyloxy)-1,3,5-triazin-2-ylamine","Acta Crystallographica Section C","1999","55","8","1304","1306","10.1107/S0108270199005971","","","0.71073","MoKα","","0.0522","0.0429","","0.1201","0.1114","0.1201","","","1.13","","","1.13","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008793","11.124","0.002","14.78","0.003","7.129","0.001","90","","93.17","0.03","90","","1170.3","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(4-Methylbenzoyl)benzoic acid","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","JZ1357","Degen, Alexander; Bolte, Michael","2-(p-Toluoyl)benzoic acid","Acta Crystallographica Section C","1999","55","8","1306","1308","10.1107/S0108270199006150","","","0.71073","MoKα","","0.134","0.058","","","","0.128","","","","","","1.032","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008794","5.0861","0.001","12.198","0.002","13.76","0.002","90","","96.07","0.015","90","","848.9","0.3","293","2","292","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 N4 O4 -","- C6 H8 N4 O4 -","- C24 H32 N16 O16 -","4","1","KA1296","Velikova, Velichka; Bakardjeva,Snejana; Angelova,Olyana","<i>N</i>-(2-Pyridinium)urea nitrate","Acta Crystallographica Section C","1999","55","8","1328","1330","10.1107/S0108270199000876","","","0.71073","MoKα","","0.0665","0.0475","","","","0.1338","","","","","","1.068","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008795","9.019","0.003","17.061","0.004","9.458","0.004","90","","93.9","0.04","90","","1452","0.9","223","2","223","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H40 Cl3 N O11 Pt S -","- C17 H40 Cl3 N O11 Pt S -","- C34 H80 Cl6 N2 O22 Pt2 S2 -","2","1","KA1320","Bruhn, Clemens; Gravenhorst, Olaf; Wagner, Christoph; Steinborn, Dirk","(<small>L</small>-2-Ammonio-4-methylsulfinylbutanoic acid-κ<i>S</i>)trichloroplatinum(II)‒18-crown-6‒water (1/1/2)","Acta Crystallographica Section C","1999","55","8","1255","1257","10.1107/S0108270199005132","","","0.71073","MoKα","","0.0369","0.0342","","0.0854","","0.0841","","","1.054","","","1.071","","","","has coordinates,has disorder","199607","2020-10-21","18:00:00",""
"2008796","9.4376","0.0007","13.168","0.002","10.035","0.002","90","","96.71","0.02","90","","1238.6","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","m-nitroglutethimide","3-(3'-nitrophenyl)-3-ethylpiperidine-2,6-dione","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C52 H56 N8 O16 -","4","1","KA1321","Danilovski, Aleksandar; Vinković, Mladen; Filić, Darko","Nitro derivatives of glutethimide","Acta Crystallographica Section C","1999","55","8","1300","1304","10.1107/S0108270199005673","","","1.54178","CuKα","","0.0518","0.0388","","","","0.1114","","","","","","1.084","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008797","8.5629","0.0018","8.8741","0.0015","10.594","0.002","114.483","0.008","108.831","0.008","92.235","0.008","679.3","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","o,p-dinitroglutethimide","3-(2',4'-dinitrophenyl)-3-ethylpiperidine-2,6-dione","","- C13 H13 N3 O6 -","- C13 H13 N3 O6 -","- C26 H26 N6 O12 -","2","1","KA1321","Danilovski, Aleksandar; Vinković, Mladen; Filić, Darko","Nitro derivatives of glutethimide","Acta Crystallographica Section C","1999","55","8","1300","1304","10.1107/S0108270199005673","","","1.54178","CuKα","","0.0512","0.0392","","","","0.1141","","","","","","1.026","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008798","6.804","0.0008","10.0373","0.001","18.682","0.002","90","","90","","90","","1275.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","7-Deaza-2'-deoxyisoguanosine","","","- C11 H16 N4 O5 -","- C11 H16 N4 O5 -","- C44 H64 N16 O20 -","4","1","KA1322","Seela, Frank; Wei, Changfu; Reuter, Hans; Kastner, Guido","7-Deaza-2'-deoxyisoguanosine adopts the form of an N1—H,2-keto tautomer","Acta Crystallographica Section C","1999","55","8","1335","1337","10.1107/S0108270199005685","","","0.71073","MoKα","","0.0553","0.0423","","","","0.1024","","","","","","1.078","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008799","8.1754","0.0009","8.2776","0.0009","25.696","0.004","84.509","0.011","84.279","0.012","89.941","0.009","1722.3","0.4","152","2","152","2","","","","","","","","4","P -1","-P 1","2","","2-Aminobenzimidazolium Nitrate","","- C7 H8 N4 O3 -","- C7 H8 N4 O3 -","- C56 H64 N32 O24 -","8","4","KA1323","Bats, Jan W.; Gördes, Dirk; Schmalz, Hans-Günther","2-Aminobenzimidazolium nitrate at 152K, a triclinic crystal structure with pronounced local pseudo-symmetry","Acta Crystallographica Section C","1999","55","8","1325","1328","10.1107/S0108270199004710","","","0.71073","MoKα","","0.0571","0.0432","","","","0.1042","","","","","","1.675","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008800","9.0064","0.0014","10.8717","0.0011","17.585","0.002","90","","103.717","0.011","90","","1672.7","0.4","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C42 H34 O2 P2 Pt -","- C42 H34 O2 P2 Pt -","- C84 H68 O4 P4 Pt2 -","2","1","LN1077","Lesley, M.J. Gerald; Clegg, William; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Scott, Andrew J.; Starbuck, Jonathan","Three Pt^II^ catecholate and 1,2-dithiocatecholate complexes","Acta Crystallographica Section C","1999","55","8","1272","1275","10.1107/S0108270199005715","","","0.71073","MoKα","","0.0391","0.0348","","0.0806","0.0797","","","","0.97","1.023","1.023","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008801","9.0177","0.0007","10.9977","0.0008","17.9351","0.0012","90","","102.093","0.002","90","","1739.2","0.2","160","2","160","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C42 H34 P2 Pt S2 -","- C42 H34 P2 Pt S2 -","- C84 H68 P4 Pt2 S4 -","2","1","LN1077","Lesley, M.J. Gerald; Clegg, William; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Scott, Andrew J.; Starbuck, Jonathan","Three Pt^II^ catecholate and 1,2-dithiocatecholate complexes","Acta Crystallographica Section C","1999","55","8","1272","1275","10.1107/S0108270199005715","","","0.71073","MoKα","","0.0192","0.0184","","0.0465","0.0456","","","","1.124","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008802","10.338","0.002","16.142","0.003","26.162","0.004","90","","93.952","0.01","90","","4355.4","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H77 O2 P2 Pt -","- C45 H77 O2 P2 Pt -","- C180 H308 O8 P8 Pt4 -","4","1","LN1077","Lesley, M.J. Gerald; Clegg, William; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Scott, Andrew J.; Starbuck, Jonathan","Three Pt^II^ catecholate and 1,2-dithiocatecholate complexes","Acta Crystallographica Section C","1999","55","8","1272","1275","10.1107/S0108270199005715","","","0.71073","MoKα","","0.1158","0.0558","","0.092","0.0767","","","","1.029","1.102","1.102","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008803","10.866","0.002","12.39","0.001","11.845","0.001","90","","101.2","0.01","90","","1564.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-3-{[2-(dimethoxythiophosphoryl)- 2-methylhydrazino]methylidene}-3,4-dihydro-2H-1-benzopyran-2,4-dione","","- C13 H15 N2 O5 P S -","- C13 H15 N2 O5 P S -","- C52 H60 N8 O20 P4 S4 -","4","1","NA1410","Rybarczyk, Agnieszka J.; Olszak, Tomasz A.; Małecka, Magdalena; Nawrot-Modranka, Jolanta","X-ray investigations of benzopyran derivatives substituted at position 3","Acta Crystallographica Section C","1999","55","8","1313","1315","10.1107/S0108270199004734","","","0.71073","MoKα","","0.093","0.038","","","","0.11","","","","","","0.943","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008804","7.666","0.003","15.521","0.002","7.47","0.002","101.53","0.02","115.5","0.03","91.91","0.03","778.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-{[2-(dimethoxythiophosphoryl)- 2-methylhydrazino]carbonyl}-3,4-dihydro-2H-1-benzopyran-2,4-dione","","- C13 H15 N2 O5 P S -","- C13 H15 N2 O5 P S -","- C26 H30 N4 O10 P2 S2 -","2","1","NA1410","Rybarczyk, Agnieszka J.; Olszak, Tomasz A.; Małecka, Magdalena; Nawrot-Modranka, Jolanta","X-ray investigations of benzopyran derivatives substituted at position 3","Acta Crystallographica Section C","1999","55","8","1313","1315","10.1107/S0108270199004734","","","0.71073","MoKα","","0.045","0.035","","","","0.119","","","","","","1.085","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008805","8.9162","0.0001","9.6764","0.0001","20.0766","0.0001","78.536","0.001","81.52","0.001","83.922","0.001","1673.78","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","{4,4'-Dimethyl-6,6'-bis(morpholinomethyl)-2,2'-[1,3- propanediylbis(nitrilomethylidene)]diphenolato-O,N,N',O'}manganese(II) diperchlorate monohydrate","","- C28 H38 Cl2 Mn N4 O13 -","- C28 H38 Cl2 Mn N4 O13 -","- C56 H76 Cl4 Mn2 N8 O26 -","2","1","NA1412","R. Thirumurugan; S. Shanmuga Sundara Raj; G. Shanmugam; Hoong-Kun Fun; J. Manonmani; M. Kandaswamy","{4,4'-Dimethyl-6,6'-bis(morpholinomethyl)-2,2'-[1,3-propanediylbis(nitrilomethylidene)]diphenolato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(II) diperchlorate monohydrate","Acta Crystallographica Section C","1999","55","8","1218","1220","10.1107/S0108270199005016","","","0.71073","MoKα","","0.073","0.064","","","","0.207","","","","","","1.09","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008806","10.546","0.001","14.229","0.001","10.807","0.001","90","","99.75","0.01","90","","1598.3","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N,N' - Bis[2-hydroxy-3-morpholinomethyl)-5-methyl]benzyl ethylenediamino copper(II) perchlorate. dihydrate","","- C28 H45 Cl Cu N4 O10 -","- C28 H45 Cl Cu N4 O10 -","- C56 H90 Cl2 Cu2 N8 O20 -","2","1","NA1413","Shanmuga Sundara Raj, S.; Velmurugan, D.; Gunasekaran, K.; Fun, Hoong-Kun; Manonmani, J.; Kandaswamy, M.","{4,4'-Dimethyl-6'-morpholiniomethyl-6-mor-pholinomethyl-2,2'[1,2-ethanediylbis(iminomethylene)]diphenolato}copper(II) perchlorate dihydrate","Acta Crystallographica Section C","1999","55","8","1222","1224","10.1107/S0108270199005776","","","0.71073","MoKα","","0.03","0.028","","","","0.074","","","","","","1.017","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008807","8.4551","0.0002","8.9044","0.0002","10.7293","0.0003","91.142","0.001","107.437","0.001","113.035","0.001","700.5","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-Benzoyl-N'-methyl-N'-phenyl thiourea","","- C15 H14 N2 O S -","- C15 H14 N2 O S -","- C30 H28 N4 O2 S2 -","2","1","NA1414","S. Shanmuga Sundara Raj; K. Puviarasan; D. Velmurugan; G. Jayanthi; Hoong-Kun Fun","N—H···S hydrogen bonding in <i>N</i>-benzoyl-<i>N</i>'-methyl-<i>N</i>'-phenylthiourea and <i>N</i>-benzoyl-<i>N</i>'-(3,4-dimethylphenyl)thiourea","Acta Crystallographica Section C","1999","55","8","1318","1320","10.1107/S0108270199005788","","","0.71073","MoKα","","0.069","0.041","","","","0.104","","","","","","0.925","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008808","5.4664","0.0001","28.0208","0.0004","9.8585","0.0001","90","","94.262","0.001","90","","1505.88","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Benzoyl-N'-(3,4-dimethylphenyl)thiourea","","- C16 H16 N2 O S -","- C16 H16 N2 O S -","- C64 H64 N8 O4 S4 -","4","1","NA1414","S. Shanmuga Sundara Raj; K. Puviarasan; D. Velmurugan; G. Jayanthi; Hoong-Kun Fun","N—H···S hydrogen bonding in <i>N</i>-benzoyl-<i>N</i>'-methyl-<i>N</i>'-phenylthiourea and <i>N</i>-benzoyl-<i>N</i>'-(3,4-dimethylphenyl)thiourea","Acta Crystallographica Section C","1999","55","8","1318","1320","10.1107/S0108270199005788","","","0.71073","MoKα","","0.077","0.053","","","","0.165","","","","","","1.056","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008809","7.498","0.004","9.666","0.005","28.04","0.02","90","","90","","90","","2032","2","293","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(S)-8-Chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo [4,5,1-jk][1,4]benzodiazepinium-2(1H)-thione Bromide Methanol Solvate","","- C17 H25 Br Cl N3 O S -","- C17 H25 Br Cl N3 O S -","- C68 H100 Br4 Cl4 N12 O4 S4 -","4","1","NA1419","Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.","(<i>S</i>)-8-Chloro-5-methyl-6-(3-methylbut-2-enyl)-2-thioxo-1<i>H</i>-4,5,6,7-tetrahydroimidazo[4,5,1-<i>jk</i>][1,4]benzodiazepinium bromide methanol solvate","Acta Crystallographica Section C","1999","55","8","1322","1325","10.1107/S0108270199005892","","","0.71073","MoKα","","0.082","0.046","","0.108","","0.108","","","1.052","","","1.052","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008810","10.78","0.003","11.004","0.003","12.108","0.002","90","","90","","90","","1436.3","0.6","298.2","","298.2","","","","","","","","","6","P c a 21","P 2c -2ac","29","Tetrakis(methylamine)oxalatocobalt(III)","","","- C6 H20 Cl Co N4 O8 -","- C6 H20 Cl Co N4 O8 -","- C24 H80 Cl4 Co4 N16 O32 -","4","1","OA1068","Kitamura, Yoichi; Azuma, Nagao; Matsuda, Taro; Tanabe, Yoichi","Tetrakis(methylamine-<i>N</i>)(oxalato-<i>O</i>^1^,<i>O</i>^2^)cobalt(III) perchlorate and tetrakis(ethylamine-<i>N</i>)(oxalato-<i>O</i>^1^,<i>O</i>^2^)cobalt(III) perchlorate monohydrate","Acta Crystallographica Section C","1999","55","8","1267","1270","10.1107/S0108270199005594","","","0.7107","MoKα","","","0.064","","","","0.048","","","","","","1.287","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008811","10.128","0.003","13.538","0.003","14.994","0.003","90","","103.23","0.01","90","","2001.3","0.8","298.2","","298.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tetrakis(ethylamine)oxalatocobalt(III)","","","- C10 H30 Cl Co N4 O9 -","- C10 H30 Cl Co N4 O9 -","- C40 H120 Cl4 Co4 N16 O36 -","4","1","OA1068","Kitamura, Yoichi; Azuma, Nagao; Matsuda, Taro; Tanabe, Yoichi","Tetrakis(methylamine-<i>N</i>)(oxalato-<i>O</i>^1^,<i>O</i>^2^)cobalt(III) perchlorate and tetrakis(ethylamine-<i>N</i>)(oxalato-<i>O</i>^1^,<i>O</i>^2^)cobalt(III) perchlorate monohydrate","Acta Crystallographica Section C","1999","55","8","1267","1270","10.1107/S0108270199005594","","","0.7107","MoKα","","","0.066","","","","0.045","","","","","","1.259","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008812","13.093","0.002","8.836","0.001","14.724","0.001","90","","92.913","0.008","90","","1701.2","0.3","296","5","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N4 O3 S Zn -","- C14 H18 N4 O3 S Zn -","- C56 H72 N16 O12 S4 Zn4 -","4","1","OA1085","Noriko Chikaraishi Kasuga; Yayoi Hara; Chisa Koumo; Kiyoshi Sekino; Kenji Nomiya","Two novel zinc(II) complexes of <i>N</i>'-[1-(2-pyridyl)ethylidene]morpholine-4-carbothiohydrazide","Acta Crystallographica Section C","1999","55","8","1264","1267","10.1107/S0108270199004199","","","0.71069","MoKα","","0.067","0.036","","0.109","0.095","","","","1.029","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008813","9.5284","0.0015","10.829","0.002","8.863","0.003","91.94","0.03","94","0.02","101.698","0.013","892.3","0.4","293","3","293","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 N6 O7 S Zn -","- C12 H16 N6 O7 S Zn -","- C24 H32 N12 O14 S2 Zn2 -","2","1","OA1085","Noriko Chikaraishi Kasuga; Yayoi Hara; Chisa Koumo; Kiyoshi Sekino; Kenji Nomiya","Two novel zinc(II) complexes of <i>N</i>'-[1-(2-pyridyl)ethylidene]morpholine-4-carbothiohydrazide","Acta Crystallographica Section C","1999","55","8","1264","1267","10.1107/S0108270199004199","","","0.71069","MoKα","","0.119","0.04","","0.12","0.093","","","","0.959","1.023","1.023","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008814","25.493","0.0013","49.577","0.003","9.1095","0.0005","90","","90","","90","","11513.2","1.1","223","2","223","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C60 H58 Cl6 N2 Ni O2 P2 Pd2 -","- C60 H58 Cl6 N2 Ni O2 P2 Pd2 -","- C480 H464 Cl48 N16 Ni8 O16 P16 Pd16 -","8","0.5","OA1087","Kamiyama, Asako; Kajiwara, Takashi; Ito, Tasuku","A trinuclear Pd~2~Ni complex, [(C~6~H~5~)~4~ P]~2~[(PdCl~3~)~2~{Ni(C~12~H~18~N~2~O~2~)}]","Acta Crystallographica Section C","1999","55","8","1282","1284","10.1107/S0108270199005545","","","0.71073","MoKα","","0.021","0.019","","","","0.047","","","","","","0.959","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008815","12.565","0.002","10.784","0.001","14.512","0.001","90","","105.716","0.008","90","","1892.9","0.4","296.2","","296.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,11-dithia[3.3.1]paracyclophane","","","- C23 H22 S2 -","- C23 H22 S2 -","- C92 H88 S8 -","4","1","OB1006","Itoh, Kuniaki; Nishikawa, Kazuyoshi; Hashimoto, Masao; Yamada, Hiroaki","2,11-Dithia[3.3.1]paracyclophane, (I), and 2,11-dithia[3.3.2]paracyclophane, (II)","Acta Crystallographica Section C","1999","55","8","1357","1360","10.1107/S0108270199004503","","","0.7107","MoKα","","","0.0613","","","0.0535","","","","","1.341","1.341","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008816","14.345","0.003","7.585","0.003","19.248","0.002","90","","105.57","0.01","90","","2017.5","0.9","298.2","","298.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,11-dithia[3.3.2]paracyclophane","","","- C24 H24 S2 -","- C24 H24 S2 -","- C96 H96 S8 -","4","1","OB1006","Itoh, Kuniaki; Nishikawa, Kazuyoshi; Hashimoto, Masao; Yamada, Hiroaki","2,11-Dithia[3.3.1]paracyclophane, (I), and 2,11-dithia[3.3.2]paracyclophane, (II)","Acta Crystallographica Section C","1999","55","8","1357","1360","10.1107/S0108270199004503","","","1.5418","CuKα","","","0.0421","","","0.0444","","","","","1.484","1.484","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008817","13.939","0.005","16.806","0.005","15.596","0.004","90","","107.11","0.02","90","","3491.8","1.9","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(tetrahydrofuran)(meso-tetraethylporphyrinato)iron(III) perchlorate","","- C36 H44 Cl Fe N4 O6 -","- C36 H44 Cl Fe N4 O6 -","- C144 H176 Cl4 Fe4 N16 O24 -","4","0.5","OB1008","Ohgo, Yoshiki; Saitoh, Takashi; Nakamura, Mikio","(<i>meso</i>-Tetraethylporphyrinato)bis(tetrahydrofuran)iron(III) perchlorate","Acta Crystallographica Section C","1999","55","8","1284","1286","10.1107/S0108270199005429","","","0.71069","MoKα","","0.117","0.054","","","","0.157","","","","","","1.05","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008818","7.8427","0.0012","10.2644","0.0013","16.961","0.002","90","","90","","90","","1365.4","0.3","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5,7-diphenyl[1,2,4]triazolo[1,5-a]pyrimidine","","- C17 H12 N4 -","- C17 H12 N4 -","- C68 H48 N16 -","4","1","OS1048","Surdykowski, Andrzej; Szłyk, Edward; Larsen, Sine","5,7-Diphenyl[1,2,4]triazolo[1,5-<i>a</i>]pyrimidine at 122K","Acta Crystallographica Section C","1999","55","8","1337","1339","10.1107/S0108270199004631","","","1.54184","CuKα","","0.0315","0.0311","","","","0.0809","","","","","","1.02","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008819","8.217","0.002","16.7363","0.0011","12.029","0.004","90","","100.53","0.04","90","","1626.4","0.7","208","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-difluoro-chloro-tris(pyridine)-osmium-(III)","","- C15 H15 Cl F2 N3 Os -","- C15 H15 Cl F2 N3 Os -","- C60 H60 Cl4 F8 N12 Os4 -","4","1","OS1051","Kolf, Stephan; Preetz, Wilhelm","<i>trans</i>-Chlorodifluorotris(pyridine-<i>N</i>)osmium(III)","Acta Crystallographica Section C","1999","55","8","1216","1218","10.1107/S010827019900205X","","","0.71069","MoKα","","0.03","0.02","","","","0.059","","","","","","0.934","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008820","7.203","0.001","7.67","0.002","12.197","0.002","90","","99.1","0.03","90","","665.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","OS1054","Govindasamy, L.; Velmurugan, D.; Rajendran, T.M.","An N···H—O intramolecular strong hydrogen bond in <i>N</i>-(2-aminophenyl)naphthaldimine","Acta Crystallographica Section C","1999","55","8","1368","1369","10.1107/S0108270199004527","","","1.54178","CuKα","","0.0344","0.0318","","","","0.1067","","","","","","1.039","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008821","10.2215","0.0002","20.8692","0.0004","12.87","0.0001","90","","98.13","0.001","90","","2717.77","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N2 O6 S -","- C30 H26 N2 O6 S -","- C120 H104 N8 O24 S4 -","4","1","OS1056","Govindasamy, L.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Hoong-Kun Fun","Dimethyl α-(2-benzyl-1-methyl-4-phenylsulfonylpyrrolo[3,4-<i>b</i>]indol-3-yl)maleate","Acta Crystallographica Section C","1999","55","8","1315","1317","10.1107/S010827019900565X","","","0.71073","MoKα","","0.07","0.0487","","","","0.1756","","","","","","1.129","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008822","8.7236","0.0018","9.748","0.003","8.134","0.0019","98.28","0.02","109.745","0.016","100.48","0.02","624.2","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C30 H38 N2 O4 -","2","1","OS1062","Stájer, Géza; Virág, Miklós; Sillanpää, Reijo","Two isomers of 1,4a,5,7,8,9,9a,10,11,12a-decahydro-1,4-methanocyclopenta[<i>b</i>]pyrrolo[1,6a-<i>a</i>][3,1]benzoxazin-11-one","Acta Crystallographica Section C","1999","55","8","1342","1344","10.1107/S0108270199005600","","","0.71069","MoKα","","0.077","0.0429","","","","0.1061","","","","","","1.036","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008823","18.5108","0.0018","6.644","0.004","21.2349","0.0015","90","","105.69","0.006","90","","2514.3","1.5","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C120 H152 N8 O16 -","8","1","OS1062","Stájer, Géza; Virág, Miklós; Sillanpää, Reijo","Two isomers of 1,4a,5,7,8,9,9a,10,11,12a-decahydro-1,4-methanocyclopenta[<i>b</i>]pyrrolo[1,6a-<i>a</i>][3,1]benzoxazin-11-one","Acta Crystallographica Section C","1999","55","8","1342","1344","10.1107/S0108270199005600","","","0.71069","MoKα","","0.0785","0.0431","","","","0.1179","","","","","","1.026","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008824","5.3724","0.0004","5.3724","0.0004","11.7932","0.0016","90","","90","","90","","340.38","0.06","297","1","297","1","","","","","","","","3","I 41/a :2","-I 4ad","88","none","Silver Perrhenate","","- Ag O4 Re -","- Ag O4 Re -","- Ag4 O16 Re4 -","4","0.25","QA0115","Dmitry Yu. Naumov; Alexander V. Virovets; Sergey V. Korenev; Alexander I. Gubanov","Silver perrhenate, AgReO~4~","Acta Crystallographica Section C","1999","55","8","IUC9900097","","10.1107/S0108270199099138","","","0.71073","MoKα","","0.025","0.022","","","","0.049","","","","","","1.133","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008825","7.464","0.0016","7.85","0.0019","11.778","0.004","90","0.02","99.4","0.02","90","0.02","680.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","[2-Amino-4,6-dimethyl-1,3,5-triazine]","","- C5 H8 N4 -","- C5 H8 N4 -","- C20 H32 N16 -","4","1","QA0130","Becker, Michael; Jansen, Martin","2-Amino-4,6-dimethyl-1,3,5-triazine","Acta Crystallographica Section C","1999","55","8","IUC9900094","","10.1107/S0108270199099060","","","0.71079","MoKα","","0.074","0.064","","","","0.205","","","","","","1.113","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008826","22.478","0.004","9.718","0.002","8.734","0.002","90","","102.62","0.03","90","","1861.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(N-ethyl-N-iso-propyldithiocarbamato)lead(II)","","- C12 H24 N2 Pb S4 -","- C12 H24 N2 Pb S4 -","- C48 H96 N8 Pb4 S16 -","4","0.5","QA0132","Ng, Seik Weng","Space-group revision for bis(<i>N</i>-ethyl-<i>N</i>-isopropyldithiocarbamato)lead(II)","Acta Crystallographica Section C","1999","55","8","IUC9900091","","10.1107/S0108270199099102","","","0.71073","MoKα","","0.053","0.032","","","","0.084","","","","","","1.069","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008827","11.904","0.004","12.042","0.002","15.436","0.004","90","","112.48","0.02","90","","2044.6","1","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Br2 Li2 N4 -","- C12 H32 Br2 Li2 N4 -","- C48 H128 Br8 Li8 N16 -","4","1","QA0138","Henderson, Kenneth W.; Kennedy, Alan R.; Kerr, William J.; Moran, Paul H.","Redetermination of di-μ-bromo-bis[(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-<i>N</i>,<i>N</i>')lithium]","Acta Crystallographica Section C","1999","55","8","IUC9900078","","10.1107/S0108270199099096","","","0.71069","MoKα","","0.1066","0.0363","","0.0486","0.0403","","","","","1.228","1.228","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008828","11.473","0.001","7.28","0.001","12.546","0.001","90","0.001","91.02","0.001","90","0.001","1047.72","0.19","298","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C44 H40 N16 -","4","1","QA0140","Achamlade, S.; El Hallaoui, A.; Hasnaoui, A.; Elachqar, A.; El Hajji, S.; Bellan, J.; Lopez, J.; Pierrot, M.","1-Propargyl-5-<i>p</i>-tolyl-1<i>H</i>-tetrazole and 2-propargyl-5-<i>p</i>-tolyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","1999","55","8","IUC9900081","","10.1107/S0108270199099059","","","0.71073","MoKα","","","0.05","","","","0.078","","","","","","1.072","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008829","6.8758","0.0004","13.7186","0.0007","22.187","0.001","90","0.01","94.666","0.003","90","0.01","2085.88","0.19","298","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C88 H80 N32 -","8","2","QA0140","Achamlade, S.; El Hallaoui, A.; Hasnaoui, A.; Elachqar, A.; El Hajji, S.; Bellan, J.; Lopez, J.; Pierrot, M.","1-Propargyl-5-<i>p</i>-tolyl-1<i>H</i>-tetrazole and 2-propargyl-5-<i>p</i>-tolyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","1999","55","8","IUC9900081","","10.1107/S0108270199099059","","","0.71073","MoKα","","","0.047","","","","0.064","","","","","","1.235","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008830","5.758","0.001","5.758","0.001","24.498","0.001","90","","90","","120","","703.4","0.18","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Dicalcium aluminium hydroxide bromide dihydrate","","- Al Br Ca2 H10 O8 -","- Al Br Ca2 H9.9996 O8 -","- Al3 Br3 Ca6 H29.9988 O24 -","3","0.166667","QA0141","Rapin, Jean-Philippe; Mohamed Noor, Norlidah; François, Michel","The double layered hydroxide 3CaO^.^Al~2~O~3~^.^CaBr~2~^.^10H~2~O","Acta Crystallographica Section C","1999","55","8","IUC9900092","","10.1107/S0108270199099126","","","0.56087","AgKα","","0.024","0.021","","","","0.075","","","","","","0.966","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008831","15.8643","0.0001","6.0887","0.0001","20.3014","0.0001","90","","104.227","0.001","90","","1900.83","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,3'-bis-indolyl (4-methylphenyl) methane","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","1","QA0142","R. Krishna; D. Velmurugan; S. Shanmuga Sundara Raj; Hoong-Kun Fun; G. Babu; P. T. Perumal","Bis(indol-3-yl)(4-methylphenyl)methane","Acta Crystallographica Section C","1999","55","8","IUC9900084","","10.1107/S0108270199099047","","","0.71073","MoKα","","0.105","0.066","","","","0.2","","","","","","1.081","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008832","9.0236","0.0001","14.373","0.0001","19.7887","0.0001","90","","92.899","0.001","90","","2563.23","0.04","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 I2 P2 Pt -","- C25 H22 I2 P2 Pt -","- C100 H88 I8 P8 Pt4 -","4","1","QA0143","Arendse, Malcolm J.; Anderson, Gordon K.; Rath, Nigam P.","Diiodo[methylenebis(diphenylphosphine)-<i>P</i>,<i>P</i>']platinum(II), [PtI~2~(dppm)]","Acta Crystallographica Section C","1999","55","8","IUC9900083","","10.1107/S0108270199099084","","","0.71073","MoKα","","0.044","0.028","","","","0.061","","","","","","1.039","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008833","13.77","0.003","9.491","0.002","8.205","0.002","90","","98.28","0.03","90","","1061.1","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,4-bis(4H-1,2,4-triazol-4-yl)benzene monohydrate","1,4-Phenylene-bis(1,3,4-triazole) monohydrate","","- C10 H10 N6 O -","- C10 H10 N6 O -","- C40 H40 N24 O4 -","4","0.5","QA0144","Cai, Hu; Hu, Huai-Ming; Chen, Wan-Zhi; Xu, Yan; You, Xiao-Zeng","1,4-Bis(4<i>H</i>-1,2,4-triazol-4-yl)benzene monohydrate","Acta Crystallographica Section C","1999","55","8","IUC9900082","","10.1107/S0108270199099035","","","0.71073","MoKα","","0.086","0.052","","0.135","","0.122","","","0.992","","","1.094","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008834","10.619","0.005","30.105","0.014","10.582","0.003","90","","90","","90","","3383","2","158","2","158","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C144 H144 N16 O48 -","16","1","QA0145","Kovalevsky, A. Yu.","Redetermination of <i>N</i>-acetylanthranilic acid at 158K","Acta Crystallographica Section C","1999","55","8","IUC9900093","","10.1107/S0108270199099023","","","0.71073","MoKα","","0.047","0.034","","0.198","","0.105","","","1.142","","","1.15","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008835","8.665","0.002","9.365","0.005","16.429","0.003","90","","99.84","0.01","90","","1313.6","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","QA0148","Thuéry, Pierre; Nierlich, Martine; Roux, Marie-Claude; Wartski, Lya","(3<i>S</i>,4<i>R</i>)-4-Benzoyl-3-(2-methyl-2-propenyl)tetrahydrofuran-2-one","Acta Crystallographica Section C","1999","55","8","IUC9900096","","10.1107/S0108270199099011","","","0.71073","MoKα","","0.084","0.047","","0.155","","0.123","","","1.072","","","1.175","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008836","10.5481","0.0005","8.9867","0.0004","18.5961","0.0009","90","","94.426","0.001","90","","1757.52","0.14","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-methylhydroxy-(cyclopentadienyl (cyclopentadienyl)iron)-1,2-dicarba-closo-dodecaborane","","- C13 H22 B10 Fe O -","- C13.005 H22 B10 Fe O -","- C52.02 H88 B40 Fe4 O4 -","4","1","QB0085","Crundwell, Guy; Arellanes, Chuauthemoc; Gomez, Frank; Kantardjieff, Katherine","1-[Ferrocenyl(hydroxy)methyl]-1,2-dicarba-<i>closo</i>-dodecaborane","Acta Crystallographica Section C","1999","55","8","IUC9900087","","10.1107/S0108270199099072","","","0.71073","MoKα","","0.057","0.041","","","","0.093","","","","","","1.02","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008837","19.1266","0.0019","8.2451","0.0008","10.0462","0.001","90","","90","","90","","1584.3","0.3","173","2","173","2","","","","","","","","4","I b a 2","I 2 -2c","45","","d,l-2,4-bis(phenylthio)-3-pentanone","","- C17 H18 O S2 -","- C17 H18 O S2 -","- C68 H72 O4 S8 -","4","0.5","QB0086","Crundwell, Guy; Kessler, Jacqueline; Kaller, Matt; McCoy, Mike; Bayne, Christopher; Hardinger, Steven A.; Kantardjieff, Katherine","<i>dl</i>-2,4-Bis(phenylthio)pentan-3-one and <i>dl</i>-2,4-bis(2,6-dimethylphenylthio)pentan-3-one at 173K","Acta Crystallographica Section C","1999","55","8","IUC9900088","","10.1107/S010827019909900X","","","0.71073","MoKα","","0.097","0.058","","","","0.136","","","","","","0.948","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008838","8.351","0.0013","14.027","0.002","16.201","0.003","90","","90","0.003","90","","1897.8","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","d,l-2,4-bis(2',6'dimethylphenylthio)-3-pentanone","","- C21 H26 O S2 -","- C21 H26 O S2 -","- C84 H104 O4 S8 -","4","1","QB0086","Crundwell, Guy; Kessler, Jacqueline; Kaller, Matt; McCoy, Mike; Bayne, Christopher; Hardinger, Steven A.; Kantardjieff, Katherine","<i>dl</i>-2,4-Bis(phenylthio)pentan-3-one and <i>dl</i>-2,4-bis(2,6-dimethylphenylthio)pentan-3-one at 173K","Acta Crystallographica Section C","1999","55","8","IUC9900088","","10.1107/S010827019909900X","","","0.71073","MoKα","","0.078","0.048","","","","0.101","","","","","","1","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008839","13.6707","0.001","10.4841","0.001","13.9479","0.0012","90","","115.943","0.006","90","","1797.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-carboethoxy-2,6-dichlorophenylimino)-1-isobutyrylimidazolidine","","- C16 H19 Cl2 N3 O3 -","- C16 H19 Cl2 N3 O3 -","- C64 H76 Cl8 N12 O12 -","4","1","QB0092","E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo","Substituted clonidine derivatives. II. Ethyl 3,5-dichloro-4-(1-isobutyrylimidazolidin-2-ylideneamino)benzoate and ethyl 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzoate","Acta Crystallographica Section C","1999","55","8","IUC9900085","","10.1107/S0108270199098996","","","0.71073","MoKα","","0.059","0.039","","","","0.11","","","","","","0.95","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008840","42.7786","0.0003","9.2896","0.0002","22.7485","0.0003","90","","104.407","0.001","90","","8755.9","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(4-carboethoxy-2,6-dichlorophenylimino)-1,3-diisobutyrylimidazolidine","","- C20 H25 Cl2 N3 O4 -","- C20 H25 Cl2 N3 O4 -","- C320 H400 Cl32 N48 O64 -","16","2","QB0092","E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo","Substituted clonidine derivatives. II. Ethyl 3,5-dichloro-4-(1-isobutyrylimidazolidin-2-ylideneamino)benzoate and ethyl 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzoate","Acta Crystallographica Section C","1999","55","8","IUC9900085","","10.1107/S0108270199098996","","","0.71073","MoKα","","0.199","0.083","","","","0.213","","","","","","1.04","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008841","13.73","0.0001","8.54","0.0001","19.741","0.0001","90","","96.363","0.001","90","","2300.46","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-hydroxymethyl-2,6-dichlorophenylimino)imidazolidine","","- C10 H11 Cl2 N3 O -","- C10 H11 Cl2 N3 O -","- C80 H88 Cl16 N24 O8 -","8","2","QB0093","E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo","Substituted clonidine derivatives. III. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzyl alcohol and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzyl isobutyrate","Acta Crystallographica Section C","1999","55","8","IUC9900086","","10.1107/S0108270199098984","","","0.71073","MoKα","","0.049","0.036","","0.094","0.085","","","","1.05","1.06","1.06","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008842","12.0244","0.0001","21.8128","0.0001","9.5663","0.0001","90","","101.403","0.001","90","","2459.58","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-isobutyryloxymethyl-2,6-dichlorophenylimino)-1,3-diisobutyrylimidazolidine","","- C22 H29 Cl2 N3 O4 -","- C22 H29 Cl2 N3 O4 -","- C88 H116 Cl8 N12 O16 -","4","1","QB0093","E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo","Substituted clonidine derivatives. III. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzyl alcohol and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzyl isobutyrate","Acta Crystallographica Section C","1999","55","8","IUC9900086","","10.1107/S0108270199098984","","","0.71073","MoKα","","0.126","0.075","","","","0.233","","","","","","0.97","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008843","8.301","0.002","9.287","0.002","6.791","0.002","98.67","0.02","100.73","0.02","70.49","0.02","482.6","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H34 O4 -","- C22 H34 O4 -","- C22 H34 O4 -","1","0.5","QB0097","Anthony R. J. Genge; Raymond J. Boffey; Jeremy D. Kilburn","(3<i>S</i>,3a<i>R</i>,6<i>S</i>,7a<i>R</i>)-3-{2-[(3<i>R</i>,3a<i>S</i>,6<i>R</i>,7a<i>S</i>)-6-Hydroxy-6-methyl-5-methyleneperhydrobenzo[<i>b</i>]furan-3-yl]ethyl}-6-methyl-5-methyleneperhydrobenzo[<i>b</i>]furan-6-ol","Acta Crystallographica Section C","1999","55","8","IUC9900089","","10.1107/S0108270199098972","","","0.71073","MoKα","","0.047","0.036","","","","0.105","","","","","","1.063","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008844","6.781","0.001","6.781","0.001","18.835","0.004","90","","90","","90","","866.1","0.3","293","2","293","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","nickel arsenate","nickel arsenate","","- As3 Ni4.35 O12 -","- As3 Ni4.356 O12 -","- As12 Ni17.424 O48 -","4","0.25","QB0098","Jacques Barbier","Tetragonal Ni~4.35~As~3~O~11.7~(OH)~0.3~","Acta Crystallographica Section C","1999","55","8","IUC9900080","","10.1107/S0108270199099114","","","0.56086","AgKα","","0.041","0.029","","0.055","0.051","","","","0.896","0.954","0.954","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008845","7.844","0.003","7.035","0.003","17.696","0.007","90","","100.6","0.03","90","","959.8","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O4 S -","- C18 H24 N2 O4 S -","- C36 H48 N4 O8 S2 -","2","1","QB0102","Wei Zhu; Guishu Yang; Kaibai Yu","(<i>R</i>~S~)-(1<i>R</i>,2<i>S</i>,3<i>R</i>)-2-Methoxy-1,7,7-trimethyl-<i>N</i>-(4-nitrobenzylidene)bicyclo[2.2.1]heptane-3-sulfinamide","Acta Crystallographica Section C","1999","55","8","IUC9900090","","10.1107/S0108270199098960","","","0.71073","MoKα","","0.105","0.041","","","","0.088","","","","","","0.782","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008846","8.3947","0.0004","12.015","0.0005","12.8347","0.0006","90","","101.527","0.001","90","","1268.43","0.1","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Kemp's acid","cis,cis-1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid","","- C12 H18 O6 -","- C12 H18 O6 -","- C48 H72 O24 -","4","1","QB0103","Alan Hazell; Hans Toftlund","Kemp's acid at 120K","Acta Crystallographica Section C","1999","55","8","IUC9900079","","10.1107/S0108270199098959","","","0.71073","MoKα","","","0.031","","","","0.04","","","","","","1.505","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008847","15.6977","0.0001","8.7328","0.0001","21.2064","0.0005","90","","90","","90","","2907.08","0.08","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C136 H120 N24 O16 -","8","1","QB0104","Xiao-Feng Chen; Xu-Hui Zhu; Jagadese J. Vittal; Xiao-Zeng You","5-[(2-Ethoxyphenyl)diazenyl]quinolin-8-ol","Acta Crystallographica Section C","1999","55","8","IUC9900095","","10.1107/S0108270199098947","","","0.71073","MoKα","","0.092","0.068","","","","0.136","","","","","","1.225","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008848","6.794","0.0005","6.794","0.0005","11.9557","0.0011","90","","90","","90","","551.86","0.08","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Copper(II)-cyclopropane-1,1-carboxylate","Copper(II)-cyclopropane-1,1-carboxylate","","- C5 H4 Cu O4 -","- C5 H4 Cu O4 -","- C20 H16 Cu4 O16 -","4","0.5","SK1210","Petri, Alke; Schwarz, Thomas; Schilling, Joachim; Lentz, Axel","Polymeric (cyclopropane-1,1-dicarboxylato)copper(II)","Acta Crystallographica Section C","1999","55","8","1247","1248","10.1107/S0108270199005867","","","0.71073","MoKα","","0.0195","0.0184","","","","0.0477","","","","","","1.095","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008849","10.293","0.002","11.909","0.002","10.252","0.002","90","","90","","90","","1256.7","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","tricαesium niobium tetraselenide","","- Cs3 Nb Se4 -","- Cs3 Nb Se4 -","- Cs12 Nb4 Se16 -","4","0.5","SK1211","Krause, Oliver; Näther, Christian; Bensch, Wolfgang","Cs~3~NbSe~4~","Acta Crystallographica Section C","1999","55","8","1197","1199","10.1107/S0108270199004941","","","0.71073","MoKα","","0.057","0.036","","","","0.095","","","","","","1.056","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008850","19.784","0.009","11.101","0.009","12.384","0.004","90","","106.59","0.02","90","","2607","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(N,N'-diphenylguanidinium) oxalate","","- C28 H28 N6 O4 -","- C28 H28 N6 O4 -","- C112 H112 N24 O16 -","4","0.5","SK1285","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.","Bis(<i>N</i>,<i>N</i>'-diphenylguanidinium) oxalate","Acta Crystallographica Section C","1999","55","8","1290","1292","10.1107/S010827019900493X","","","0.71073","MoKα","","0.087","0.035","","","","0.095","","","","","","1.017","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008851","29.277","0.002","8.9805","0.0008","9.8486","0.0006","90","","106.248","0.0001","90","","2486","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","6α,7β-dihydroxy-N-cyclohexyl-vouacapan-17β-amide","","- C26 H39 N O4 -","- C26 H39 N O4 -","- C104 H156 N4 O16 -","4","1","SX1054","Branco, Marcelo Cardoso; Gambardella, Maria Teresa do P.; Ruggiero, Silvana Guilardi; Maltha, Celia Regina A.; Stefani, Guglielmo Marconi; Pilo-Veloso, Dorila","<i>N</i>-Cyclohexyl-6α,7β-dihydroxyvouacapan-17β-carboxamide","Acta Crystallographica Section C","1999","55","8","1297","1299","10.1107/S0108270198017466","","","0.71073","MoKα","","0.074","0.047","","0.133","0.107","","","","1.145","1.059","1.059","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008852","7.935","0.007","8.656","0.003","9.389","0.003","90","","97.87","0.04","90","","638.8","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S,2S,5S,6S)-6-methyl-5,6-dihydroxycyclohexe-3-en-1,2-diyl diacetate","","- C11 H16 O6 -","- C11 H16 O6 -","- C22 H32 O12 -","2","1","SX1084","Silvia Russi; Leopoldo Suescun; Alvaro W. Mombrú; Helena Pardo; Raúl A. Mariezcurrena; Margarita Brovetto; Gustavo Seoane","(1<i>S</i>,2<i>S</i>,5<i>S</i>,6<i>S</i>)-5,6-Dihydroxy-6-methylcyclohex-3-en-1,2-diyl diacetate","Acta Crystallographica Section C","1999","55","8","1347","1349","10.1107/S0108270199004953","","","0.71069","MoKα","","0.06","0.047","","","","0.145","","","","","","1.041","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008853","9.556","0.003","11.007","0.003","12.713","0.004","111.67","0.02","107.02","0.02","99.25","0.02","1132.6","0.7","158","2","158","2","","","","","","","","4","P 1","P 1","1","","(1-D-1,2:5,6-di-O-isopropylidene-3-O-(diphenylphosphinoyl)-chiro-inositol","","- C24 H29 O7 P -","- C24 H29 O7 P -","- C48 H58 O14 P2 -","2","2","TA1226","Falshaw, Andrew; Gainsford, Graeme J.; Lensink, Cornelis","1-<small>D</small>-1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>O</i>-(diphenylphosphinoyl)-<i>chiro</i>-inositol, a hydrogen-bonded dimeric structure","Acta Crystallographica Section C","1999","55","8","1353","1355","10.1107/S0108270199006769","","","0.71073","MoKα","","0.097","0.068","","0.181","0.161","","","","0.998","1.044","1.044","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008854","7.927","0.003","6.159","0.002","22.47","0.01","90","","97.76","0.04","90","","1087","0.7","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1-methylimidazole-N^3^)bis(salicylato-O,O')copper(II)","","- C22 H22 Cu N4 O6 -","- C22 H22 Cu N4 O6 -","- C44 H44 Cu2 N8 O12 -","2","0.5","TA1230","Jian, Fangfang; Wang, Zuoxiang; Wei, Chen; Bai, Zhiping; You, Xiaozeng","Bis(1-methylimidazole-<i>N</i>^3^)bis(salicylato-<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1999","55","8","1228","1230","10.1107/S0108270199002590","","","0.71073","MoKα","","0.055","0.041","","0.107","0.101","","","","1.054","1.143","1.143","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008855","13.731","0.0006","9.1357","0.0005","10.8227","0.0005","90","","98.852","0.004","90","","1341.45","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-bis(N-methylene-2-pyrrolidone)glycine","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C48 H76 N12 O16 -","4","1","TA1237","Xiang-Jun Zheng; Zhe-Ming Wang; Yan-Qia Wang; Lin-Pei Jin; Jian-Quan Guo; Chun-Hua Yan","<i>N</i>,<i>N</i>-Bis(2-oxopyrrolidin-1-ylmethyl)glycine","Acta Crystallographica Section C","1999","55","8","1333","1335","10.1107/S0108270199005259","","","0.71073","MoKα","","0.0784","0.0445","","","","0.1193","","","","","","1.044","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008856","9.06","0.005","11.4157","0.0012","14.058","0.004","90","0.02","92.29","0.03","90","0.02","1452.8","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(hexamethylphosphoramide)tetrachlorodigallium(II)","","- C12 H36 Cl4 Ga2 N6 O2 P2 -","- C12 H36 Cl4 Ga2 N6 O2 P2 -","- C24 H72 Cl8 Ga4 N12 O4 P4 -","2","0.5","TA1238","Rickard, Clifton E. F.; Taylor, Michael J.; Kilner, Melvin","Tetrachlorobis(hexamethylphosphoramide-<i>O</i>)digallium(II)(<i>Ga</i>—<i>Ga</i>)","Acta Crystallographica Section C","1999","55","8","1215","1216","10.1107/S0108270199005843","","","0.71069","MoKα","","0.142","0.05","","","","0.117","","","","","","0.961","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008857","11.0912","0.0004","11.0912","0.0004","4.4414","0.0004","90","","90","","90","","546.36","0.06","293","2","293","2","","","","","","","","5","I -4","I -4","82","","Zinc Mercury Thiocyanate","","- C4 Hg N4 S4 Zn -","- C4 Hg N4 S4 Zn -","- C8 Hg2 N8 S8 Zn2 -","2","0.25","TA1243","Xu, Dong; Yu, Wen-Tao; Wang, Xin-Qiang; Yuan, Duo-Rong; Lu, Meng-Kai; Yang, Ping; Guo, Shi-Yi; Meng, Fan-Qing; Jiang, Min-Hua","Zinc mercury thiocyanate (ZMTC)","Acta Crystallographica Section C","1999","55","8","1203","1205","10.1107/S0108270199005983","","","0.71073","MoKα","","0.034","0.033","","","","0.095","","","","","","1.115","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008858","7.8637","0.0003","16.0133","0.0005","17.9513","0.0006","90","","101.358","0.001","90","","2216.23","0.13","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(urea)hydroxo[9-(1,8-diaza-fluoren-9-ylidene)amino-1,8- diazafluorenato]zinc(II) Urea Solvate.","","- C24 H23 N9 O4 Zn -","- C24 H23 N9 O4 Zn -","- C96 H92 N36 O16 Zn4 -","4","1","TA1244","Komen, Raymond P.; Miskelly, Gordon M.; Oliver, Allen; Rickard, Clifton E. F.","Aqua[9-(1,8-diazafluoren-9-ylidene)amino-1,8-diazafluorenato]hydroxo(urea)zinc(II) urea solvate","Acta Crystallographica Section C","1999","55","8","1213","1215","10.1107/S0108270199005995","","","0.71073","MoKα","","0.073","0.058","","","","0.168","","","","","","1.054","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008859","20.999","0.001","14.397","0.0005","12.648","0.004","90","","90","","90","","3823.8","1.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-acetyltetrahydro-4-methyl-2,4-diphenyl-5H-1,5-benzodiazepine","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C192 H192 N16 O8 -","8","2","VJ1098","Laavanya, P.; Panchanatheswaran, K.; Venkatraj, M.; Jeyaraman, R.; Marshall, W.","1-Acetyl-1,2,3,4-tetrahydro-4-methyl-2,4-diphenyl-5<i>H</i>-1,5-benzodiazepine","Acta Crystallographica Section C","1999","55","8","1355","1357","10.1107/S0108270199004722","","","0.71069","MoKα","","0.0565","0.0504","","","","0.1251","","","","","","1.222","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008860","9.45","0.002","11.581","0.001","17.544","0.001","90","","90","","90","","1920","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,SR)-2-[1-(tert-Butoxycarbonyl)-pyrrolidinyl]-p-tolylsulfinylmethyl ketone","","- C18 H25 N O4 S -","- C18 H25 N O4 S -","- C72 H100 N4 O16 S4 -","4","1","BK1464","Rubén A.Toscano; Alejandra Carrasco; Benjamín Ortiz; Rubén Sánchez-Obregón; Fernando Walle; Francisco Yuste","(2<i>S</i>,S<i>R</i>)-<i>tert</i>-Butyl 2-(<i>p</i>-tolylsulfinylacetyl)pyrrolidine-1-carboxylate","Acta Crystallographica Section C","1999","55","9","1605","1607","10.1107/S0108270199006253","","","0.71073","MoKα","","0.0897","0.0517","","","","0.1353","","","","","","1.013","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008861","6.507","0.005","9.64","0.003","26.376","0.003","90","","91.51","0.03","90","","1653.9","1.4","170","1","170","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(N-Maleoylmethioninate) trimethyl tin","(N-Maleoylmethioninate) trimethyl tin","","- C12 H19 N O4 S Sn -","- C12 H19 N O4 S Sn -","- C48 H76 N4 O16 S4 Sn4 -","4","1","BK1466","Parvez, Masood; Ali, Saqib; Mazhar, Muhammad; Bhatti, M. Hussain; Choudhary, M. Aziz","(<i>N</i>-Maleoylmethioninato)trimethyltin(IV)","Acta Crystallographica Section C","1999","55","9","1429","1431","10.1107/S0108270199007180","","","0.71069","MoKα","","0.091","0.059","","","","0.159","","","","","","1.224","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008862","7.726","0.002","9.818","0.002","13.169","0.002","99","0.01","106.57","0.02","91.54","0.02","942.9","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","di[1-dimethylamino-8-dimethylammonionaphthalene][naphthalene-1,5-dicarboxylic acid-4,8-dicarboxylate] dihydrate","","","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","- C42 H48 N4 O10 -","1","0.5","BK1470","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Hydrogen bonding and C—H···O interactions in bis(8-dimethylamino-1-dimethylammonionaphthalene) [(DMANH^+^)~2~] 4,8-dicarboxynaphthalene-1,5-dicarboxylate dihydrate","Acta Crystallographica Section C","1999","55","9","1556","1559","10.1107/S0108270199006289","","","0.71073","MoKα","","","0.038","","","","0.067","","","","","","1.86","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008863","9.3101","0.0008","12.484","0.0011","14.7622","0.0014","89.988","0.002","89.819","0.002","73.151","0.002","1642.1","0.3","143","2","143","2","","","","","","","","4","P -1","-P 1","2","4-(Triphenylmethyl)phenol-Triphenylphosphine Oxide(1/1)","1:1 Complex of 4-(Triphenylmethyl)phenol and Triphenylphosphine Oxide","","- C43 H35 O2 P -","- C43 H35 O2 P -","- C86 H70 O4 P2 -","2","1","BK1472","Ram K. R. Jetti; Weiss, Hans-Christoph; Venkat R. Thalladi; Boese, Roland; Ashwini Nangia; Gautam R. Desiraju","4-(Triphenylmethyl)phenol–triphenylphosphine oxide (1/1)","Acta Crystallographica Section C","1999","55","9","1530","1533","10.1107/S0108270199006290","","","0.71073","MoKα","","0.091","0.064","","","","0.167","","","","","","1.086","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008864","9.435","0.006","12.605","0.004","9.481","0.005","90","","99.82","0.05","90","","1111","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[Tetra(mu-cyano)-tris(ammonium)-dicuprate(I)-cupper(II)]~\ιnfty~","","- C4 H9 Cu3 N7 -","- C4 H9 Cu3 N7 -","- C16 H36 Cu12 N28 -","4","1","BM1284","Viktor Vrábel; Ján Garaj; Július Sivý; Drahomír Oktavec","Polymeric triamminetetrakis(μ-cyano)dicuprate(I)copper(II)","Acta Crystallographica Section C","1999","55","9","1381","1383","10.1107/S0108270199007477","","","0.71069","MoKα","","0.111","0.048","","0.096","0.085","","","","0.905","1.144","1.144","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008865","10.182","0.004","9.707","0.005","23.455","0.008","90","","101.48","0.03","90","","2271.8","1.7","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","di-μ-methacrylato-O:O'-bis[(1,10-phenanthroline-N,N')bis(methacrylato-O,O') ytterbium(III)]","","- C48 H46 N4 O12 Yb2 -","- C48 H46 N4 O12 Yb2 -","- C96 H92 N8 O24 Yb4 -","2","0.5","BM1303","Lu, Weimin; Luo, Xiaoyang; Wu, Bin; Jianxin Mao; Jiang, Xiaoyuan","A dihomonuclear complex: di-μ-methacrylato-<i>O</i>:<i>O</i>'-bis[(1,10-phenanthroline-<i>N</i>,<i>N</i>')bis(methacrylato-<i>O</i>,<i>O</i>')ytterbium(III)]","Acta Crystallographica Section C","1999","55","9","1472","1475","10.1107/S0108270199006915","","","0.71069","MoKα","","","0.034","","","","0.043","","","","","","1.54","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008866","23.727","0.003","5.837","0.0005","14.377","0.002","90","","98.337","0.01","90","","1970.1","0.4","293","1","293","1","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","Bis[μ-{bis(ethanethiolato)-S,N,μ-S'-(ethanethiol)}amine]dinickel(II)","","- C12 H26 N2 Ni2 S6 -","- C12 H26 N2 Ni2 S6 -","- C48 H104 N8 Ni8 S24 -","4","0.5","BM1327","Davies, Sian C.; Evans, David J.; Hughes, David L.; Longhurst, Steven","Bis[μ-2,2',2''-nitrilotriethanethiolato(2 ‒)-<i>N</i>,<i>S</i>,<i>S</i>':<i>S</i>']dinickel(II)","Acta Crystallographica Section C","1999","55","9","1436","1438","10.1107/S010827019900760X","","","0.71069","MoKα","","0.104","0.044","","","","0.097","","","","","","0.963","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008867","7.847","0.003","8.594","0.003","9.867","0.003","115.612","0.014","98.079","0.015","104.033","0.016","558.8","0.4","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","1,4,7,10-Tetraoxacyclododecane–acetone thiosemicarbazone (1/2)","","- C16 H34 N6 O4 S2 -","- C16 H34 N6 O4 S2 -","- C16 H34 N6 O4 S2 -","1","0.5","BM1332","Moers, Oliver; Wijaya, Karna; Jones, Peter G.; Blaschette, Armand","1,4,7,10-Tetraoxacyclododecane–acetone thiosemicarbazone (1/2)","Acta Crystallographica Section C","1999","55","9","1542","1545","10.1107/S0108270199006381","","","0.71073","MoKα","","0.041","0.036","","","","0.093","","","","","","1.059","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008868","8.9427","0.0012","9.419","0.0013","11.9415","0.0012","95.977","0.002","106.464","0.003","107.763","0.002","898.4","0.2","295","","","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H16 Cl2 Cu Hg N2 O2 -","- C17 H16 Cl2 Cu Hg N2 O2 -","- C34 H32 Cl4 Cu2 Hg2 N4 O4 -","2","1","BM1333","Atakol, Orhan; Arıcı, Cengiz; Tahir, M. Nawaz; Kenar, Adnan; Ülkü, Dinçer","{[μ-<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}dichloromercury(II)","Acta Crystallographica Section C","1999","55","9","1416","1418","10.1107/S0108270199007076","","","0.71073","MoKα","","","0.019","","","","0.025","","","","","","0.94","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008869","5.152","0.0005","10.472","0.0011","6.3709","0.0007","90","","105.659","0.002","90","","330.96","0.06","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,2'-Bi-2-imidazoline","","- C6 H10 N4 -","- C6 H10 N4 -","- C12 H20 N8 -","2","0.5","BM1338","Brennan, Conor J.; McKee, Vickie","2,2'-Bi-2-imidazoline","Acta Crystallographica Section C","1999","55","9","1492","1494","10.1107/S010827019900654X","","","0.71073","MoKα","","0.0399","0.037","","","","0.0979","","","","","","1.082","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008870","22.3117","0.0014","8.2925","0.0006","16.1711","0.0018","90","","122.532","0.006","90","","2522.5","0.4","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,4,7,10,13,16,21,24-Octaazabicyclo[8.8.8]hexacosa-4,6,13,15,21,23-hexaene pentahydrate","","- C18 H40 N8 O5 -","- C18 H40 N8 O5 -","- C72 H160 N32 O20 -","4","1","BM1339","McKee, Vickie; Nelson, Jane","1,4,7,10,13,16,21,24-Octaazabicyclo[8.8.8]hexacosa-4,6,13,15,21,23-hexaene pentahydrate","Acta Crystallographica Section C","1999","55","9","1494","1496","10.1107/S010827019900671X","","","0.71073","MoKα","","0.036","0.029","","","","0.068","","","","","","1.052","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008871","15.8043","0.0016","12.8885","0.0012","11.4501","0.0011","90","","132.195","0.002","90","","1727.9","0.3","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N^1^,N^2^ - Di(phenyl)benzamidine nitrate","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","0.5","BM1345","Barker, James; Errington, William; Wallbridge, Malcolm G. H.","<i>N</i>,<i>N</i>'-Diphenylbenzamidinium nitrate","Acta Crystallographica Section C","1999","55","9","1583","1585","10.1107/S0108270199007672","","","0.71073","MoKα","","0.0723","0.0457","","","","0.1188","","","","","","1.002","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008872","14.045","0.003","12.932","0.003","17.099","0.003","90","","101.08","0.03","90","","3047.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ammonium magnesium paradodecatungstate dodehydrate","","- H66 Mg4 N2 O70 W12 -","- Mg4 N2 O70 W12 -","- Mg8 N4 O140 W24 -","2","0.5","BR1227","Li, Jing; Wang, Ru-Ji; Torardi, Charlie C.","(NH~4~)~2~[Mg~4~(H~2~O)~18~(H~2~W~12~O~42~)]^.^10H~2~O, a new compound containing chains formed by magnesium and paradodecahedral tungstate ions","Acta Crystallographica Section C","1999","55","9","1388","1391","10.1107/S0108270199006265","","","0.71073","MoKα","","0.1255","0.0716","","","","0.1125","","","","","","1.165","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008873","5.6665","0.0002","5.6665","0.0002","34.2196","0.0017","90","","90","","120","","951.56","0.07","293","","293","","","","","","","","","5","R -3 m :H","-R 3 2""","166","K^+^ /b""-aluminogallate","","","- Al8.58 Ga1.75 K1.67 Mg0.67 O17 -","- Al8.58105 Ga1.75235 K1.68 Mg0.2222 O17 -","- Al25.7432 Ga5.25705 K5.04 Mg0.6666 O51 -","3","0.0833333","BR1232","Edström, Kristina","Potassium β''-aluminogallate","Acta Crystallographica Section C","1999","55","9","1384","1388","10.1107/S0108270199007799","","","0.71073","MoKα","","0.036","0.018","","0.062","","0.062","","","1.81","","","1.81","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008874","10.221","0.003","9.275","0.003","7.024","0.002","90","","106.87","0.02","90","","637.2","0.3","299","2","299","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Co0.7 Fe0.3 Mo O4 -","- Co0.695 Fe0.305 Mo O4 -","- Co5.56 Fe2.44 Mo8 O32 -","8","1","BR1241","Ehrenberg, Helmut; Svoboda, Ingrid; Wiesmann, Marc; Weitzel, Hans","A mixed transition metal molybdate, β-(Co~0.7~Fe~0.3~)MoO~4~","Acta Crystallographica Section C","1999","55","9","1383","1384","10.1107/S0108270199007805","","","0.71093","MoKα","","0.062","0.037","","0.095","0.087","","","","1.135","1.205","1.205","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008875","10.422","0.006","10.422","0.006","101.433","0.007","90","","90","","120","","9541","8","298.2","","298.2","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","[Co{α-Me‒sal~2~‒(S,S)‒bn}(py)~2~}]BF~4~, 1.5-water","","- C30 H35 B Co F4 N4 O3.5 -","- C30 H34.49 B Co F4 N4 O3.245 -","- C360 H413.88 B12 Co12 F48 N48 O38.94 -","12","1","CF1272","Shoichi Sato; Takashi Fukuda; Kazuaki Ishii; Yoshiharu Nakano; Yuki Fujii","Polymorphs of [(2<i>S</i>,3<i>S</i>)-α-Me-<i>N</i>,<i>N</i>'-bis(salicylidene)butane-2,3-diaminato]bis(pyridine)cobalt(III) tetrafluoroborate hydrate","Acta Crystallographica Section C","1999","55","9","1466","1470","10.1107/S0108270199006812","","","1.5418","CuKα","","","0.0541","","","","0.0585","","","","","","1.892","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2008876","10.305","0.002","18.047","0.003","50.764","0.002","90","","92.463","0.009","90","","9432","2","298.2","","","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C30 H35.4 B Co F4 N4 O3.7 -","- C30 H32 B Co F3.91667 N4 O3.48333 -","- C360 H384 B12 Co12 F47 N48 O41.8 -","12","3","CF1272","Shoichi Sato; Takashi Fukuda; Kazuaki Ishii; Yoshiharu Nakano; Yuki Fujii","Polymorphs of [(2<i>S</i>,3<i>S</i>)-α-Me-<i>N</i>,<i>N</i>'-bis(salicylidene)butane-2,3-diaminato]bis(pyridine)cobalt(III) tetrafluoroborate hydrate","Acta Crystallographica Section C","1999","55","9","1466","1470","10.1107/S0108270199006812","","","0.7107","MoKα","","","0.0561","","","","0.0686","","","","","","2.99","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008877","11.135","0.002","11.135","0.002","4.376","0.001","90","","90","","90","","542.57","0.19","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C4 Cd N4 S4 Zn -","- C4 Cd N4 S4 Zn -","- C8 Cd2 N8 S8 Zn2 -","2","0.25","CF1297","Tian, Yu-Peng; Yu, Wen-Tao; Fang, Qi; Wang, Xin-Qiang; Yuan, Duo-Rong; Xu, Dong; Jiang, Min-Hua","Zinc cadmium thiocyanate (ZCTC)","Acta Crystallographica Section C","1999","55","9","1393","1395","10.1107/S0108270199007623","","","0.71073","MoKα","","0.029","0.028","","0.094","0.093","","","","1.264","1.275","1.275","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008878","6.231","0.003","7.935","0.004","11.667","0.006","90","","92.09","0.03","90","","576.5","0.5","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-hydroxypyridine-2-thione","1-Hydroxypyridine-2(1H)-thione","","- C5 H5 N O S -","- C5 H5 N O S -","- C20 H20 N4 O4 S4 -","4","1","CF1307","Bond, Andrew; Jones, William","1-Hydroxy-2(1<i>H</i>)-pyridinethione","Acta Crystallographica Section C","1999","55","9","1536","1538","10.1107/S0108270199006824","","","0.71073","MoKα","","0.0594","0.0311","","","","0.0856","","","","","","1.016","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008879","29.7207","0.0013","7.7934","0.0003","17.2154","0.0007","90","","102.392","0.001","90","","3894.6","0.3","188","2","188","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H34 Cl2 N4 O2 Pd -","- C14 H34 Cl2 N4 O2 Pd -","- C112 H272 Cl16 N32 O16 Pd8 -","8","1","CF1310","Hubin, Timothy J.; Alcock, Nathaniel W.; Busch, Daryle H.","The square-pyramidal Pd^II^ complex of a cross-bridged tetraazamacrocycle","Acta Crystallographica Section C","1999","55","9","1404","1406","10.1107/S0108270199007817","","","0.71073","MoKα","","0.066","0.0382","","0.0888","","0.0819","","","0.945","","","1.058","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2008880","25.3","0.005","7.366","0.002","14.609","0.003","90","","113.62","0.03","90","","2494.4","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Hydroxy-1-oxo-2H-phthalazine-6,7-dicarboxylate bis-hydrazinium","","- C10 H14 N6 O6 -","- C10 H14 N6 O6 -","- C80 H112 N48 O48 -","8","1","CF1312","Benniston, Andrew C.; Yufit, D. S.; Howard, Judith A. K.","Bis(hydrazinium) 4-hydroxy-1-oxo-2<i>H</i>-phthalazine-6,7-dicarboxylate","Acta Crystallographica Section C","1999","55","9","1535","1536","10.1107/S0108270199007635","","","0.71073","MoKα","","0.077","0.044","","","","0.107","","","","","","1.035","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008881","13.332","0.001","6.0756","0.0005","8.3258","0.0006","90","","90","","90","","674.39","0.09","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H Na O7 Se2 Zn2 -","- H Na O7 Se2 Zn2 -","- H4 Na4 O28 Se8 Zn8 -","4","0.5","CF1315","Harrison, William T. A.; Phillips, Mark L. F.","Sodium zinc hydroxide selenite, NaZn~2~(OH)(SeO~3~)~2~","Acta Crystallographica Section C","1999","55","9","1398","1399","10.1107/S010827019900637X","","","0.71073","MoKα","","","0.029","","","","0.032","","","","","","1.09","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008882","12.1621","0.0009","14.7472","0.0009","20.8082","0.0009","90","","103.451","0.002","90","","3629.7","0.4","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","iodo(6-chloropyridin-2-yl)bis(triphenylphosphine)palladium(II)","","","- C41 H33 Cl I N P2 Pd -","- C41 H33 Cl I N P2 Pd -","- C164 H132 Cl4 I4 N4 P8 Pd4 -","4","1","CF1319","Cave, Gareth W. V.; Errington, William; Rourke, Jonathan P.","(6-Chloropyridin-2-yl)iodobis(triphenylphosphine)palladium(II)","Acta Crystallographica Section C","1999","55","9","1461","1463","10.1107/S0108270199007866","","","0.71073","MoKα","","0.098","0.053","","","","0.139","","","","","","1.001","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008883","8.9031","0.0004","15.7897","0.0006","20.0697","0.0007","90","","99.569","0.004","90","","2782.09","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di(1-hydro-1,10-Phenanthrolinium) iodinium-dichlorido diiodine-chloride","","- C24 H18 Cl3 I3 N4 -","- C24 H18 Cl3 I3 N4 -","- C96 H72 Cl12 I12 N16 -","4","1","DA1070","Wang, Yan-Qia; Wang, Zhe-Ming; Liao, Chun-Sheng; Yan, Chun-Hua","Bis(1,10-phenanthrolin-1-ium) chlorodiiodide(1 –) dichloroiodide(1 –)","Acta Crystallographica Section C","1999","55","9","1503","1506","10.1107/S0108270199007684","","","0.71073","MoKα","","0.0509","0.0332","","","","0.0745","","","","","","1.084","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008884","22.8378","0.0014","12.0426","0.0005","9.5835","0.0004","90","","107.358","0.004","90","","2515.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-tris(m-cyanobenzoxylate erbium) dihydrate","","- C24 H15 Er N3 O8 -","- C24 H15 Er N3 O8 -","- C96 H60 Er4 N12 O32 -","4","0.5","DA1072","Ma, Bao-Qing; Gao, Song; Wang, Zhe-Ming; Yi, Tao; Yan, Chun-Hua; Xu, Guang-Xian","<i>catena</i>-Poly[[diaqua(3-cyanobenzoato-<i>O</i>,<i>O</i>')erbium]-bis-μ-(3-cyanobenzoato-<i>O</i>:<i>O</i>')]","Acta Crystallographica Section C","1999","55","9","1420","1422","10.1107/S0108270199007696","","","0.71073","MoKα","","0.027","0.02","","","","0.047","","","","","","1.078","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008885","10.82","0.02","9.98","0.02","43.13","0.07","90","","90","","90","","4657","15","100","","","","","","","","","","","6","P 21 c a","P -2ac 21","","D-BCCD","Deuterated Betaine Calcium Chloride Dihydrate","","- C5 Ca Cl2 D15 N O4 -","- C5 Ca Cl2 D15 N O4 -","- C80 Ca16 Cl32 D240 N16 O64 -","16","4","FG1472","Hernandez, Olivier; Kiat, Jean-Michel; Cousson, Alain; Paulus, Werner; Ezpeleta, Jose Maria; Zuniga, Francisco Javier","Commensurately modulated 1/4 and 1/5 phases of deuterated betaine calcium chloride dihydrate: a neutron structural study","Acta Crystallographica Section C","1999","55","9","1463","1466","10.1107/S0108270198017508","","neutron","1.528","Neutron","","","0.084","","","0.088","","","","","1.16","1.16","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008886","10.82","0.03","9.98","0.02","53.93","0.02","90","","90","","90","","5824","2","68","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","D-BCCD","Deuterated Betaine Calcium Chloride Dihydrate","","- C5 Ca Cl2 D15 N O4 -","- C5 Ca Cl2 D15 N O4 -","- C100 Ca20 Cl40 D300 N20 O80 -","20","5","FG1472","Hernandez, Olivier; Kiat, Jean-Michel; Cousson, Alain; Paulus, Werner; Ezpeleta, Jose Maria; Zuniga, Francisco Javier","Commensurately modulated 1/4 and 1/5 phases of deuterated betaine calcium chloride dihydrate: a neutron structural study","Acta Crystallographica Section C","1999","55","9","1463","1466","10.1107/S0108270198017508","","neutron","1.528","Neutron","","","0.123","","","0.154","","","","","1.03","1.03","","","","","has coordinates","189897","2020-10-21","18:00:00",""
"2008887","14.485","0.002","10.804","0.002","19.567","0.003","90","","103.28","0.01","90","","2980.3","0.8","290","2","17","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis–(2,2'–bipyridine)–bis–μ-maleato–diaqua–dizinc Dihydrate","","- C28 H28 N4 O12 Zn2 -","- C28 H28 N4 O12 Zn2 -","- C112 H112 N16 O48 Zn8 -","4","0.5","FG1534","Zhang, Cungen; Yu, Kaibei; Wu, Dan; Zhao, Chengxue","A maleate-bridged dinuclear bipyridine-containing zinc(II) complex","Acta Crystallographica Section C","1999","55","9","1470","1472","10.1107/S0108270199006848","","","0.71073","MoKα","","0.0343","0.0245","","0.0613","","0.0586","","","0.972","","","1.057","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008888","10.2264","0.0002","10.3606","0.0001","18.0965","0.0003","87.36","0.001","81.604","0.001","74.839","0.001","1830.72","0.05","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","cis-Bis(cyanomethyl)bis(triphenylphosphine)platinum(II) 0.6 dichloromethane solvate","","- C40.5 H35 Cl N2 P2 Pt -","- C40 H34 N2 P2 Pt -","- C80 H68 N4 P4 Pt2 -","2","1","FG1536","Henderson, William; Oliver, Allen G.","<i>cis</i>-Bis(cyanomethyl)bis(triphenylphosphine)platinum(II)‒dichloromethane (1/0.6)","Acta Crystallographica Section C","1999","55","9","1406","1408","10.1107/S0108270199007490","","","0.71073","MoKα","","0.062","0.047","","","","0.113","","","","","","0.968","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008889","8.866","","12.9431","0.0002","13.9107","0.0002","103.112","0.001","102.296","0.001","93.03","","1510.41","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","N,N'–bis–(2–tosylaminobenzylidene)–1,3–propanediamine","","- C31 H32 N4 O4 S2 -","- C31 H32 N4 O4 S2 -","- C62 H64 N8 O8 S4 -","2","1","FG1538","Mahía, José; Maestro, Miguel A.; Vázquez, Miguel; Bermejo, Manuel R.; Sanmartín, Jesús; Maneiro, Marcelino","<i>N</i>,<i>N</i>'-Bis(2-tosylaminobenzylidene)-1,3-propanediamine","Acta Crystallographica Section C","1999","55","9","1545","1547","10.1107/S010827019900685X","","","0.71073","MoKα","","0.0756","0.0493","","0.1535","0.1341","","","","1.017","1.088","1.088","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008890","7.363","0.001","11.299","0.001","23.502","0.003","90","","90","","90","","1955.2","0.4","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(+)-ketopinic acid","(+)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid","","- C10 H14 O3 -","- C10 H14 O3 -","- C80 H112 O24 -","8","2","FG1548","Lalancette, Roger A.; Coté, Marie L.; Smith III, William J.; Thompson, Hugh W.; Vanderhoff, Peggy A.; Brunskill, Andrew P. J.; Campana, Charles; Burshtein, Izya; Rose, John P.; (+)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid","(+)- and (±)-ketopinic acid: hydrogen-bonding patterns in a β-keto acid in its enantiomeric and racemic forms and enantiomeric disordering in the racemate","Acta Crystallographica Section C","1999","55","9","1600","1605","10.1107/S0108270199007428","","","0.71073","MoKα","","0.116","0.06","","","","0.13","","","","","","1.04","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008891","7.0947","0.0003","11.8316","0.0006","12.1662","0.0006","72.013","0.001","77.019","0.001","86.546","0.001","946.47","0.08","123","2","123","2","","","","","","","","3","P -1","-P 1","2","(+/-)-ketopinic acid","(+/-)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","2","FG1548","Lalancette, Roger A.; Coté, Marie L.; Smith III, William J.; Thompson, Hugh W.; Vanderhoff, Peggy A.; Brunskill, Andrew P. J.; Campana, Charles; Burshtein, Izya; Rose, John P.","(+)- and (±)-ketopinic acid: hydrogen-bonding patterns in a β-keto acid in its enantiomeric and racemic forms and enantiomeric disordering in the racemate","Acta Crystallographica Section C","1999","55","9","1600","1605","10.1107/S0108270199007428","","","0.71073","MoKα","","0.056","0.05","","","","0.137","","","","","","1.07","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008892","9.443","0.002","20.758","0.004","23.478","0.005","90","","90","","90","","4602.1","1.6","162","2","162","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(dicyclohexylammonium) (nitrilotriacetato)tributylstannate","","- C42 H81 N3 O6 Sn -","- C42 H81 N3 O6 Sn -","- C168 H324 N12 O24 Sn4 -","4","1","FG1549","Ng, Seik Weng","Bis(dicyclohexylammonium) tributyl(nitrilotriacetato)stannate","Acta Crystallographica Section C","1999","55","9","1447","1449","10.1107/S0108270199007295","","","0.71073","MoKα","","0.063","0.044","","","","0.1","","","","","","0.942","","","","has coordinates,has disorder","189898","2020-10-21","18:00:00",""
"2008893","10.574","0.003","16.812","0.002","12.882","0.002","90","","102.15","0.02","90","","2238.7","0.8","170","1","170","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Tri-n-Butyltin N-maleoyl-β-alaninate","Tri-n-butyltin N-maleoyl-β-alaninate","","- C19 H33 N O4 Sn -","- C19 H33 N O4 Sn -","- C76 H132 N4 O16 Sn4 -","4","1","FG1551","Parvez, Masood; Ali, Saqib; Bhatti, Moazzam Hussain; Khokhar, Muhammad Nawaz; Mazhar, Muhammad; Qureshi, Sajid Iqbal","Tri-<i>n</i>-butyl(<i>N</i>-maleoyl-β-alaninato)tin","Acta Crystallographica Section C","1999","55","9","1427","1429","10.1107/S010827019900743X","","","0.71069","MoKα","","0.107","0.039","","","","0.141","","","","","","1.02","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008894","7.1458","0.0008","9.769","0.0012","11.886","0.002","110.784","0.01","96.074","0.011","101.302","0.01","746.65","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,2,3,4,5,6,7,8-octahydro-3,3,6,6-tetramethylxanthen-1,8-dione","","- C17 H22 O3 -","- C17 H22 O3 -","- C34 H44 O6 -","2","1","FR1174","Jeyakanthan, J.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Hoong-Kun Fun; Murugan, P.","Two tetramethylxanthenediones","Acta Crystallographica Section C","1999","55","9","1515","1517","10.1107/S0108270199006393","","","0.71073","MoKα","","0.066","0.044","","0.139","0.123","","","","0.994","1.131","1.131","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008895","26.581","0.002","10.094","0.001","19.624","0.002","90","","128.75","0.01","90","","4106.3","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2,3,4,5,6,7,8-octahydro-3,3,6,6-tetramethyl-9-(2-nitrophenyl)xanthen-1,8- dione","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C184 H200 N8 O40 -","8","1","FR1174","Jeyakanthan, J.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Hoong-Kun Fun; Murugan, P.","Two tetramethylxanthenediones","Acta Crystallographica Section C","1999","55","9","1515","1517","10.1107/S0108270199006393","","","0.71073","MoKα","","0.156","0.043","","0.107","0.081","","","","0.74","0.986","0.986","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008896","11.396","0.001","6.742","0.002","14.142","0.001","90","","94.58","0.01","90","","1083.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-dimethylisoguanine","","- C7 H15 N5 O4 -","- C7 H15 N5 O4 -","- C28 H60 N20 O16 -","4","1","FR1180","Gambardella, Maria Teresa do Prado; Dias, Ricardo Luis Araujo; Chehade, Claire Camargos; Berlinck, Roberto Gomes de Sousa","1,3-Dimethylisoguanine trihydrate","Acta Crystallographica Section C","1999","55","9","1585","1587","10.1107/S010827019900640X","","","1.5418","CuKα","","0.071","0.048","","","","0.161","","","","","","1.041","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008897","6.9887","0.0002","10.7123","0.0002","20.4198","0.0004","90","","90","","90","","1528.73","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2,3,4,5,6,7,8-Octahydro-3,3,6,6-tetramethylacridine-1,8-dione","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","FR1186","R. Sankaranarayanan; S. Shanmuga Sundara Raj; D. Velmurugan; Hoong-Kun Fun","1,2,3,4,5,6,7,8-Octahydro-3,3,6,6-tetramethylacridine-1,8-dione","Acta Crystallographica Section C","1999","55","9","1513","1514","10.1107/S0108270199006149","","","0.71073","MoKα","","0.078","0.051","","","","0.118","","","","","","1.094","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008898","8.843","0.003","14.085","0.005","15.638","0.005","90","","90","","90","","1947.8","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)-(2S,7R,9R,10S)-2-Ethenyl-4,4,7- trimethyl-3-(toluene-4-sulfonyl)perhydro-1,3-benzoxazine","","- C20 H29 N O3 S -","- C20 H29 N O3 S -","- C80 H116 N4 O12 S4 -","4","1","FR1189","Rochon, Fernande D.; Breau, Livain","(+)-(2<i>S</i>,7<i>R</i>,9<i>R</i>,10<i>S</i>)-2-Ethenyl-4,4,7-trimethyl-3-(toluene-4-sulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2<i>H</i>-1,3-benzoxazine","Acta Crystallographica Section C","1999","55","9","1587","1589","10.1107/S0108270199006873","","","0.71073","MoKα","","0.138","0.053","","0.099","0.081","","","","1.046","1.286","1.286","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008899","9.6467","0.0004","12.7276","0.0006","20.804","0.001","90","","90.129","0.001","90","","2554.3","0.2","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","chlorobis(η5-pentamethylcyclopentadienyl)-p- chloroanilideuranium(IV)","","- C26 H35 Cl2 N U -","- C26 H20 Cl2 N U -","- C104 H80 Cl8 N4 U4 -","4","1","FR1192","Peters, R. Gregory; Scott, Brian L.; Burns, Carol J.","Chloro(<i>p</i>-chloroanilido-<i>N</i>)bis(η^5^-pentamethylcyclopentadienyl)uranium(IV)","Acta Crystallographica Section C","1999","55","9","1482","1483","10.1107/S0108270199007143","","","0.71073","MoKα","","0.03","0.024","","","","0.064","","","","","","1.272","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008900","13.979","0.003","4.689","0.001","16.239","0.003","90","","107.279","0.004","90","","1016.4","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-di-{[m-(1,3-dioxane)benzene]}propane","","- C24 H30 O4 -","- C24 H30 O4 -","- C48 H60 O8 -","2","0.5","FR1202","Jene, Paul G.; Ibers, James A.","Bis(1,3-dioxan-2-yl)arenes: precursors to linked porphyrins","Acta Crystallographica Section C","1999","55","9","1593","1595","10.1107/S010827019900788X","","","0.71073","MoKα","","0.1","0.04","","","","0.09","","","","","","0.81","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008901","26.064","0.005","8.696","0.002","11.943","0.002","90","","103.604","0.004","90","","2631","0.9","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,2-di-(1,3 dioxane)benzene","","- C14 H18 O4 -","- C14 H18 O4 -","- C112 H144 O32 -","8","1","FR1202","Jene, Paul G.; Ibers, James A.","Bis(1,3-dioxan-2-yl)arenes: precursors to linked porphyrins","Acta Crystallographica Section C","1999","55","9","1593","1595","10.1107/S010827019900788X","","","0.71073","MoKα","","0.137","0.041","","","","0.077","","","","","","0.723","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008902","14.898","0.001","9.19","0.002","15.525","0.002","90","","90","","90","","2125.6","0.6","296","","296","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C22 H26 O6 -","- C22 H25.998 O6 -","- C88 H103.992 O24 -","4","0.5","FR1207","Dobson, Allison J.; Gerkin, Roger E.","C—H···O interactions in dimethyl 6,6'-dimethoxy-3,3',5,5'-tetramethylbiphenyl-2,2'-dicarboxylate","Acta Crystallographica Section C","1999","55","9","1496","1499","10.1107/S0108270199007891","","","0.71073","MoKα","","","0.055","","","","0.074","","","","","","1.35","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008903","7.74","0.001","7.948","0.002","9.984","0.001","84.25","0.01","77.38","0.01","61.02","0.01","524.3","0.17","296","","296","","","","","","","","","5","P -1","-P 1","2","quinolinium-4-carboxylic acid chloride monohydrate","","","- C10 H10 Cl N O3 -","- C10 H10 Cl N O3 -","- C20 H20 Cl2 N2 O6 -","2","1","FR1208","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding and C—H···<i>X</i> interactions in two triclinic phases of 4-carboxyquinolinium chloride monohydrate","Acta Crystallographica Section C","1999","55","9","1499","1503","10.1107/S0108270199006885","","","0.71073","MoKα","","","0.039","","","","0.096","","","","","","1.93","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008904","4.2969","0.0006","10.785","0.002","11.36","0.001","85","0.01","82.99","0.01","89.48","0.01","520.52","0.13","296","","296","","","","","","","","","5","P -1","-P 1","2","quinolinium-4-carboxylic acid chloride monohydrate","","","- C10 H10 Cl N O3 -","- C10 H10 Cl N O3 -","- C20 H20 Cl2 N2 O6 -","2","1","FR1208","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding and C—H···<i>X</i> interactions in two triclinic phases of 4-carboxyquinolinium chloride monohydrate","Acta Crystallographica Section C","1999","55","9","1499","1503","10.1107/S0108270199006885","","","0.71073","MoKα","","","0.04","","","","0.09","","","","","","1.95","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008905","15.689","0.006","11.025","0.006","17.641","0.009","90","","113.69","0.07","90","","2794","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","hexachlorotetra(tetrahydrofuran)(μ-oxo)dizirconium","","- C16 H32 Cl6 O5 Zr2 -","- C16 H32 Cl6 O5 Zr2 -","- C64 H128 Cl24 O20 Zr8 -","4","0.5","GD1009","Guan, Jingwen; Siebel, Eric; Fischer, R. Dieter","μ-Oxo-bis[<i>mer</i>-trichlorobis(tetrahydrofuran-<i>O</i>)zirconium(IV)]","Acta Crystallographica Section C","1999","55","9","1449","1451","10.1107/S0108270199007532","","","0.71073","MoKα","","0.0504","0.0436","","0.1159","0.1104","","","","1.241","1.273","1.273","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008906","12.6512","0.001","8.708","0.0006","17.0124","0.0012","90","","106.314","0.006","90","","1798.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ammonium di-aquo ethylenediaminetetraacetate scandiumate trihydrate.","","- C10 H26 N3 O13 Sc -","- C10 H26 N3 O13 Sc -","- C40 H104 N12 O52 Sc4 -","4","1","GD1032","Zhang, Ya-Wen; Wang, Zhe-Ming; Jia, Jiang-Tao; Liao, Chun-Sheng; Yan, Chun-Hua","Ammonium diaqua(ethylenediaminetetraacetato)scandium(III) trihydrate","Acta Crystallographica Section C","1999","55","9","1418","1420","10.1107/S0108270199008057","","","0.71073","MoKα","","0.055","0.045","","","","0.152","","","","","","1.085","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008907","6.293","0.003","10.255","0.002","22.172","0.005","90","","96.17","0.03","90","","1422.6","0.8","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","Cholest-5-enyl-3β,4β-diacetate","Cholest-5-ene-3β,4β-diyl diacetate","","- C31 H50 O4 -","- C31 H50 O4 -","- C62 H100 O8 -","2","1","GD1035","Kennedy, Alan R.; Pitt, Andrew R.; Suckling, Colin J.; Suckling, Keith E.; Thomas, Michael","Cholest-5-ene-3β,4β-diyl diacetate","Acta Crystallographica Section C","1999","55","9","1570","1572","10.1107/S0108270199006770","","","0.71069","MoKα","","0.092","0.057","","","","0.147","","","","","","1.052","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008908","5.9096","0.0011","9.9845","0.0017","14.394","0.003","95.053","0.017","93.762","0.019","99.544","0.017","831.5","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","[(Cu2Cl3)](H2bpds)(BF4)","Hexachlorodicuprate(II) Bis[bis(4-pyridinium)disulfide] Bis(tetrafluoroborate)","","- C20 H20 B2 Cl6 Cu2 F8 N4 S4 -","- C20 H20 B2 Cl6 Cu2 F8 N4 S4 -","- C20 H20 B2 Cl6 Cu2 F8 N4 S4 -","1","0.5","GD1036","Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Nicolson, James E.B.","Bis(4,4'-disulfanediyldipyridinium) di-μ-chloro-bis[dichlorocuprate(II)] bis(tetrafluoroborate)","Acta Crystallographica Section C","1999","55","9","1422","1425","10.1107/S0108270199006836","","","0.71073","MoKα","","0.0681","0.0454","","","","0.0816","","","","","","1.18","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008909","9.6855","0.0011","12.775","0.003","16.053","0.006","67.29","0.03","87.64","0.017","85.75","0.017","1827.1","0.9","290","1","290","1","","","","","","","","4","P -1","-P 1","2","Dicyclohexyl-N-(3-pyridinylcarbonyl)urea","N,N`-dicyclohexyl-N-(3-pyridinylcarbonyl)urea","","- C19 H27 N3 O2 -","- C19 H27 N3 O2 -","- C76 H108 N12 O8 -","4","2","GD1039","Gallagher, John F.; Kenny, Peter T.M.; Sheehy, Michael J.","Intermolecular N—H···N and C—H···O interactions from one-dimensional chains comprising the two independent molecues of <i>N</i>,<i>N</i>'-dicyclohexyl-<i>N</i>-nicotinoylurea","Acta Crystallographica Section C","1999","55","9","1607","1610","10.1107/S0108270199007544","","","0.7107","MolybdenumKα","","0.1529","0.0467","","","","0.1107","","","","","","0.871","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008910","7.873","0.002","8.985","0.002","10.412","0.002","101.55","0.03","104.51","0.03","103.52","0.03","666.6","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1,1,3,3‒Tetramethylguanidinum tetrachloroantimonate(III)","","- C5 H14 Cl4 N3 Sb -","- C5 H14 Cl4 N3 Sb -","- C10 H28 Cl8 N6 Sb2 -","2","1","GD1040","Bujak, Maciej; Osadczuk, Przemysław; Zaleski, Jacek","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylguanidinium tetrachloroantimonate(III) at 295 and 92K","Acta Crystallographica Section C","1999","55","9","1443","1447","10.1107/S0108270199008264","","","0.71073","MoKα","","0.043","0.035","","","","0.096","","","","","","1.244","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008911","7.818","0.002","8.849","0.002","10.333","0.002","101.18","0.03","104.81","0.03","103.72","0.03","646.3","0.3","92","2","295","2","","","","","","","","5","P -1","-P 1","2","","1,1,3,3‒Tetramethylguanidinum tetrachloroantimonate(III)","","- C5 H14 Cl4 N3 Sb -","- C5 H14 Cl4 N3 Sb -","- C10 H28 Cl8 N6 Sb2 -","2","1","GD1040","Bujak, Maciej; Osadczuk, Przemysław; Zaleski, Jacek","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylguanidinium tetrachloroantimonate(III) at 295 and 92K","Acta Crystallographica Section C","1999","55","9","1443","1447","10.1107/S0108270199008264","","","0.71073","MoKα","","0.023","0.02","","","","0.052","","","","","","1.11","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008912","7.209","0.001","7.9527","0.0007","17.414","0.003","90","","90.64","0.01","90","","998.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Polyphosphate de strontium Sr(PO~3~)~2~ forme β","","- O6 P2 Sr -","- O6 P2 Sr -","- O48 P16 Sr8 -","8","2","GS1011","Graia, Mohsen; Driss, Ahmed; Jouini, Tahar","Polyphosphates de strontium Sr(PO~3~)~2~ formes β et γ","Acta Crystallographica Section C","1999","55","9","1395","1398","10.1107/S0108270199003637","","","0.71069","MoKα","","0.0553","0.0336","","0.0861","0.0696","","","","1.137","1.057","1.057","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008913","4.498","0.001","10.911","0.003","10.375","0.003","90","","91.56","0.02","90","","509","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Polyphosphate de strontium Sr(PO~3~)~2~ forme γ","","- O6 P2 Sr -","- O6 P2 Sr -","- O24 P8 Sr4 -","4","1","GS1011","Graia, Mohsen; Driss, Ahmed; Jouini, Tahar","Polyphosphates de strontium Sr(PO~3~)~2~ formes β et γ","Acta Crystallographica Section C","1999","55","9","1395","1398","10.1107/S0108270199003637","","","0.71069","MoKα","","0.0459","0.0332","","0.0982","0.0898","","","","1.13","1.148","1.148","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008914","10.713","0.003","13.569","0.004","28.27","0.009","90","","90","","90","","4109","2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H31 N O5 S -","- C19 H31 N O5 S -","- C152 H248 N8 O40 S8 -","8","2","GS1037","Marchand, Patrice; Masson, Serge; Rachinel, Denis; Saint-Clair, Jean-François; Averbuch-Pouchot, Marie-Thérèse","2-(2,3:5,6-Di-<i>O</i>-isopropylidene-β-<small>D</small>-mannofuranosyl)-<i>N</i>,<i>N</i>-(pentamethylene)ethanethioamide","Acta Crystallographica Section C","1999","55","9","1533","1534","10.1107/S0108270199006459","","","0.7107","MoKα","","0.043","0.043","","0.0416","","0.0416","","","1.829","","","1.829","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008915","8.8118","0.0004","11.606","0.0006","12.1748","0.0007","115.234","0.002","107.66","0.003","95.643","0.003","1035.11","0.1","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N4 O -","- C26 H24 N4 O -","- C52 H48 N8 O2 -","2","1","GS1040","Aatif, A.; Baouid, A.; Hasnaoui, H.; Benharref, A.; Pierrot, M.","8-Méthyl-1,3-diphényl-4,5,6,6a,7,8-hexahydrocyclopenta[<i>b</i>][1,2,4]triazolo[4,3-<i>a</i>]benzodiazépin-7-one","Acta Crystallographica Section C","1999","55","9","1528","1530","10.1107/S0108270199006897","","","0.71073","MoKα","","","0.05","","","","0.078","","","","","","1.268","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008916","10.17","0.001","12.897","0.001","9.801","0.001","90","","105.358","0.001","90","","1239.6","0.2","298","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O4 -","- C16 H10 O4 -","- C64 H40 O16 -","4","1","GS1041","Kakou-Yao, R.; Saba, A.; Ebby, N.; Pierrot, M.; Aycard, J. P.","Tautomérie de la 4-(hydroxyphénylméthylène) isochroman-1,3 dione à l'état solide","Acta Crystallographica Section C","1999","55","9","1591","1593","10.1107/S0108270199006782","","","0.71073","MoKα","","","0.042","","","","0.074","","","","","","0.994","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008917","21.031","0.003","8.201","0.0008","9.215","0.001","90","","90","","90","","1589.4","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Trichloro[(Z)-2-chloro-1,2-diphenylvinyl]tellurium(IV)","","- C14 H10 Cl4 Te -","- C14 H10 Cl4 Te -","- C56 H40 Cl16 Te4 -","4","1","GS1044","Zukerman-Schpector, J.; Camillo, Robinson L.; Comasseto, João V.; Santos, Rute A.; Caracelli, I.","Trichloro[(<i>Z</i>)-2-chloro-1,2-diphenylvinyl]tellurium(IV)","Acta Crystallographica Section C","1999","55","9","1577","1579","10.1107/S0108270199006964","","","0.71073","MoKα","","0.066","0.03","","","","0.069","","","","","","1.09","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008918","11.2868","0.0006","30.877","0.002","11.9177","0.0006","90","","92.746","0.003","90","","4148.6","0.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 La N7 O15 -","- C30 H60 La N7 O15 -","- C120 H240 La4 N28 O60 -","4","1","GS1046","Thuéry, Pierre; Nierlich, Martine; Charbonnel, Marie-Christine; Dognon, Jean-Pierre","Bis[2-(2-ethoxyethyl)-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraethylmalondiamide-<i>O</i>^1^,<i>O</i>^3^]tris(nitrato-<i>O</i>,<i>O</i>')lanthanum(III)","Acta Crystallographica Section C","1999","55","9","1434","1436","10.1107/S0108270199008215","","","0.71073","MoKα","","0.052","0.035","","0.12","","0.076","","","1.131","","","1.06","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008919","9.6477","0.0001","14.9004","0.0002","18.0803","0.0003","75.92","0.001","84.206","0.001","75.546","0.001","2439.01","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Intramolecular N-H...π(Phenyl) and Intermolecular C-H...π(Phenyl) Interaction in 5-Amino-8-cyano-2-phenyl-4(4-methoxy-phenyl-7- (piperidine-1-yl)-1,6-Naphthyridine","","- C30 H28 N5 O -","- C30 H28 N5 O -","- C120 H112 N20 O4 -","4","2","HA1253","R. Thirumurugan; S.Shanmuga Sundara Raj; G.Shanmugam; Hoong-Kun Fun; V. Raghukumar; V.T. Ramakrishnan","Intramolecular N—H···π(phenyl) and intermolecular C—H···π(phenyl) interactions in 5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidino-1,6-naphthyridine-8-carbonitrile–benzene(2/1)","Acta Crystallographica Section C","1999","55","9","1522","1524","10.1107/S0108270199005879","","","0.71073","MoKα","","0.1044","0.0658","","","","0.1833","","","","","","1.073","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008920","8.0589","0.0006","9.2783","0.0007","10.0365","0.0008","81.755","0.005","87.512","0.005","67.632","0.005","686.77","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H44 Cu F6 N8 P -","- C24 H44 Cu F6 N8 P -","- C24 H44 Cu F6 N8 P -","1","0.5","HA1257","Hubin, Timothy J.; Alcock, Nathaniel W.; Clase, Howard J.; Busch, Daryle H.","A complex containing Cu^I^ linearly coordinated by two tetracyclic tetraamines","Acta Crystallographica Section C","1999","55","9","1402","1403","10.1107/S0108270199006423","","","0.71073","MoKα","","0.052","0.04","","","0.089","0.092","","","","1","1","0.916","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008921","10.262","0.002","12.073","0.002","12.357","0.003","90","","92.47","0.03","90","","1529.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaqua-(2,2'-bipyridyl-N,N'))-cadmium(ii) sulfate","","- C10 H16 Cd N2 O8 S -","- C10 H16 Cd N2 O8 S -","- C40 H64 Cd4 N8 O32 S4 -","4","1","HA1260","Miguel Harvey; Sergio Baggio; Ricardo Baggio; Alvaro Mombrú","Tetraaqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')cadmium(II) sulfate and <i>catena</i>-poly[[[diaqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')cadmium(II)]-μ-(sulfato-<i>O</i>:<i>O</i>')] hydrate]","Acta Crystallographica Section C","1999","55","9","1457","1460","10.1107/S0108270199007982","","","0.71073","MoKα","","0.045","0.035","","0.102","","0.095","","","1.016","","","1.046","","","","has coordinates,has disorder","301791","2025-08-18","23:15:33",""
"2008922","20.998","0.004","6.823","0.001","20.001","0.004","90","","94.88","0.03","90","","2855.1","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Catena-((mu!2$-Sulfato-O,O')-diaqua-(2,2'-bipyridyl-N,N'))-cadmium(ii) monohydrate","","- C10 H14 Cd N2 O7 S -","- C10 H11.5 Cd N2 O7 S -","- C80 H92 Cd8 N16 O56 S8 -","8","2","HA1260","Miguel Harvey; Sergio Baggio; Ricardo Baggio; Alvaro Mombrú","Tetraaqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')cadmium(II) sulfate and <i>catena</i>-poly[[[diaqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')cadmium(II)]-μ-(sulfato-<i>O</i>:<i>O</i>')] hydrate]","Acta Crystallographica Section C","1999","55","9","1457","1460","10.1107/S0108270199007982","","","0.71073","MoKα","","0.094","0.047","","0.144","","0.119","","","0.974","","","1.016","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008923","10.3098","0.0013","8.4972","0.0008","11.4264","0.0013","90","","90","","90","","1001","0.19","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-chloro-1-(4,5-dinitroimidazolyl)propan-2-ol","","- C6 H7 Cl N4 O5 -","- C6 H7 Cl N4 O5 -","- C24 H28 Cl4 N16 O20 -","4","1","JZ1330","Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram","Azole. 42. Über Nitropiperidinoimidazolderivate","Acta Crystallographica Section C","1999","55","9","1562","1565","10.1107/S0108270199005880","","","1.54178","CuKα","","0.038","0.037","","","","0.108","","","1.089","","","1.094","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008924","10.763","0.001","16.052","0.002","16.634","0.002","75.87","0.01","82.88","0.01","89.91","0.01","2764.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Chloro-1-(4-nitro-5-piperidinylimidazolyl)propan-2-ol","","- C11 H17 Cl N4 O3 -","- C11 H17 Cl N4 O3 -","- C88 H136 Cl8 N32 O24 -","8","4","JZ1330","Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram","Azole. 42. Über Nitropiperidinoimidazolderivate","Acta Crystallographica Section C","1999","55","9","1562","1565","10.1107/S0108270199005880","","","1.54178","CuKα","","0.06","0.045","","","","0.147","","","1.082","","","1.173","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008925","13.327","0.003","8.672","0.002","14.382","0.003","90","","98.23","0.01","90","","1645","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 I Se -","- C18 H15 I Se -","- C72 H60 I4 Se4 -","4","1","JZ1353","Fleischer, Holger; Schollmeyer, Dieter","Triphenylselenonium iodide","Acta Crystallographica Section C","1999","55","9","1572","1573","10.1107/S0108270199008033","","","0.71073","MoKα","","0.074","0.041","","","0.093","0.105","","","","","","0.999","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008926","9.201","0.001","10.027","0.001","18.217","0.002","90","","90","","90","","1680.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-N,2-O-Carbonyl-3,5-O-isopropylidene-1-N(2'[R]-2'-methyl-3'-oxo-pentanoyl)- α-D-xylofuranosylamine'","","- C15 H21 N O7 -","- C15 H21 N O7 -","- C60 H84 N4 O28 -","4","1","JZ1359","Kopf, Jürgen; Lützen, Arne; Köll, Peter","1-<i>N</i>,2-<i>O</i>-Carbonyl-3,5-<i>O</i>-isopropylidene-1-<i>N</i>-[(2<i>R</i>)-2-methyl-3-oxopentanoyl]-α-<small>D</small>-xylofuranosylamine","Acta Crystallographica Section C","1999","55","9","1541","1542","10.1107/S0108270199007210","","","1.54178","CuKα","","0.039","0.036","","","","0.103","","","","","","1.075","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008927","19.305","0.002","5.958","0.001","23.847","0.002","90","","91.989","0.008","90","","2741.2","0.6","293.2","","293.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 Cl2 N O -","- C15 H11 Cl2 N O -","- C120 H88 Cl16 N8 O8 -","8","1","KA1319","Kabak, Mehmet; Elerman, Yalc̨in; Güner, Vildan; Yildirir, Süleyman; Durlu, Tahsin Nuri","3,3-Dichloro-1,4-diphenylazetidin-2-one","Acta Crystallographica Section C","1999","55","9","1511","1512","10.1107/S0108270199006095","","","0.7107","MoKα","","0.057","0.057","","0.057","","0.057","","","0.949","","","0.95","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008928","12.157","0.003","12.157","0.003","8.05","0.002","90","","90","","120","","1030.3","0.4","294","2","294","2","","","","","","","","3","P 32","P 32","145","isocurcumenol","3S-(3α,3aα,6α,8aβ)-Octahydro-3-methyl-8-methylene-5-(1-methylethylidene)- 6H-3a,6-epoxyazulen-6-ol","","- C15 H22 O2 -","- C15 H22 O2 -","- C45 H66 O6 -","3","1","KA1324","Jan W. Bats; Öhlinger, Stefan H.","Absolute configuration of isocurcumenol","Acta Crystallographica Section C","1999","55","9","1595","1598","10.1107/S0108270199006101","","","1.5418","CuKα","","0.028","0.027","","","","0.088","","","","","","1.546","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008929","12.0864","0.0015","12.0864","0.0015","7.9291","0.0011","90","","90","","120","","1003.1","0.2","135","2","135","2","","","","","","","","3","P 32","P 32","145","isocurcumenol","3S-(3α,3aα,6α,8aβ)-Octahydro-3-methyl-8-methylene-5-(1-methylethylidene)- 6H-3a,6-epoxyazulen-6-ol","","- C15 H22 O2 -","- C15 H22 O2 -","- C45 H66 O6 -","3","1","KA1324","Jan W. Bats; Öhlinger, Stefan H.","Absolute configuration of isocurcumenol","Acta Crystallographica Section C","1999","55","9","1595","1598","10.1107/S0108270199006101","","","0.71073","MoKα","","0.038","0.034","","","","0.095","","","","","","1.193","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008930","8.5158","0.0008","7.0115","0.0006","10.9335","0.0013","90","","97.375","0.012","90","","647.42","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","9-(2'-Deoxy-α-D-ribofuranosyl)-7-iodo-7-deazaadenine","","","- C11 H13 I N4 O3 -","- C11 H13 I N4 O3 -","- C22 H26 I2 N8 O6 -","2","1","KA1326","Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido","9-(2-Deoxy-α-<small>D</small>-ribofuranosyl)-7-iodo-7-deazaadenine","Acta Crystallographica Section C","1999","55","9","1560","1562","10.1107/S0108270199006538","","","0.71073","MoKα","","0.0232","0.0226","","","","0.0569","","","","","","1.051","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008931","24.83","0.002","9.642","0.002","9.176","0.006","90","","90","","90","","2196.8","1.5","293.2","","293.2","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H30 N2 O4 -","- C23 H30 N2 O4 -","- C92 H120 N8 O16 -","4","0.5","KA1327","Elerman, Yalçin; Kabak, Mehmet; Kara, Hülya; Güven, Kutalmıs̨; Naki̇poǧlu, Canan","3,9-Dimethyl-1,11-diphenyl-4,8-diazaundecane-1,11-dione dihydrate","Acta Crystallographica Section C","1999","55","9","1508","1511","10.1107/S0108270199007192","","","0.7107","MoKα","","0.088","0.05","","","","0.16","","","","","","0.96","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008932","9.07","0.003","10.974","0.005","12.102","0.004","64.85","0.03","71.36","0.03","76.37","0.03","1026.2","0.7","208","2","208","2","","","","","","","","6","P -1","-P 1","2","","Acetylpyridinium thiosemicarbazone)hexanitratothorate(IV)","","- C20 H38 N14 O22 S2 Th -","- C20 H38 N14 O22 S2 Th -","- C20 H38 N14 O22 S2 Th -","1","0.5","KA1328","Abram, Ulrich; Bonfada, Elida; Schulz Lang, Ernesto; Acetylpyridinium thiosemicarbazone)hexanitratothorate(IV)","Bis{2-[1-(thiosemicarbazono)ethyl]pyridinium} hexakis(nitrato-<i>O</i>,<i>O</i>')thorate(IV) tetramethanol solvate","Acta Crystallographica Section C","1999","55","9","1479","1482","10.1107/S0108270199007556","","","0.71073","MoKα","","0.0262","0.0256","","","","0.061","","","","","","1.057","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008933","7.214","0.001","18.34","0.001","10.418","0.001","90","","109.32","0.01","90","","1300.7","0.2","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Co N4 O10 -","- C26 H26 Co N4 O10 -","- C52 H52 Co2 N8 O20 -","2","0.5","KA1329","Hökelek, Tuncer; Necefoğlu, Hacali","<i>trans</i>-Diaquabis(3-hydroxybenzoato-<i>O</i>)bis(nicotinamide-<i>N</i>^1^)cobalt(II)","Acta Crystallographica Section C","1999","55","9","1438","1440","10.1107/S0108270199006733","","","0.71073","MoKα","","","0.0511","","","","0.075","","","","","","1.29","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008934","7.3785","0.0002","47.9241","0.001","5.9069","0.0002","90","","90","","90","","2088.73","0.1","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","Bis{4,4'-[di-(2-carbomethoxy-5-thienyl)]} phenyl ether","","- C24 H18 O5 S2 -","- C24 H18 O5 S2 -","- C96 H72 O20 S8 -","4","","LN1085","S.Shanmuga Sundara Raj; Hoong-Kun Fun; Susmita Gupta; Jayanta Kumar Ray","Bis[4-(2-methoxycarbonyl-5-thienyl)]phenyl ether","Acta Crystallographica Section C","1999","55","9","1517","1519","10.1107/S0108270199008021","","","0.71073","MoKα","","0.0369","0.0304","","","","0.0952","","","","","","1.083","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008935","28.308","0.003","11.306","0.003","20.622","0.003","90","","123.5","0.02","90","","5504","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Ni(3,5-Cl4salMetrien)]","(1,4-dioxan-O) [3,3'-methyliminobis(1,3-propanediylnitrilomethylidyne)di-3'',5''-dichloroph enolate-N,N',N'',O] nickel(II)","","- C25 H29 Cl4 N3 Ni O4 -","- C25 H26 Cl4 N3 Ni O4 -","- C200 H208 Cl32 N24 Ni8 O32 -","8","1","NA1403","Gomes, Ligia; Pinho, Dora; Freire, Cristina; de Castro, Baltazar","(1,4-Dioxane-<i>O</i>){3,3',5,5'-tetrachloro-2,2'-[4-methyl-4-azaheptane-1,7-diylbis(nitrilomethylidyne-<i>N</i>)]diphenolato-<i>O</i>,<i>O</i>'}nickel(II), [Ni(3,5-Cl~4~salMetrien)]","Acta Crystallographica Section C","1999","55","9","1425","1427","10.1107/S0108270199004588","","","0.71069","MoKα","","0.076","0.046","","0.108","","0.091","","","1.31","","","1.346","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008936","8.739","0.001","11.68","0.002","11.858","0.002","69.46","0.01","71.69","0.01","68.87","0.01","1032.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Benzoylacetone-(S-n-propylisothiosemicarbazonato)iron(III) dichloride ethanol solvate","","","- C16 H24 Cl2 Fe N3 O2 S -","- C16 H24 Cl2 Fe N3 O2 S -","- C32 H48 Cl4 Fe2 N6 O4 S2 -","2","1","NA1418","Argay, Gyula; Kálmán, Alajos; Leovac, Vukadin M.","[Fe(H<i>L</i>)Cl~2~]^.^EtOH, where H<i>L</i> is the monoanion of benzoylacetone <i>S</i>-<i>n</i>-propylisothiosemicarbazone","Acta Crystallographica Section C","1999","55","9","1440","1443","10.1107/S0108270199007647","","","0.71073","MoKα","","0.101","0.039","","","","0.097","","","","","","0.875","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008937","18.304","0.001","10.488","0.001","14.267","0.001","90","","123.79","0.001","90","","2276.2","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","9-(4H-1,2,4-triazol-4-ylimino)-4,5-diazafluorene","","- C13 H8 N6 -","- C13 H8 N6 -","- C104 H64 N48 -","8","1","NA1425","S. Shanmuga Sundara Raj; Hoong-Kun Fun; Dun-ru Zhu; Fang-Fang Jian; Koulin Zhang; Xiao-Zeng You","9-(4<i>H</i>-1,2,4-Triazol-4-ylimino)-4,5-diazafluorene","Acta Crystallographica Section C","1999","55","9","1526","1528","10.1107/S0108270199007908","","","0.71073","MoKα","","0.121","0.063","","","","0.197","","","","","","1.018","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008938","16.761","0.0002","14.2287","0.0002","21.1305","0.0002","90","","97.691","0.001","90","","4994.02","0.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","3,5-Bis(2-pyridyl)-4-p-methylphenyl-4H-1,2,4-triazole bis(triphenyl phosphine) silver(I) perchlorate","","- C55 H45 Ag Cl N5 O4 P2 -","- C55 H45 Ag Cl N5 O4 P2 -","- C220 H180 Ag4 Cl4 N20 O16 P8 -","4","1","NA1429","Shao, Si-Chang; Zhu, Dun-Ru; Zhu, Xu-Hui; You, Xiao-Zeng; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","[4-(4-Methylphenyl)-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole]bis(triphenylphosphine)silver(I) perchlorate","Acta Crystallographica Section C","1999","55","9","1412","1413","10.1107/S0108270199008197","","","0.71073","MoKα","","0.073","0.04","","","","0.111","","","","","","1.047","","","","has coordinates,has disorder","301791","2025-08-18","23:15:33",""
"2008939","10.545","0.001","9.747","0.001","5.3893","0.0005","90","","92.243","0.007","90","","553.5","0.09","298.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 N2 O4 S -","- C9 H16 N2 O4 S -","- C18 H32 N4 O8 S2 -","2","1","OA1081","Tokutake, Nobuya; Hiratake, Jun; Irie, Takayuki; Yamano, Akihito; Oda, Jun-ichi","The absolute configuration of an intermediate cyclic sulfoximine in the asymmetric synthesis of transition-state analog inhibitors of γ-glutamylcysteine synthetase","Acta Crystallographica Section C","1999","55","9","1598","1599","10.1107/S0108270198016436","","","0.7107","MoKα","","","0.029","","","","0.084","","","","","","1.033","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008940","13.006","0.001","10.648","0.001","6.619","0.001","90","","90","","90","","916.65","0.18","293","2","296.2","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","potassium niobium alminium arsenate","","- Al As1.6 K2 Nb1.4 O10 -","- Al As1.6 K2 Nb1.4 O10 -","- Al4 As6.4 K8 Nb5.6 O40 -","4","1","OH1112","Takeshi Nakagawa; Takeo Matsumoto; Valery I. Chani; Tsuguo Fukuda","K~2~NbAlO~2~[(As,Nb)O~4~]~2~, isostructural with KTiOPO~4~","Acta Crystallographica Section C","1999","55","9","1391","1393","10.1107/S0108270199005144","","","0.71069","MoKα","","","0.023","","","","0.034","","","1.991","","","1.991","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008941","12.386","0.003","15.837","0.002","14.515","0.003","90","","105","0.02","90","","2750.2","1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","methyltriphenylphosphonium 1-thiolate-2-methyl-1,2-dicarba-closo- dodecaborane(12)","methyltriphenylphosphonium 1-sulfido-2-methyl-1,2-dicarba-closo- dodecaborane(12)","","- C22 H31 B10 P S -","- C22 H31 B10 P S -","- C88 H124 B40 P4 S4 -","4","1","OS1061","Kivekäs, Raikko; Benakki, Rajae; Viñas, Clara; Sillanpää, Reijo","Methyltriphenylphosphonium 2-methyl-1-sulfido-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1999","55","9","1581","1583","10.1107/S0108270199006307","","","0.71069","MoKα","","0.172","0.059","","","","0.161","","","","","","0.997","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008942","5.1673","0.0001","23.9998","0.0004","5.4029","0.0001","90","","112.026","0.001","90","","621.13","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-leucine:D-2-aminobutanoic acid","","- C10 H22 N2 O4 -","- C10 H22 N2 O4 -","- C20 H44 N4 O8 -","2","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.065","0.052","","0.154","","0.136","","","1.151","","","1.099","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008943","5.1639","0.0001","5.4076","0.0001","13.1241","0.0002","91.779","0.001","98.138","0.001","111.823","0.001","335.393","0.011","150","2","150","2","","","","","","","","4","P 1","P 1","1","","L-Leucine:D-2-aminopentanoic acid","","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","1","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.048","0.04","","0.123","","0.114","","","1.053","","","1.083","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008944","5.1451","0.0001","28.0517","0.0005","5.4068","0.0001","90","","111.423","0.001","90","","726.44","0.02","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Leucine:D-methionine","","- C11 H24 N2 O4 S -","- C11 H24 N2 O4 S -","- C22 H48 N4 O8 S2 -","2","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.126","0.081","","","","0.173","","","","","","1.095","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008945","5.2002","0.0001","25.1334","0.0004","5.4157","0.0001","90","","110.796","0.001","90","","661.71","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-leucine:D-valine","","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","- C22 H48 N4 O8 -","2","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.039","0.037","","0.102","","0.095","","","1.108","","","1.108","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008946","9.9562","0.0001","4.7417","0.0001","12.7833","0.0001","90","","106.843","0.001","90","","577.602","0.015","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-valine:D-2-aminobutanoic acid","","- C9 H20 N2 O4 -","- C9 H20 N2 O4 -","- C18 H40 N4 O8 -","2","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.045","0.04","","0.108","","0.104","","","1.018","","","1.046","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008947","27.2288","0.0002","4.7397","0.0001","9.9535","0.0001","90","","96.091","0.001","90","","1277.31","0.03","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-valine:D-2-aminopentanoic acid","","- C10 H22 N2 O4 -","- C10 H22 N2 O4 -","- C40 H88 N8 O16 -","4","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.04","0.034","","0.102","","0.097","","","1.095","","","1.11","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008948","28.9379","0.0002","4.7032","0.0001","10.0011","0.0001","90","","90","","90","","1361.16","0.03","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-valine:D-methionine","","- C10 H22 N2 O4 S -","- C10 H22 N2 O4 S -","- C40 H88 N8 O16 S4 -","4","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.07","0.052","","0.117","","0.109","","","1.133","","","1.168","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008949","18.093","0.003","5.093","0.002","13.358","0.002","90","","105.48","0.02","90","","1186.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2:1 N^6^,N^6^-Dimethyladenine:Tetraiodoethene","","- C16 H18 I4 N10 -","- C8 H9 I2 N5 -","- C32 H36 I8 N20 -","4","1","OS1064","Dahl, Tor","<i>N</i>^6^,<i>N</i>^6^-Dimethyladenine‒tetraiodoethene (2/1)","Acta Crystallographica Section C","1999","55","9","1568","1570","10.1107/S0108270199006472","","","0.7107","MoKα","","0.0516","0.0303","","","","0.0832","","","","","","1.041","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008950","6.676","0.005","24.324","0.007","17.66","0.01","90","","95.87","0.06","90","","2853","3","298.2","","298.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 Cl N5 O8.5 -","- C26 H32 Cl N5 O8.5 -","- C104 H128 Cl4 N20 O34 -","4","1","QA0146","Vyas, K.; Moses Babu, J.; Om Reddy, G.","Domperidone maleate","Acta Crystallographica Section C","1999","55","9","IUC9900104","","10.1107/S010827019909887X","","","1.5418","CuKα","","0.085","0.062","","0.082","","0.078","","","1.807","","","1.964","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008951","11.607","0.002","20.097","0.005","10.449","0.004","90","","90","","90","","2437.4","1.2","298.2","","298.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 N2 O3 -","- C24 H42 N2 O3 -","- C96 H168 N8 O12 -","4","1","QA0147","Moses Babu,J.; Ravindra Kumar, Y.; Vyas, K.; Om Reddy, G.; Rajan, S. T.; Reddy, M. S. N.","<i>N</i>-<i>tert</i>-Butyl-3-oxo-4-aza-5β,17β-androstane-17-carboxamide methanol solvate, a finasteride impurity","Acta Crystallographica Section C","1999","55","9","IUC9900105","","10.1107/S0108270199098868","","","1.5418","CuKα","","0.101","0.081","","0.12","","0.114","","","1.862","","","1.976","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008952","7.2989","0.0001","9.2859","0.0001","12.4017","0.0001","89.4709","0.0003","87.8567","0.0002","70.768","0.0003","793.08","0.015","100","1","100","1","","","","","","","","3","P 1","P 1","1","","","","- C18.5 H26 O2.5 -","- C18.5 H26 O2.5 -","- C37 H52 O5 -","2","2","QA0149","Parrish, Damon A.; Pinkerton, A. Alan","Estradiol methanol hemisolvate","Acta Crystallographica Section C","1999","55","9","IUC9900100","","10.1107/S0108270199098856","","","0.71073","MoKα","","0.082","0.043","","","","0.116","","","","","","0.941","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008953","14.373","0.007","11.078","0.007","16.788","0.008","90","","107.67","0.05","90","","2547","2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[bis(2,2'-bipyridine)(pyridine-2-carboxylato)ruthenium(II)] hexafluorophosphate","[bis(2,2'-bipyridine)(pyridine-2-carboxylato)ruthenium(II)] hexafluorophosphate","","- C26 H20 F6 N5 O2 P Ru -","- C26 H20 F6 N5 O2 P Ru -","- C104 H80 F24 N20 O8 P4 Ru4 -","4","1","QA0150","Lashgari, Kianosh; Norrestam, Rolf; Åkermark, Björn","Bis(2,2'-bipyridine)(pyridine-2-carboxylate)ruthenium(II) hexafluorophosphate at 173K","Acta Crystallographica Section C","1999","55","9","IUC9900108","","10.1107/S0108270199098881","","","0.71073","MoKα","","0.062","0.036","","","","0.105","","","","","","1.001","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008954","11.078","0.002","12.869","0.002","28.77","0.005","90","","100.17","0.01","90","","4037.1","1.2","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Octacarbonyl-μ-dicyclohexylphosphido-dirhenium-silver-triphenylphosphane","","- C38 H37 Ag O8 P2 Re2 -","- C38 H37 Ag O8 P2 Re2 -","- C152 H148 Ag4 O32 P8 Re8 -","4","1","QA0152","Flörke, Ulrich; Haupt, Hans-Jürgen","Octacarbonyl-1κ^4^<i>C</i>,2κ^4^<i>C</i>-μ-dicyclohexylphosphido-1:2κ^2^<i>P</i>:<i>P</i>-triphenylphosphine-2κ<i>P</i>-silverdirhenium(2 <i>Re</i>—<i>Ag</i>)","Acta Crystallographica Section C","1999","55","9","IUC9900106","","10.1107/S010827019909890X","","","0.71073","MoKα","","0.086","0.048","","","","0.077","","","","","","1.165","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008955","16.283","0.001","10.694","0.001","15.038","0.002","90","","91.443","0.009","90","","2617.7","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,2'-Iminodipyridinium(1+) dichlorotriphenylstannate","","- C28 H25 Cl2 N3 Sn -","- C28 H25 Cl2 N3 Sn -","- C112 H100 Cl8 N12 Sn4 -","4","0.5","QA0153","Ng, Seik Weng","2,2'-Iminodipyridinium(1+) dichlorotriphenylstannate and 2,2'-iminodipyridinium(1+) tricyclohexylbis(trifluoroacetato)stannate","Acta Crystallographica Section C","1999","55","9","IUC9900098","","10.1107/S0108270199098923","","","0.71073","MoKα","","0.0513","0.0484","","","","0.1449","","","","","","1.141","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008956","18.8548","0.0008","10.9063","0.0007","17.591","0.002","90","","99.678","0.005","90","","3565.9","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,2'-Iminodipyridinium(1+) bis(trifluoroacetato)tricyclohexylstannate","","- C32 H43 F6 N3 O4 Sn -","- C32 H43 F6 N3 O4 Sn -","- C128 H172 F24 N12 O16 Sn4 -","4","0.5","QA0153","Ng, Seik Weng","2,2'-Iminodipyridinium(1+) dichlorotriphenylstannate and 2,2'-iminodipyridinium(1+) tricyclohexylbis(trifluoroacetato)stannate","Acta Crystallographica Section C","1999","55","9","IUC9900098","","10.1107/S0108270199098923","","","0.71073","MoKα","","0.0678","0.0587","","","","0.1732","","","","","","1.079","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008957","8.409","0.004","9.327","0.004","18.144","0.007","78.555","0.014","76.85","0.02","70.5","0.02","1294.6","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bromo (1,10-Phenanthroline-N,N') (Triphenylphosphine) Copper(I)","","- C30 H23 Br Cu N2 P -","- C30 H23 Br Cu N2 P -","- C60 H46 Br2 Cu2 N4 P2 -","2","1","QA0154","Jin, Qiong-Hua; Xin, Xiu-Lan; Zhu, Fu-Jiang","Bromo(1,10-phenanthroline-<i>N</i>,<i>N</i>')(triphenylphosphine)copper(I)","Acta Crystallographica Section C","1999","55","9","IUC9900107","","10.1107/S0108270199098893","","","0.71073","MoKα","","","0.037","","","","0.086","","","","","","0.948","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008958","7.1535","0.0009","5.5819","0.001","5.3279","0.0004","90","","89.934","0.008","90","","212.74","0.05","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","Disodium zinc germanate","Disodium zinc germanium tetraoxide","","- Ge Na2 O4 Zn -","- Ge Na2 O4 Zn -","- Ge2 Na4 O8 Zn2 -","2","1","QA0155","Healey, Adam M.; Webster, Michael; Weller, Mark T.","Disodium zinc germanium tetraoxide","Acta Crystallographica Section C","1999","55","9","IUC9900099","","10.1107/S0108270199098935","","","0.71073","MoKα","","0.023","0.022","","","","0.054","","","","","","1.259","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008959","23.7306","0.0014","11.9542","0.0012","17.468","0.003","90","","95.597","0.019","90","","4931.7","1","294","1","294","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-Bis(triphenylphosphine)bis(tert-butylisocyanide)rhodium(I) nido-7,8-dicarbaundecaborane.","","- C48 H60 B9 N2 P2 Rh -","- C46 H60 B11.402 N2 P2 Rh -","- C184 H240 B45.608 N8 P8 Rh4 -","4","0.5","QA0156","Ferguson, George; McEneaney, Patricia A.; Spalding, Trevor R.","<i>trans</i>-Bis(<i>tert</i>-butylisocyanido-<i>C</i>)bis(triphenylphosphine-<i>P</i>)rhodium(I) <i>nido</i>-7,8-dicarbaundecarboranide","Acta Crystallographica Section C","1999","55","9","IUC9900103","","10.1107/S0108270199098911","","","0.71073","MoKα","","0.049","0.034","","","","0.09","","","","","","1.194","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008960","6.1965","0.0012","13.025","0.003","10.419","0.002","90","","103.88","0.03","90","","816.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ethyl viologen diiodide","N,N'-diethyl-4,4'-bipyridinium diiodide","","- C14 H18 I2 N2 -","- C14 H18 I2 N2 -","- C28 H36 I4 N4 -","2","0.5","QA0157","Eckert, Nathan A.; Krause Bauer, Jeanette A.; Connick, William B.","<i>N</i>,<i>N</i>'-Diethyl-4,4'-bipyridinium diiodide","Acta Crystallographica Section C","1999","55","9","IUC9900101","","10.1107/S0108270199098844","","","0.71073","MoKα","","0.033","0.027","","0.073","","0.068","","","","","","1.112","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008961","12.951","0.003","9.977","0.002","11.131","0.002","90","","113.52","0.03","90","","1318.8","0.6","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2,6,6-tetramethyl-4-(methylsulfonyl-oxyl)-1-piperidinooxy","","- C10 H20 N O4 S -","- C10 H20 N O4 S -","- C40 H80 N4 O16 S4 -","4","1","QA0158","Homrighausen, Craig L.; Krause Bauer, Jeanette A.","2,2,6,6-Tetramethyl-4-(methylsulfonyloxy)piperidinyl 1-oxide","Acta Crystallographica Section C","1999","55","9","IUC9900102","","10.1107/S0108270199098832","","","0.71073","MoKα","","0.091","0.053","","","","0.129","","","","","","1.073","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008962","8.043","0.001","13.288","0.002","17.629","0.002","90","","96.34","0.03","90","","1872.6","0.4","291","1","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl2 O5 -","- C20 H20 Cl2 O5 -","- C80 H80 Cl8 O20 -","4","1","QA0159","Meinhardt, Sven; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","Dimethyl 2-(5,8-dichloro-10-oxotricyclo[7.3.2.0^2,7^]tetradeca-2(7),3,5,11-tetraen-6-ylmethyl)malonate","Acta Crystallographica Section C","1999","55","9","IUC9900110","","10.1107/S0108270199098820","","","0.71069","MoKα","","0.056","0.04","","","","0.112","","","","","","1.013","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008963","9.8615","0.0001","10.6446","0.0002","13.6513","0.0001","90","","90","","90","","1433","0.03","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tert-Butylhydrazine hydrochloride","t-Butylhydrazine hydrochloride","","- C4 H13 Cl N2 -","- C4 H13 Cl N2 -","- C32 H104 Cl8 N16 -","8","1","QA0162","Schumann, Herbert; Gottfriedsen, Jochen; Dechert, Sebastian","Redetermination of <i>tert</i>-butylhydrazinium chloride","Acta Crystallographica Section C","1999","55","9","IUC9900109","","10.1107/S0108270199098819","","","0.71073","MoKα","","0.035","0.029","","","","0.081","","","","","","1.074","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008964","5.6779","0.001","6.3017","0.0011","20.48","0.003","88.37","0.011","86.483","0.007","70.162","0.011","688","0.2","134","2","134","2","","","","","","","","3","P -1","-P 1","2","","(±)-(3'aα,3'bα,6'aα,7'aα)-octahydro-5,5-dimethyl-spiro[1,3-dioxane- 2,5'(2'H)pentaleno[2,1-b]furan]-2'-one","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","QA0163","Bats, Jan W.; Öhlinger, Stefan H.; Mulzer, Johann","(±)-(3'aα,3'bα,6'aα,7'aα)- and (±)-(3'aα,3'bβ,6'aβ,7'aα)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-5,5-dimethylspiro[1,3-dioxane-2,5'-pentaleno[2,1-<i>b</i>]furan]-2'-one","Acta Crystallographica Section C","1999","55","9","IUC9900111","","10.1107/S0108270199098807","","","0.71073","MoKα","","0.045","0.039","","","","0.125","","","","","","1.557","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008965","6.6228","0.0015","21.651","0.003","9.5738","0.0012","90","","100.106","0.014","90","","1351.5","0.4","135","2","135","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-(3'aα,3'bβ,6'aβ,7'aα)-octahydro-5,5-dimethyl-spiro[1,3-dioxane- 2,5'(2'H)pentaleno[2,1-b]furan]-2'-one","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","QA0163","Bats, Jan W.; Öhlinger, Stefan H.; Mulzer, Johann","(±)-(3'aα,3'bα,6'aα,7'aα)- and (±)-(3'aα,3'bβ,6'aβ,7'aα)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-5,5-dimethylspiro[1,3-dioxane-2,5'-pentaleno[2,1-<i>b</i>]furan]-2'-one","Acta Crystallographica Section C","1999","55","9","IUC9900111","","10.1107/S0108270199098807","","","0.71073","MoKα","","0.081","0.05","","","","0.127","","","","","","1.289","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008966","4.7711","0.0007","12.4592","0.001","14.9907","0.0013","90","","94.37","0.01","90","","888.52","0.17","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl6 Cu N2 O2 -","- C12 H10 Cl6 Cu N2 O2 -","- C24 H20 Cl12 Cu2 N4 O4 -","2","0.5","SK1268","Gökağaç, Gülsün; Tatar, Leyla; Kısakürek, Duygu; Ülkü, Dinçer","Diamminebis(2,4,6-trichlorophenolato)copper(II)","Acta Crystallographica Section C","1999","55","9","1413","1416","10.1107/S0108270199006447","","","0.71073","MoKα","","","0.0314","","","","0.0379","","","","","","1","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008967","14.945","0.002","14.945","0.002","39.572","0.002","90","","90","","90","","8838.5","1.7","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","(2S,3S,9S,10S)-2,3,9,10-Tetraphenyl-1,4,8,11-tetraoxacyclotetradecane-6,13-dione","","- C34 H32 O6 -","- C34 H32 O6 -","- C408 H384 O72 -","12","1.5","SK1289","Choong Eui Song; Yang Hee Kim; Kwan Mook Kim; Dae Yoon Chi; Jong Hwa Jeong","Cocrystallization of two conformers of (2<i>S</i>,3<i>S</i>,9<i>S</i>,10<i>S</i>)-2,3,9,10-tetraphenyl-1,4,8,11-tetraoxacyclotetradecane-6,13-dione","Acta Crystallographica Section C","1999","55","9","1574","1575","10.1107/S0108270199006976","","","0.71073","MoKα","","0.1353","0.0468","","","","0.1496","","","","","","0.999","","","","has coordinates","303290","2025-11-13","08:08:07",""
"2008968","8.6086","0.0003","11.5661","0.0004","14.765","0.0005","90","","91.554","0.001","90","","1469.58","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Phenyl(diisopropylamino)-chlorophosphine sulphide","","- C12 H19 Cl N P S -","- C12 H19 Cl N P S -","- C48 H76 Cl4 N4 P4 S4 -","4","1","SK1290","S.Renganayaki; E.Subramanian; S.Shanmuga Sundara Raj; Hoong-Kun Fun","Chloro(diisopropylamino)(phenyl)phosphine sulfide","Acta Crystallographica Section C","1999","55","9","1525","1526","10.1107/S0108270199006435","","","0.71073","MoKα","","0.1601","0.0619","","","","0.125","","","","","","1","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008969","11.4095","0.0009","12.3701","0.0006","13.1335","0.001","90","","92.864","0.009","90","","1851.3","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Pyrazole-N^2^)(2,2-dimethyl-N-salicylideneglycinato-O,N,O')copper(II) pyrazole solvate","","- C34 H38 Cu2 N10 O6 -","- C34 H38 Cu2 N10 O6 -","- C68 H76 Cu4 N20 O12 -","2","0.5","SK1292","Elizabeth Hill; Warda, Salam A.","Dimeric (pyrazole-<i>N</i>^2^)(<i>N</i>-salicylidene-2,2-dimethylglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II) pyrazole solvate","Acta Crystallographica Section C","1999","55","9","1431","1434","10.1107/S0108270199006988","","","0.71073","MoKα","","","0.0307","","","","0.0743","","","","","","0.946","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008970","9.6826","0.0011","14.378","0.003","14.797","0.003","63.17","0.06","83.25","0.11","80.17","0.1","1809.3","1.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","3,5-Dihydroxybenzoic acid–4,4'-bipyridine (2/3)","","- C44 H36 N6 O8 -","- C44 H36 N6 O8 -","- C88 H72 N12 O16 -","2","1","SK1293","Wheatley, Paul S.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Linking of <i>C</i>^4^~4~(32)[<i>R</i>^4^~4~(30)] chains of rings in the hydrogen-bonded adduct 3,5-dihydroxybenzoic acid–4,4'-bipyridine (2/3) by means of π···π stacking interactions","Acta Crystallographica Section C","1999","55","9","1489","1492","10.1107/S0108270199006319","","","0.71073","MoKα","","0.138","0.056","","","","0.134","","","","","","0.932","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008971","7.839","0.002","5.99","0.001","8.244","0.002","90","","116.88","0.01","90","","345.28","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 N -","- C9 H7 N -","- C18 H14 N2 -","2","0.5","SK1296","Hensen, Karl; Mayr-Stein, Ralf; Bolte, Michael","Isoquinoline","Acta Crystallographica Section C","1999","55","9","1565","1567","10.1107/S0108270199006320","","","0.71073","MoKα","","0.0517","0.047","","","","0.1331","","","","","","1.092","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008972","19.249","0.0006","7.3915","0.0004","12.6587","0.0006","90","","92.554","0.003","90","","1799.28","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Hydroxyisophthalic acid–4,4'-trimethylenedipyridine (1/1)","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","SK1297","Wheatley, Paul S.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Four interpenetrating three-dimensional frameworks in the hydrogen-bonded structure of 5-hydroxyisophthalic acid–4,4'-trimethylenedipyridine (1/1)","Acta Crystallographica Section C","1999","55","9","1486","1489","10.1107/S0108270199006356","","","0.71073","MoKα","","0.081","0.046","","","","0.116","","","","","","1.025","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008973","7.3437","0.0003","24.6375","0.0008","7.4493","0.0003","90","","93.295","0.001","90","","1345.58","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[3-methyl-1-hydroxy-2(1H)-pyridinethioato-O,S]nickel(II)","","- C12 H12 N2 Ni O2 S2 -","- C12 H12 N2 Ni O2 S2 -","- C48 H48 N8 Ni4 O8 S8 -","4","1","SK1298","S. Shanmuga Sundara Raj; Hoong-Kun Fun; De-Zhong Niu; Zai-Sheng Lu; Bai-Wang Sun; Bao-Lin Song; Xiao-Zeng You","Bis[1-hydroxy-3-methylpyridine-2(1<i>H</i>)-thionato-<i>O</i>,<i>S</i>]nickel(II)","Acta Crystallographica Section C","1999","55","9","1410","1411","10.1107/S010827019900699X","","","0.71073","MoKα","","0.062","0.055","","","","0.148","","","","","","1.107","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008974","7.623","0.0001","9.978","0.0001","19.1161","0.0001","90","","99.73","0.001","90","","1433.1","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 1-(4-chlorobenzyl)-2-oxa-1-cyclohexanecarboxylate (I)","","- C15 H17 Cl O3 -","- C15 H17 Cl O3 -","- C60 H68 Cl4 O12 -","4","1","SK1299","H. Surya Prakash Rao; S. Rajamathe; S. Shanmuga Sundara Raj; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","Methyl 1-(4-chlorobenzyl)-2-oxocyclohexane-1-carboxylate and methyl (2<i>RS</i>,4a<i>RS</i>,8a<i>RS</i>)-2-(4-chlorobenzyl)-3-oxoperhydronaphthalene-2-carboxylate","Acta Crystallographica Section C","1999","55","9","1519","1522","10.1107/S0108270199007003","","","0.71073","MoKα","","0.067","0.044","","","","0.119","","","","","","1.01","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008975","11.7762","0.0003","11.8495","0.0004","13.0464","0.0004","90","","102.905","0.001","90","","1774.54","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl (2R,4aR,8aR)-2-(4-chlorobenzyl)-3-oxoperhydro-2-cyclohexanecarboxylate (II)","","- C19 H23 Cl O3 -","- C19 H23 Cl O3 -","- C76 H92 Cl4 O12 -","4","1","SK1299","H. Surya Prakash Rao; S. Rajamathe; S. Shanmuga Sundara Raj; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","Methyl 1-(4-chlorobenzyl)-2-oxocyclohexane-1-carboxylate and methyl (2<i>RS</i>,4a<i>RS</i>,8a<i>RS</i>)-2-(4-chlorobenzyl)-3-oxoperhydronaphthalene-2-carboxylate","Acta Crystallographica Section C","1999","55","9","1519","1522","10.1107/S0108270199007003","","","0.71073","MoKα","","0.111","0.054","","","","0.139","","","","","","1.008","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008976","9.4742","0.0002","16.6161","0.0004","10.8918","0.0007","90","","90","","90","","1714.63","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Glutathione","γ-L-Glutamyl-L-cysteinyl-glycine","","- C20 H40 N6 O20 S2 -","- C20 H40 N6 O20 S2 -","- C40 H80 N12 O40 S4 -","2","0.5","SX1077","Jelsch, Christian; Didierjean, Claude","The oxidized form of glutathione","Acta Crystallographica Section C","1999","55","9","1538","1540","10.1107/S0108270199007039","","","0.56087","AgKα","","0.04","0.038","","","","0.1","","","","","","1.108","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008977","11.081","0.008","16.103","0.01","22.211","0.014","90","","90.38","0.03","90","","3963","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Di[Aquo Lithium Di(benzo-15-crown-5)] Tetracopper Hexaiodide","Di[Aquo Lithium Di(benzo-15-crown-5)] Tetracopper Hexaiodide","","- C56 H42 Cu4 I6 Li2 O22 -","- C56 H84 Cu4 I6 Li2 O22 -","- C112 H168 Cu8 I12 Li4 O44 -","2","0.5","SX1087","Aliya Nurtaeva; Elizabeth M. Holt","Aqua(benzo-15-crown-5)lithium‒hexa-μ-iodotetracopper‒benzo-15-crown-5 (2/1/2), bis[bis(benzo-15-crown-5)caesium] hexa-μ-iodotetracopper and μ-aqua-bis[aqua(18-crown-6)sodium] hexa-μ-iodotetracopper","Acta Crystallographica Section C","1999","55","9","1453","1457","10.1107/S0108270199007040","","","0.71073","MoKα","","0.212","0.073","","","","0.197","","","","","","0.972","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008978","10.896","0.004","16.277","0.005","22.638","0.007","90","","91.37","0.02","90","","4014","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Di[ Cesium di(benzo-15-crown-5)] Tetracopper Hexaiodide","Di[Cesium di(benzo-15-crown-5)] Tetracopper Hexaiodide","","- C56 H80 Cs2 Cu4 I6 O20 -","- C56 H80 Cs2 Cu4 I6 O20 -","- C112 H160 Cs4 Cu8 I12 O40 -","2","0.5","SX1087","Aliya Nurtaeva; Elizabeth M. Holt","Aqua(benzo-15-crown-5)lithium–hexa-μ-iodotetracopper–benzo-15-crown-5 (2/1/2), bis[bis(benzo-15-crown-5)caesium] hexa-μ-iodotetracopper and μ-aqua-bis[aqua(18-crown-6)sodium] hexa-μ-iodotetracopper","Acta Crystallographica Section C","1999","55","9","1453","1457","10.1107/S0108270199007040","","","0.71073","MoKα","","0.184","0.064","","","","0.181","","","","","","0.96","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008979","11.303","0.002","13.926","0.002","15.268","0.003","90","","96.95","0.01","90","","2385.6","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Sodium(18-crown-6) Dicopper(I) Triiodide 1.5H~2~O","Sodium(18-crown-6) Dicopper(I) Triiodide 1.5H~2~O","","- C24 H54 Cu4 I6 Na2 O15 -","- C24 H52 Cu4 I12 Na2 O15 -","- C48 H104 Cu8 I24 Na4 O30 -","2","0.5","SX1087","Aliya Nurtaeva; Elizabeth M. Holt","Aqua(benzo-15-crown-5)lithium–hexa-μ-iodotetracopper–benzo-15-crown-5 (2/1/2), bis[bis(benzo-15-crown-5)caesium] hexa-μ-iodotetracopper and μ-aqua-bis[aqua(18-crown-6)sodium] hexa-μ-iodotetracopper","Acta Crystallographica Section C","1999","55","9","1453","1457","10.1107/S0108270199007040","","","0.71073","MoKα","","0.155","0.047","","","","0.104","","","","","","0.852","","","","has coordinates","283803","2023-05-16","08:05:52",""
"2008980","10.375","0.002","13.3","0.002","10.314","0.001","106.18","0.01","94.4","0.01","71.86","0.01","1298.8","0.4","297","","297.2","","","","","","","","","5","P -1","-P 1","2","[N,N'-bis(5-methoxysalicylidene)-1,2-diphenyl-1,2-ethenediamine]oxovanadium","","","- C30 H24 N2 O5 V -","- C30 H24 N2 O5 V -","- C60 H48 N4 O10 V2 -","2","1","TA1233","Hoshina, Gakuse; Ohba, Shigeru; Tsuchimoto, Masanobu","[<i>N</i>,<i>N</i>'-Bis(5-methoxysalicylidene)-1,2-diphenyl-1,2-ethenediamine]oxovanadium(IV)","Acta Crystallographica Section C","1999","55","9","1451","1453","10.1107/S0108270199006551","","","0.71073","MoKα","","","0.053","","","","0.071","","","","","","1.1","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008981","7.292","0.002","14.454","0.004","9.643","0.003","90","","96.673","0.003","90","","1009.5","0.5","158","2","158","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H12 Cl2 N2 O8 -","- C3 H12 Cl2 N2 O8 -","- C12 H48 Cl8 N8 O32 -","4","1","TA1239","Brooker, Sally; de Geest, Duncan J.","Propane-1,3-diammonium diperchlorate","Acta Crystallographica Section C","1999","55","9","1589","1591","10.1107/S0108270199007246","","","0.71073","MoKα","","0.037","0.032","","","","0.082","","","","","","1.027","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008982","7.7051","0.0002","14.8671","0.0003","22.2079","0.0005","90","","90","","90","","2543.97","0.1","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tricarbonyl{(R)-methyl 2,3-di-O-methyl-4,6-O-[(1S,3R)-(η^6^-3-trimethylsilyl phenyl)methylene]-α-D-glucopyranoside}chromium(0).","","- C22 H30 Cr O9 Si -","- C22 H30 Cr O9 Si -","- C88 H120 Cr4 O36 Si4 -","4","1","TA1240","Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde","Tricarbonylchromium complexes of four methyl 4,6-<i>O</i>-[(η^6^-phenyl)alkylidene]-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1999","55","9","1475","1479","10.1107/S0108270199007313","","","0.71073","MoKα","","0.063","0.044","","","","0.091","","","","","","1.095","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008983","11.7885","0.0002","14.5002","0.0003","15.3639","0.0002","90","","90","","90","","2626.24","0.08","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tricarbonyl{(R)-methyl 2,3-di-O-methyl-4,6-O-[(1S,2R)-(η^6^-2-trimethylsilyl phenyl)methylene]-α-D-glucopyranoside}chromium(0).","","- C22 H30 Cr O9 Si -","- C22 H30 Cr O9 Si -","- C88 H120 Cr4 O36 Si4 -","4","1","TA1240","Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde","Tricarbonylchromium complexes of four methyl 4,6-<i>O</i>-[(η^6^-phenyl)alkylidene]-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1999","55","9","1475","1479","10.1107/S0108270199007313","","","0.71073","MoKα","","0.041","0.036","","","","0.093","","","","","","1.026","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008984","7.7593","0.0001","27.9746","0.0003","10.2064","0.0001","90","","101.65","","90","","2169.8","0.04","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Tricarbonyl{(R)-methyl 2,3-O-(1-methylethylidene)-4,6-O-[(η^6^- phenyl)methylene]-α-D-glucopyranoside}chromium(0).","","- C20 H22 Cr O9 -","- C20 H22 Cr O9 -","- C80 H88 Cr4 O36 -","4","2","TA1240","Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde","Tricarbonylchromium complexes of four methyl 4,6-<i>O</i>-[(η^6^-phenyl)alkylidene]-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1999","55","9","1475","1479","10.1107/S0108270199007313","","","0.71073","MoKα","","0.041","0.035","","","","0.084","","","","","","1.035","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008985","7.6488","0.0001","13.3096","0.0003","11.1206","0.0002","90","","100.08","","90","","1114.63","0.04","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Tricarbonyl{(S)-methyl 2,3-di-O-methyl-4,6-O-[(η^6^- 1-phenyl)ethylene]-α-D-glucopyranoside}chromium(0).","","- C20 H24 Cr O9 -","- C20 H24 Cr O9 -","- C40 H48 Cr2 O18 -","2","1","TA1240","Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde","Tricarbonylchromium complexes of four methyl 4,6-<i>O</i>-[(η^6^-phenyl)alkylidene]-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1999","55","9","1475","1479","10.1107/S0108270199007313","","","0.71073","MoKα","","0.033","0.031","","","","0.087","","","","","","1.059","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008986","4.783","0.0001","7.5624","0.0002","8.569","0.0002","108.231","0.001","97.384","0.001","105.236","0.001","276.431","0.012","295","","","","","","","","","","","5","P -1","-P 1","2","","barium gallium hydrogen diphosphate (2/1/1/2)","","- Ba2 Ga H O14 P4 -","- Ba2 Ga H O14 P4 -","- Ba2 Ga H O14 P4 -","1","0.5","TA1242","Kuei-Fang Hsu; Sue-Lein Wang","Ba~2~GaH(P~2~O~7~)~2~","Acta Crystallographica Section C","1999","55","9","1400","1401","10.1107/S0108270199007568","","","0.71073","MoKα","","","0.018","","","","0.047","","","","","","1.14","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008987","11.4782","0.0001","17.9393","0.0003","23.3995","0.0002","90","","101.006","0.001","90","","4729.59","0.1","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H46 Cl2 O6 P2 Pt -","- C53 H46 Cl2 O6 P2 Pt -","- C212 H184 Cl8 O24 P8 Pt4 -","4","1","TA1245","Henderson, William; Oliver, Allen G.","<i>cis</i>-Bis(phenoxyacetato-<i>O</i>)bis(triphenylphosphine-<i>P</i>)platinum(II) dichloromethane solvate","Acta Crystallographica Section C","1999","55","9","1408","1410","10.1107/S010827019900757X","","","0.71073","MoKα","","0.074","0.048","","","","0.119","","","","","","1.065","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008988","9.346","0.001","9.516","0.001","15.031","0.001","96.62","0.01","103.76","0.01","102.92","0.01","1245.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","tetrakis(μ-6-chloropyridin-2-olato)-1κ^4^O,2κ^4^N- methoxy-1κO-diruthenium(II,III)(Ru—Ru)","","- C21 H15 Cl4 N4 O5 Ru2 -","- C21 H15 Cl4 N4 O5 Ru2 -","- C42 H30 Cl8 N8 O10 Ru4 -","2","1","TA1246","Youm, Kyoung-Tae; Kim, Youngmee; Jun, Moo-Jin","Tetrakis(μ-6-chloropyridin-2-olato)methoxydiruthenium(II, III)","Acta Crystallographica Section C","1999","55","9","1483","1485","10.1107/S0108270199006563","","","0.71073","MoKα","","0.031","0.028","","","","0.08","","","","","","1.132","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008989","25.1766","0.001","6.6867","0.0003","19.3304","0.0007","90","","113.807","0.003","90","","2977.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,10-dihydro-1,10-phenanthrolinium iodinium-dichlorido chloride.","","- C12 H10 Cl3 I N2 -","- C12 H10 Cl3 I N2 -","- C96 H80 Cl24 I8 N16 -","8","1","TA1249","Wang, Zhe-Ming; Wang, Yan-Qia; Liao, Chun-Sheng; Yan, Chun-Hua","1,10-Phenanthrolinium(2+) dichloroiodide(1 –) chloride","Acta Crystallographica Section C","1999","55","9","1506","1508","10.1107/S0108270199007775","","","0.71073","MoKα","","0.042","0.031","","","","0.074","","","","","","1.085","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008990","10.961","0.002","11.775","0.002","10.452","0.002","112.6","0.03","108.47","0.03","65.02","0.03","1109.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepine","1,3a,5-triphenyl-3a,4,5,6-tetrahydro-[1,2,4]oxadiazolo[4,5-a] [1,5]benzodiazepine","","- C28 H23 N3 O -","- C28 H23 N3 O -","- C56 H46 N6 O2 -","2","1","TA1252","Xu, Jiaxi; Jin, Sheng","1,3a,5-Triphenyl-3a,4,5,6-tetrahydro-1,2,4-oxadiazolo[4,5-<i>a</i>][1,5]benzodiazepine","Acta Crystallographica Section C","1999","55","9","1579","1581","10.1107/S0108270199006575","","","0.71073","MoKα","","0.088","0.043","","","","0.134","","","","","","0.941","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008991","11.375","0.003","10.438","0.003","12.577","0.004","90","","115.8","0.02","90","","1344.4","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H33 N3 O6 -","- C24 H33 N3 O6 -","- C48 H66 N6 O12 -","2","1","VJ1099","Banumathi, S.; Velmurugan, D.; Ravikumar, K.; Vijayalakshmi, S.; Balaji Rao, R.; Balaram, P.","Methyl 1-(<i>tert</i>-butoxycarbonyl-<small>L</small>-alanyl-<small>L</small>-leucylamino)cyclooctane-1-carboxylate","Acta Crystallographica Section C","1999","55","9","1575","1577","10.1107/S0108270199005260","","","0.71073","MoKα","","0.0753","0.0684","","0.1937","","0.1861","","","","","","1.091","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008992","12.5262","0.0009","12.8058","0.0007","10.2263","0.0005","100.762","0.004","110.156","0.003","110.603","0.004","1349.99","0.16","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N2 O6 -","- C34 H28 N2 O6 -","- C68 H56 N4 O12 -","2","1","BK1438","Bruce Taylor; Patrick J. Carroll; Madeleine M. Joullié","Novel compounds from 1,2-indanedione and 3,5-dimethoxyaniline","Acta Crystallographica Section C","1999","55","10","1733","1736","10.1107/S0108270199004060","","","0.71069","MoKα","","0.073","0.061","","","","0.139","","","","","","1.14","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008993","7.9574","0.0001","19.4192","0.0003","24.2174","0.0004","90","","91.406","0.002","90","","3741.1","0.1","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H36 Cl2 N2 O7 -","- C44 H36 Cl2 N2 O7 -","- C176 H144 Cl8 N8 O28 -","4","2","BK1438","Bruce Taylor; Patrick J. Carroll; Madeleine M. Joullié","Novel compounds from 1,2-indanedione and 3,5-dimethoxyaniline","Acta Crystallographica Section C","1999","55","10","1733","1736","10.1107/S0108270199004060","","","0.71069","MoKα","","0.068","0.062","","","","0.161","","","","","","1.07","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008994","4.659","0.001","25.117","0.002","7.758","0.001","90","","105.51","0.01","90","","874.8","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Methyl β-lactoside","Methyl 4-O-β-D-galactopyranosyl-β-D-glucopyranoside","","- C14 H28 O12 -","- C14 H28 O12 -","- C28 H56 O24 -","2","1","BK1465","Stenutz, Roland; Shang, Maoyu; Serianni, Anthony S.","Methyl β-lactoside (methyl 4-<i>O</i>-β-<small>D</small>-galactopyranosyl-β-<small>D</small>-glucopyranoside) methanol solvate","Acta Crystallographica Section C","1999","55","10","1719","1721","10.1107/S0108270199007994","","","0.71073","MoKα","","0.0309","0.0301","","0.0791","0.0781","","","","1.124","1.129","1.129","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2008995","10.087","0.001","12.454","0.002","14.177","0.003","90","","90","","90","","1781","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-Isopropyl-7,10-dimethoxy-3-phenyl-1-oxa-2,6,9-triaza-spiro[4.5]deca- 2,6,9-triene","","- C17 H21 N3 O3 -","- C17 H21 N3 O3 -","- C68 H84 N12 O12 -","4","1","BM1299","Nieger, Martin; Bolte, Michael","8-Isopropyl-7,10-dimethoxy-3-phenyl-1-oxa-2,6,9-triazaspiro[4.5]deca-2,6,9-triene","Acta Crystallographica Section C","1999","55","10","1666","1667","10.1107/S0108270198015923","","","0.71069","MoKα","","0.1","0.056","","","","0.117","","","","","","1.005","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2008996","14.8435","0.0003","14.8573","0.0002","18.9784","0.0004","107.983","0.001","96.779","0.001","103.117","0.001","3796.28","0.13","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C154 H128 La2 N8 Ni O22 P8 S4 -","- C154 H128 La2 N8 Ni O22 P8 S4 -","- C154 H128 La2 N8 Ni O22 P8 S4 -","1","0.5","BM1312","De-Liang Long; Huai-Min Hu; Jiu-Tong Chen; Jin-Shun Huang","[La(NO~3~)~2~(Ph~3~PO)~4~]~2~[Ni(C~4~N~2~S~2~)~2~]^.^2CH~3~OH","Acta Crystallographica Section C","1999","55","10","1662","1664","10.1107/S0108270199006629","","","0.71073","MoKα","","0.052","0.035","","","","0.085","","","","","","0.971","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008997","13.336","0.003","13.837","0.003","16.059","0.004","90","","98.51","0.02","90","","2930.7","1.2","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(4-(N-pyridiniummethyl)-1,3-dioxolane)-2-spiro-1',2',4',6' -trinitrocyclohexadienide","","- C14 H12 N4 O8 -","- C14 H12 N4 O8 -","- C112 H96 N32 O64 -","8","1","BM1329","Borbulevych, Oleg Ya.; Shishkin, Oleg V.; Knyazev, Victor N.","A zwitterionic Meisenheimer complex of 2,4,6-trinitrobenzene","Acta Crystallographica Section C","1999","55","10","1704","1706","10.1107/S0108270199006083","","","0.71073","MoKα","","0.0715","0.0442","","0.1408","","0.118","","","0.991","","","1.103","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008998","6.5401","0.0012","14.0889","0.0018","8.1843","0.0012","90","","99.753","0.012","90","","743.2","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(imidazolidine-2-thione)gold(I) diiodoaurate(I)","","- C6 H12 Au2 I2 N4 S2 -","- C6 H12 Au2 I2 N4 S2 -","- C12 H24 Au4 I4 N8 S4 -","2","0.5","BM1346","Friedrichs, Steffi; Jones, Peter G.","Bis(imidazolidine-2-thione)gold(I) diiodoaurate(I)","Acta Crystallographica Section C","1999","55","10","1625","1627","10.1107/S0108270199008148","","","0.71073","MoKα","","0.04","0.024","","","","0.05","","","","","","0.914","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008999","7.3471","0.001","7.933","0.0012","13.663","0.0016","90","","104.662","0.008","90","","770.41","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-6-hydroxypyridinium Chloride Hydrate","","- C5 H7 Cl2 N O2 -","- C5 H7 Cl2 N O2 -","- C20 H28 Cl8 N4 O8 -","4","1","BM1350","Freytag, Matthias; Jones, Peter G.","2-Chloro-6-hydroxypyridinium chloride hydrate","Acta Crystallographica Section C","1999","55","10","1682","1685","10.1107/S0108270199008045","","","0.71073","MoKα","","0.046","0.028","","","","0.065","","","","","","0.885","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2009000","12.321","0.009","12.321","0.009","12.321","0.009","90","","90","","90","","1870","2","300","2","300","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Garnet","","","- Ca3 Fe2 Ge3 O12 -","- Ca3 Fe2 Ge3 O12 -","- Ca24 Fe16 Ge24 O96 -","8","0.0833333","BR1247","Lévy, David; Barbier, Jacques","Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~, Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~","Acta Crystallographica Section C","1999","55","10","1611","1614","10.1107/S0108270199007854","","","0.71073","MoKα","","0.044","0.03","","","","0.068","","","","","","1.253","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009001","12.8059","0.0008","12.8059","0.0008","12.8059","0.0008","90","","90","","90","","2100.1","0.2","299","2","299","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Garnet","","","- Ca3 Ge3 O12 Y2 -","- Ca3 Ge3 O12 Y2 -","- Ca24 Ge24 O96 Y16 -","8","0.0833333","BR1247","Lévy, David; Barbier, Jacques","Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~, Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~","Acta Crystallographica Section C","1999","55","10","1611","1614","10.1107/S0108270199007854","","","0.71073","MoKα","","0.05","0.031","","","","0.087","","","","","","1.179","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009002","12.2489","0.0012","12.2489","0.0012","12.2489","0.0012","90","","90","","90","","1837.8","0.3","299","2","299","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Garnet","","","- Ge3 Mg3 O12 Y2 -","- Ge3 Mg2.99 O12 Y2.01 -","- Ge24 Mg23.92 O96 Y16.08 -","8","0.0833333","BR1247","Lévy, David; Barbier, Jacques","Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~, Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~","Acta Crystallographica Section C","1999","55","10","1611","1614","10.1107/S0108270199007854","","","0.71073","MoKα","","0.058","0.032","","","","0.075","","","","","","1.187","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009003","9.7378","0.0005","14.9883","0.0007","15.4828","0.001","90","","100.244","0.005","90","","2223.7","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichloro[(cyclopentadienyl)tris(dimethylphosphito-P) cobalt-O,O',O'']oxomolybdenum(V)","","- C11 H23 Cl2 Co Mo O10 P3 -","- C11 H23 Cl2 Co Mo O10 P3 -","- C44 H92 Cl8 Co4 Mo4 O40 P12 -","4","1","CF1313","Roh, Soo-Gyun; Jeong, Jong Hwa","Dichloro[(cyclopentadienyl)tris(dimethylphosphito-<i>P</i>)cobalt(III)-<i>O</i>,<i>O</i>',<i>O</i>'']oxomolybdenum(V)","Acta Crystallographica Section C","1999","55","10","1658","1660","10.1107/S0108270199008781","","","0.71073","MoKα","","0.046","0.039","","","","0.108","","","","","","1.08","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009004","21.148","0.002","5.16","0.002","4.94","0.001","90","","96.69","0.01","90","","535.4","0.2","298.2","","298.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","1,10-decanediol","","","- C10 H22 O2 -","- C10 H22 O2 -","- C20 H44 O4 -","2","0.5","CF1316","Nakamura, Naotake; Sato, Taketoshi","1,10-Decanediol","Acta Crystallographica Section C","1999","55","10","1685","1687","10.1107/S0108270199008318","","","1.5418","CuKα","","0.0607","0.0391","","0.0731","","0.0626","","","1.359","","","1.399","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009005","8.6829","0.0013","10.751","0.0016","14.42","0.002","88.617","0.013","80.841","0.011","73.689","0.011","1275.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dibromo[1,3-propanediylbis(diphenylphosphine)-P,P']palladium(II)","","- C27 H26 Br2 P2 Pd -","- C27 H26 Br2 P2 Pd -","- C54 H52 Br4 P4 Pd2 -","2","1","CF1318","José M. Vila; Juan M. Ortigueira; Margarita López; Jesus J. Fernández; Alberto Fernández","Dibromo[propane-1,3-diylbis(diphenylphosphine)-<i>P</i>,<i>P</i>']palladium(II)","Acta Crystallographica Section C","1999","55","10","1646","1647","10.1107/S0108270199008306","","","0.71073","MoKα","","0.137","0.039","","","","0.095","","","","","","0.985","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009006","12.1685","0.0019","13.724","0.002","13.315","0.003","90","","114.792","0.009","90","","2018.7","0.6","220","0.2","220","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","7-Phenyl-1,2,3,4,-tetrahydro-1,4-diazepin-5-one","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C88 H96 N16 O8 -","8","1","CF1321","Clark, Bernard A. J.; Evans, Matthew C.; Lloyd, Douglas; McNab, Hamish; Parsons, Simon","7-Phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,4-diazepin-5-one","Acta Crystallographica Section C","1999","55","10","1725","1727","10.1107/S010827019900832X","","","0.71073","MoKα","","0.047","0.034","","","","0.089","","","","","","1.048","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009007","10.58","0.01","16.1","0.02","13.954","0.01","90","","100.97","0.01","90","","2333","4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-diphenyl- 4-(P-Me-phenyl)- spiro pyrazoline [ 5.2']-1'tetralone.","","- C31 H26 N2 O -","- C31 H26 N2 O -","- C124 H104 N8 O4 -","4","1","FG1522","R. Krishna; D. Velmurugan; R. Murugesan; M. Shanmuga Sundaram; R. Raghunathan","1',2',3',4'-Tetrahydro-1,3-diphenyl-4-<i>p</i>-tolylspiro[2-pyrazoline-5,2'-naphthalen]-1'-one","Acta Crystallographica Section C","1999","55","10","1676","1677","10.1107/S0108270199007283","","","1.54178","CuKα","","0.0851","0.0632","","","","0.1648","","","","","","1.099","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009008","8.626","0.002","6.5402","0.0012","14.524","0.004","90","","100.21","0.03","90","","806.4","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-O-benzyl-2,3-O-isopropylidene-α-L-rhamnopyranose","","- C16 H22 O5 -","- C16 H22 O5 -","- C32 H44 O10 -","2","1","FG1535","Eriksson, Lars; Söderman, Peter; Widmalm, Göran","4-<i>O</i>-Benzyl-2,3-<i>O</i>-isopropylidene-α-<small>L</small>-rhamnopyranose","Acta Crystallographica Section C","1999","55","10","1736","1738","10.1107/S0108270199008203","","","0.71073","MoKα","","0.201","0.065","","0.112","","0.081","","","0.715","","","0.715","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009009","9.7491","0.0006","10.0291","0.0006","11.1681","0.0005","85.297","0.004","71.869","0.004","61.3013","0.0018","907.28","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","bis((μ^2^-Isopropoxo)-di-isopropoxy-4-Methylphenylimido-vanadium(v))","","- C32 H56 N2 O6 V2 -","- C32 H56 N2 O6 V2 -","- C32 H56 N2 O6 V2 -","1","0.5","FG1541","Lutz, Martin; Hagen, Henk; Schreurs, Antoine M.M.; Spek, Anthony L.; van Koten, Gerard","The twinned structure of the μ-isopropoxidodiisopropoxido(<i>p</i>-tolylimido)vanadium(V) dimer, twin refinement against CCD area-detector data","Acta Crystallographica Section C","1999","55","10","1636","1639","10.1107/S0108270199003728","","","0.71073","MoKα","","0.085","0.07","","","","0.174","","","","","","1.186","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009010","8.1819","0.0006","8.3833","0.0006","8.4079","0.0006","106.244","0.001","94.879","0.001","109.663","0.001","511.06","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Trans-dioxobis(N,N-diethylethylenediamine-N,N')rhenium(V)chloride hydrate (1/3)","","- C12 H38 Cl N4 O5 Re -","- C12 H32 Cl N4 O5 Re -","- C12 H32 Cl N4 O5 Re -","1","0.5","FG1544","Engelbrecht, Hendrik P.; Otto, Stefanus; Roodt, Andreas","<i>trans</i>-Bis(<i>N</i>,<i>N</i>-diethylethylenediamine-<i>N</i>,<i>N</i>')dioxorhenium(V) chloride trihydrate","Acta Crystallographica Section C","1999","55","10","1648","1650","10.1107/S0108270199007507","","","0.71073","MoKα","","0.0188","0.0188","","","","0.0489","","","","","","1.058","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009011","7.105","0.003","8.69","0.003","5.777","0.002","90.65","0.03","106.53","0.03","105.69","0.03","327.7","0.2","173","1","173","1","","","","","","","","5","P -1","-P 1","2","","(E)-N-methyl-1-(methylthio)-2-nitroethenylamine","","- C4 H8 N2 O2 S -","- C4 H8 N2 O2 S -","- C8 H16 N4 O4 S2 -","2","1","FG1546","Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo","`Push–pull' effects in nitroethenamines","Acta Crystallographica Section C","1999","55","10","1692","1698","10.1107/S0108270199006861","","","0.71069","MoKα","","0.043","0.036","","","","0.108","","","","","","1.208","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2009012","11.7761","0.0016","17.172","0.002","6.825","0.004","90","","90","","90","","1380.1","0.8","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-benzoyl-3,3-bis(methylamino)-2-nitrothioacrylamide","","- C12 H14 N4 O3 S -","- C12 H14 N4 O3 S -","- C48 H56 N16 O12 S4 -","4","1","FG1546","Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo","`Push‒pull' effects in nitroethenamines","Acta Crystallographica Section C","1999","55","10","1692","1698","10.1107/S0108270199006861","","","0.71069","MoKα","","0.05","0.033","","","","0.09","","","","","","1.089","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009013","11.9391","0.0008","14.4523","0.0013","10.7398","0.0009","90","","108.93","0.005","90","","1752.9","0.3","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-cinnamoyl-3,3-bis(dimethylamino)-2-nitrothioacrylamide","","- C16 H20 N4 O3 S -","- C16 H20 N4 O3 S -","- C64 H80 N16 O12 S4 -","4","1","FG1546","Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo","`Push‒pull' effects in nitroethenamines","Acta Crystallographica Section C","1999","55","10","1692","1698","10.1107/S0108270199006861","","","0.71069","MoKα","","0.12","0.051","","","","0.14","","","","","","1.01","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2009014","11.922","0.003","17.628","0.003","10.442","0.003","90","","90","","90","","2194.5","0.9","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-methyl N-benzoyl-3-(N-methyl-N-phenylamino)-2-nitro-3- (phenylamino)thioacrylimidate","","- C24 H22 N4 O3 S -","- C24 H22 N4 O3 S -","- C96 H88 N16 O12 S4 -","4","1","FG1546","Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo","`Push‒pull' effects in nitroethenamines","Acta Crystallographica Section C","1999","55","10","1692","1698","10.1107/S0108270199006861","","","0.71069","MoKα","","0.05","0.035","","","","0.085","","","","","","1.023","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2009015","12.82","0.001","5.787","0.001","14.817","0.002","90","","107.93","0.02","90","","1045.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F N O -","- C13 H10 F N O -","- C52 H40 F4 N4 O4 -","4","1","FG1547","Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor","Four <i>N</i>-(2-hydroxybenzylidene)aniline derivatives","Acta Crystallographica Section C","1999","55","10","1707","1710","10.1107/S0108270199008239","","","0.71073","MoKα","","0.0551","0.0374","","0.1099","","0.0961","","","1.003","","","1.033","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2009016","5.647","0.001","7.977","0.002","29.197","0.004","90","","90.63","0.02","90","","1315.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C56 H40 F12 N4 O8 -","4","1","FG1547","Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor","Four <i>N</i>-(2-hydroxybenzylidene)aniline derivatives","Acta Crystallographica Section C","1999","55","10","1707","1710","10.1107/S0108270199008239","","","0.71073","MoKα","","0.1241","0.069","","0.2369","","0.189","","","1.036","","","1.154","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009017","27.419","0.007","6.901","0.002","6.137","0.001","90","","95.57","0.02","90","","1155.8","0.5","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","FG1547","Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor","Four <i>N</i>-(2-hydroxybenzylidene)aniline derivatives","Acta Crystallographica Section C","1999","55","10","1707","1710","10.1107/S0108270199008239","","","0.71073","MoKα","","0.0394","0.034","","0.095","","0.0905","","","1.117","","","1.129","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009018","12.413","0.002","5.744","0.002","15.597","0.003","90","","97.69","0.02","90","","1102.1","0.5","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","FG1547","Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor","Four <i>N</i>-(2-hydroxybenzylidene)aniline derivatives","Acta Crystallographica Section C","1999","55","10","1707","1710","10.1107/S0108270199008239","","","0.71073","MoKα","","0.0693","0.0481","","0.1493","","0.1244","","","0.866","","","0.849","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009019","6.597","0.001","11.468","0.001","11.103","0.001","90","","91.9","0.01","90","","839.53","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-3-Oxoandrosta-1,4-diene-17β-carboxylic Acid","","- C20 H26 O3 -","- C20 H26 O3 -","- C40 H52 O6 -","2","1","FG1554","Thompson, Hugh W.; Lalancette, Roger A.; Brunskill, Andrew P. J.","(+)-3-Oxoandrosta-1,4-diene-17β-carboxylic acid: catemeric hydrogen bonding in a steroidal keto acid","Acta Crystallographica Section C","1999","55","10","1680","1682","10.1107/S0108270199007519","","","0.71073","MoKα","","0.09","0.05","","","","0.099","","","","","","1.02","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009020","8.885","0.003","10.2996","0.0019","8.5543","0.0015","111.952","0.011","98.61","0.03","103.04","0.03","683.2","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","1,2-Dihydro-1,6-dihydroxy-2-(2-methoxy-6-pyridyl)-2,3,1-benzodiazaborine","","- C13 H14 B N3 O4 -","- C13 H14 B N3 O4 -","- C26 H28 B2 N6 O8 -","2","1","FG1557","Robinson, Paul D.; Groziak, Michael P.","A boron-containing estrogen mimic","Acta Crystallographica Section C","1999","55","10","1701","1704","10.1107/S0108270199007520","","","0.71069","MoKα","","0.067","0.036","","","","0.118","","","","","","1.029","","","","has coordinates,has disorder","301791","2025-08-18","23:15:33",""
"2009021","7.6535","0.0009","10.8255","0.001","7.4067","0.0009","92.436","0.01","117.023","0.008","81.61","0.009","540.62","0.11","296","","296","","","","","","","","","4","P -1","-P 1","2","","6,7,8,9-Tetrahydro-3-methyl-1H-pyrano[4,3-b]quinoline-1-one","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C26 H26 N2 O4 -","2","1","FG1560","Hua, Duy H.; Chen, Yi; Sin, Hong-Sig; Robinson, Paul D.; Meyers, Cal Y.; Perchellet, Elisabeth M.; Perchellet, Jean-Pierre; Chiang, Peter K.; Biellmann, Jean-Francois","6,7,8,9-Tetrahydro-3-methyl-1<i>H</i>-pyrano[4,3-<i>b</i>]quinolin-1-one","Acta Crystallographica Section C","1999","55","10","1698","1701","10.1107/S0108270199007301","","","0.71069","MoKα","","0.125","0.038","","","","0.127","","","","","","1.02","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009022","15.4891","0.0014","12.2319","0.0009","18.2654","0.0018","90","","97.694","0.007","90","","3429.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Cd N6 O6 S4 -","- C24 H44 Cd N6 O6 S4 -","- C96 H176 Cd4 N24 O24 S16 -","4","1","FR1179","Bernès, Sylvain; Aguilar, Julio César; Rodríguez de San Miguel Guerrero, Eduardo; Nuñez Gaytán, María Elena; De Gyves, Josefina","Complexation of ω-thiocaprolactam with heavy metals: terminal and bridging coordination modes in cadmium and silver compounds","Acta Crystallographica Section C","1999","55","10","1627","1631","10.1107/S0108270199005569","","","0.71073","MoKα","","0.166","0.0672","","","0.1447","0.1903","","","","","","1.016","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009023","14.3913","0.0014","11.0072","0.0011","22.163","0.002","90","","100.898","0.007","90","","3447.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H88 Ag4 N12 O12 S8 -","- C48 H88 Ag4 N12 O12 S8 -","- C96 H176 Ag8 N24 O24 S16 -","2","0.5","FR1179","Bernès, Sylvain; Aguilar, Julio César; Rodríguez de San Miguel Guerrero, Eduardo; Nuñez Gaytán, María Elena; De Gyves, Josefina","Complexation of ω-thiocaprolactam with heavy metals: terminal and bridging coordination modes in cadmium and silver compounds","Acta Crystallographica Section C","1999","55","10","1627","1631","10.1107/S0108270199005569","","","0.71073","MoKα","","0.1097","0.0556","","","0.1084","0.1295","","","","","","1.01","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009024","7.4127","0.0008","10.1982","0.0017","10.8971","0.0011","85.969","0.011","74.899","0.008","78.473","0.012","779.15","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C38 H36 N4 O2 -","2","1","FR1194","Aygün, Muhittin; Işık, Şamil; Turgut, Zuhal; Özbey, Süheyla; Kendi, Engin","4-Ethoxy-<i>N</i>-(6-methylquinolin-2-ylmethylene)aniline","Acta Crystallographica Section C","1999","55","10","1689","1690","10.1107/S0108270199007878","","","0.7107","MoKα","","0.0717","0.0455","","","","0.1158","","","","","","0.933","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009025","10.588","0.001","12.547","0.001","28.989","0.002","90","","90","","90","","3851.1","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-23,24-Dinor-3α,9α-epoxy-11-oxo-5β-cholan-22-oic Acid","","- C22 H32 O4 -","- C22 H32 O4 -","- C176 H256 O32 -","8","2","FR1199","Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A.","(+)-23,24-Dinor-3α,9α-epoxy-11-oxo-5β-cholan-22-oic acid: mutual carboxyl-to-ether dimeric hydrogen bonding in a steroidal carboxy–keto ether","Acta Crystallographica Section C","1999","55","10","1677","1680","10.1107/S0108270199006411","","","1.5418","CuKα","","0.062","0.051","","","","0.133","","","","","","1.03","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009026","11.138","0.002","18.801","0.004","19.121","0.004","90","","90","","90","","4004","1.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(μ-acetato)-2,6-bis[(2-hydroxybenzyl)(2-pyridylmethyl)aminomethyl)- 4-methylphenolato)-di-indium(III) Nitrate DihydratE","","- C39 H43 In2 N5 O12 -","- C39 H43 In2 N5 O12 -","- C156 H172 In8 N20 O48 -","4","0.5","GD1031","Bortoluzzi, Adailton J.; Neves, Ademir; Vencato, Ivo; Zucco, Cesar; Hörner, Manfredo","Bis(μ-acetato){μ-2,6-bis[(2-hydroxybenzyl)-(2-pyridylmethyl)aminomethyl]-4-methylphenolato}diindium(III) nitrate dihydrate","Acta Crystallographica Section C","1999","55","10","1634","1636","10.1107/S0108270199008252","","","0.71073","MoKα","","0.073","0.036","","","","0.107","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009027","6.8848","0.0008","13.7645","0.001","29.628","0.002","90","0.006","90","0.008","90","0.008","2807.7","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Formyl-3-hydroxy-18Hβ-olean-2,12-dien-28-oic acid methyl ester","","- C32 H48 O4 -","- C32 H48 O4 -","- C128 H192 O16 -","4","1","JZ1350","Gzella, Andrzej","Triterpenoide. XVI. 2-Formylderivate des Oleanonsäure-methylesters und <i>Allo</i>-betulons","Acta Crystallographica Section C","1999","55","10","1730","1733","10.1107/S0108270199007714","","","1.54178","CuKα","","0.0444","0.0336","","","","0.097","","","","","","1.05","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009028","6.6351","0.0008","12.7178","0.001","15.6807","0.0014","90","0.007","95","0.009","90","0.009","1318.2","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-Formyl-19β,28-epoxy-3-hydroxy-18Hα-olean-2-ene","","- C31 H48 O3 -","- C31 H48 O3 -","- C62 H96 O6 -","2","1","JZ1350","Gzella, Andrzej","Triterpenoide. XVI. 2-Formylderivate des Oleanonsäure-methylesters und <i>Allo</i>-betulons","Acta Crystallographica Section C","1999","55","10","1730","1733","10.1107/S0108270199007714","","","1.54178","CuKα","","0.053","0.0368","","","","0.1097","","","","","","1.049","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009029","8.3779","0.0005","10.7496","0.0008","8.3805","0.0005","90","","101.099","0.006","90","","740.62","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(7S)-(7α,7aα,14α,14aβ)-1,3,4,7,7a,8,9,10,11,13,14,14a-Dodecahydro-7,14- methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-5-ium bromide","","- C15 H27 Br N2 -","- C15 H27 Br N2 -","- C30 H54 Br2 N4 -","2","1","KA1317","Alessandra Farina; Stefano Valdo Meille; Maria Teresa Messina; Pierangelo Metrangolo; Giuseppe Resnati","(–)-Sparteinium bromide","Acta Crystallographica Section C","1999","55","10","1710","1711","10.1107/S0108270199008185","","","1.54178","CuKα","","0.091","0.079","","","","0.228","","","","","","1.099","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2009030","21.432","0.004","8.158","0.001","9.515","0.002","90","","92.95","0.02","90","","1661.4","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Br2 Cu N2 O2 -","- C17 H14 Br2 Cu N2 O2 -","- C68 H56 Br8 Cu4 N8 O8 -","4","0.5","LN1075","Kabak, Mehmet; Elmali, Ayhan; Kavlakoǧlu, Ebru; Elerman, Yalc̨ın; Durlu, T. Nuri","[<i>N</i>,<i>N</i>'-Bis(5-bromosalicylidene)-1,3-diaminopropane]copper(II)","Acta Crystallographica Section C","1999","55","10","1650","1652","10.1107/S0108270199008331","","","0.71069","MoKα","","0.128","0.052","","","","0.154","","","","","","1.16","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009031","11.848","0.002","7.9903","0.0015","18.29","0.007","90","","95.59","0.03","90","","1723.3","0.8","293","3","293","3","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","[Benzoylacetone S-methylisothiosemicarbazonato(2-)]pyridinenickel(II)","","- C17 H18 N4 Ni O S -","- C17 H18 N4 Ni O S -","- C68 H72 N16 Ni4 O4 S4 -","4","1","NA1411","Bogdanović, Goran A.; Spasojević-de Biré, Anne; Leovac, Vukadin M.; Češljević, Valerija I.","Transition metal complexes with thiosemicarbazide-based ligands. XXXIX. [Benzoylacetone 3-methylisothiosemicarbazonato(2 –)-<i>O</i>,<i>N</i>^1^,<i>N</i>^4^](pyridine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1999","55","10","1656","1658","10.1107/S0108270199004746","","","0.71073","MoKα","","0.077","0.033","","0.101","","0.09","","","1.021","","","1.194","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009032","9.6808","0.0001","11.4468","0.0002","19.8557","0.0001","100.047","0.001","95.804","0.001","90.318","0.001","2154.84","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-amino-4-(4-methoxyphenyl)-2-phenyl-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile","","- C26 H23 N5 O -","- C26 H23 N5 O -","- C104 H92 N20 O4 -","4","2","NA1423","R.Sankaranarayanan; S.Shanmuga Sundara Raj; D.Velmurugan; Hoong-Kun Fun; V.Raghukumar; V.T.Ramakrishnan","5-Amino-4-(4-methoxyphenyl)-2-phenyl-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile","Acta Crystallographica Section C","1999","55","10","1670","1672","10.1107/S0108270199007829","","","0.71073","MoKα","","0.1071","0.0622","","","","0.1603","","","","","","1.084","","","","has coordinates","303291","2025-11-13","08:09:35",""
"2009033","7.5352","0.0011","9.2242","0.0012","23.1197","0.0013","90","","90","","90","","1607","0.3","293","2","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","","","- C17 H18 Cu N2 O3 -","- C17 H18 Cu N2 O3 -","- C68 H72 Cu4 N8 O12 -","4","0.5","NA1424","Arıcı, Cengiz; Ercan, Filiz; Atakol, Orhan; Cakırer, Orhan","Aqua[<i>N</i>,<i>N</i>'-bis(salicylidene)-1,3-propanediaminato]copper(II)","Acta Crystallographica Section C","1999","55","10","1654","1655","10.1107/S010827019900894X","","","0.71073","MoKα","","","0.046","","","","0.063","","","","","","1.07","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009034","9.0587","0.0002","10.2616","0.0002","10.3295","0.0002","79.104","0.001","64.898","0.001","65.456","0.001","790.85","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","N-methyl-[o-iodo-p-chloro phenyl]cinnamamide","","- C16 H13 Cl I N O -","- C16 H13 Cl I N O -","- C32 H26 Cl2 I2 N2 O2 -","2","1","NA1426","S. Renganayaki; E. Subramanian; S. Shanmuga Sundara Raj; Hoong-Kun Fun","<i>N</i>-(4-Chloro-2-iodophenyl)-<i>N</i>-methylcinnamamide","Acta Crystallographica Section C","1999","55","10","1672","1673","10.1107/S010827019900791X","","","0.71073","MoKα","","0.048","0.041","","","","0.114","","","","","","1.042","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009035","9.608","0.001","10.742","0.001","14.468","0.001","107.121","0.001","102.757","0.001","104.349","0.001","1311.1","0.2","298","","","","","","","","","","","5","P 1","P 1","1","","","","- C62 H66 N8 O2 Si -","- C62 H66 N8 O2 Si -","- C62 H66 N8 O2 Si -","1","1","NA1427","Decréau, Richard; Julliard, Michel; Giorgi, Michel","Bis(<i>epi</i>-globulyloxy)(phthalocyaninato)silicon, a new photosensitizer for the photodynamic therapy of cancer","Acta Crystallographica Section C","1999","55","10","1717","1719","10.1107/S0108270199008677","","","0.71073","MoKα","","","0.062","","","","0.114","","","","","","1.0181","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009036","8.8298","0.0003","9.6918","0.0003","10.5786","0.0003","97.81","0.001","111.192","0.001","105.25","0.001","787.04","0.04","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Dichlorobis(dimethylformamide-O)bis(4-nitrobenzaldehyde thiosemicarbazone-S) cadmium(II)","","- C22 H30 Cd Cl2 N10 O6 S2 -","- C22 H30 Cd Cl2 N10 O6 S2 -","- C22 H30 Cd Cl2 N10 O6 S2 -","1","0.5","NA1428","Yu-Peng Tian; Jie-Ying Wu; Fu-Xin Xie; S. Shanmuga Sundara Raj; Ping Yang; Hoong-Kun Fun","Dichlorobis(dimethylformamide-<i>O</i>)bis(4-nitrobenzaldehyde thiosemicarbazone-<i>S</i>)cadmium(II)","Acta Crystallographica Section C","1999","55","10","1641","1644","10.1107/S010827019900815X","","","0.71073","MoKα","","0.025","0.024","","","","0.064","","","","","","1.037","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009037","14.577","0.003","10.875","0.002","23.985","0.005","90","","90.4","0.05","90","","3802.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraphenylarsonium diazotriphenylstannate.","","- C42 H35 As N6 Sn -","- C42 H35 As N6 Sn -","- C168 H140 As4 N24 Sn4 -","4","1","NA1430","Franco Benetollo; Gabriella Bombieri; Giuseppe Alonzo; Nuccio Bertazzi","Tetraphenylarsonium diazidotriphenylstannate","Acta Crystallographica Section C","1999","55","10","1664","1665","10.1107/S0108270199008951","","","0.71073","MoKα","","0.0647","0.0503","","","","0.1279","","","","","","1.29","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009038","6.629","0.001","16.35","0.001","5.328","0.001","95.78","0.02","109.9","0.02","80.3","0.02","534.64","0.15","297","","","","","","","","","","","3","P -1","-P 1","2","","4-Methylbicyclo[6.3.0]undecane-2,6-dione","","- C12 H18 O2 -","- C12 H18 O2 -","- C24 H36 O4 -","2","1","OA1088","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1999","55","10","1721","1725","10.1107/S0108270199007088","","","0.71073","MoKα","","","0.058","","","","0.069","","","","","","1.05","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009039","7.442","0.001","14.747","0.003","5.586","0.002","92.84","0.02","101.39","0.02","87.87","0.02","600","0.3","298","","","","","","","","","","","4","P -1","-P 1","2","","7-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione","","- C12 H17 Br O2 -","- C12 H17 Br O2 -","- C24 H34 Br2 O4 -","2","1","OA1088","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1999","55","10","1721","1725","10.1107/S0108270199007088","","","0.71073","MoKα","","","0.042","","","","0.049","","","","","","1.07","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009040","11.331","0.004","13.315","0.002","9.298","0.002","101.44","0.01","105.67","0.02","77.15","0.02","1302.5","0.6","297","","","","","","","","","","","3","P -1","-P 1","2","","8-Methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","2","OA1088","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1999","55","10","1721","1725","10.1107/S0108270199007088","","","0.71073","MoKα","","","0.052","","","","0.058","","","","","","1","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009041","7.874","0.002","21.134","0.003","9.22","0.003","90","","114","0.02","90","","1401.6","0.6","297","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7-Acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","OA1088","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1999","55","10","1721","1725","10.1107/S0108270199007088","","","0.71073","MoKα","","","0.053","","","","0.063","","","","","","1.07","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009042","8.668","0.004","18.944","0.002","18.196","0.001","90","","90","","90","","2987.9","1.4","296.2","","296.2","","","","","","","","","6","P b c m","-P 2c 2b","57","","tetrakis(isopropylthio)-p-benzoquinonesilver(I) perchlorate","","- C21 H34 Ag Cl O7 S4 -","- C21 H34 Ag Cl O7 S4 -","- C84 H136 Ag4 Cl4 O28 S16 -","4","0.5","OB1009","Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Munakata, Megumu","A linear-chain silver(I) coordination polymer with tetrakis(isopropylthio)-<i>p</i>-benzoquinone","Acta Crystallographica Section C","1999","55","10","1623","1625","10.1107/S0108270199005624","","","0.7107","MoKα","","0.193","0.0698","","","","0.1899","","","","","","1.02","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009043","4.976","0.001","5.1968","0.0008","27.955","0.003","90","","93.82","0.01","90","","721.3","0.2","298.2","","298.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetradecane-1,14-diol","","","- C14 H30 O2 -","- C14 H30 O2 -","- C28 H60 O4 -","2","0.5","OB1010","Naotake Nakamura; Taketoshi Sato","1,14-Tetradecanediol","Acta Crystallographica Section C","1999","55","10","1687","1689","10.1107/S0108270199008112","","","1.5418","CuKα","","0.056","0.05","","0.109","","0.097","","","1.8","","","1.77","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009044","3.952","0.001","19.95","0.01","9.551","0.004","90","","96.6","0.03","90","","748","0.5","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 N4 O4 -","- C14 H10 Cl2 N4 O4 -","- C28 H20 Cl4 N8 O8 -","2","0.5","OB1011","Ishida, Hiroyuki; Kashino, Setsuo","1:2 Complexes of chloranilic acid with pyrimidine and pyrazine","Acta Crystallographica Section C","1999","55","10","1714","1717","10.1107/S010827019900709X","","","0.71073","MoKα","","0.048","0.045","","0.091","","0.083","","","1.65","","","1.65","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009045","3.8283","0.0007","18.514","0.005","10.795","0.003","90","","94.48","0.02","90","","762.8","0.3","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl2 N4 O4 -","- C14 H10 Cl2 N4 O4 -","- C28 H20 Cl4 N8 O8 -","2","0.5","OB1011","Ishida, Hiroyuki; Kashino, Setsuo","1:2 Complexes of chloranilic acid with pyrimidine and pyrazine","Acta Crystallographica Section C","1999","55","10","1714","1717","10.1107/S010827019900709X","","","0.71073","MoKα","","0.117","0.065","","0.092","","0.061","","","1.37","","","1.37","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009046","5.29","0.004","18.214","0.006","6.781","0.003","90","","111.66","0.04","90","","607.2","0.6","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sodium hydrogen trans-1-propene-1,3-dicarboxylate","","- C5 H5 Na O4 -","- C5 H5 Na O4 -","- C20 H20 Na4 O16 -","4","1","OB1012","Taka, Jun-ichiro; Kashino, Setsuo","Sodium hydrogen <i>trans</i>-glutaconate and ammonium hydrogen <i>trans</i>-glutaconate","Acta Crystallographica Section C","1999","55","10","1620","1623","10.1107/S0108270199008458","","","0.71073","MoKα","","","0.069","","","","0.06","","","","","","1.14","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009047","10.669","0.005","18.479","0.006","7.28","0.006","90","","90","","90","","1435.3","1.4","295","","","","","","","","","","","4","I b a m","-I 2 2c","72","","Ammonium hydrogen trans-1-propene-1,3-dicarboxylate","","- C5 H9 N O4 -","- C5 H9 N O4 -","- C40 H72 N8 O32 -","8","0.5","OB1012","Taka, Jun-ichiro; Kashino, Setsuo","Sodium hydrogen <i>trans</i>-glutaconate and ammonium hydrogen <i>trans</i>-glutaconate","Acta Crystallographica Section C","1999","55","10","1620","1623","10.1107/S0108270199008458","","","0.71073","MoKα","","","0.077","","","","0.067","","","","","","1.51","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009048","9.152","0.001","20.886","0.001","9.555","0.001","90","","97.57","0.01","90","","1810.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H28 N2 O7 Pt -","- C14 H28 N2 O7 Pt -","- C56 H112 N8 O28 Pt4 -","4","1","OB1013","Yuge, Hidetaka; Miyamoto, Takeshi Ken","Bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(ethylenediamine-<i>N</i>,<i>N</i>')platinum(II) trihydrate and bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(<i>N</i>,<i>N</i>-dimethylethylenediamine-<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","1999","55","10","1617","1620","10.1107/S0108270199008069","","","0.71069","MoKα","","0.041","0.025","","","","0.058","","","","","","1.037","","","","has coordinates,has disorder","301791","2025-08-18","23:15:33",""
"2009049","12.63","0.003","14.938","0.003","9.276","0.001","90","","90","","90","","1750.1","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O4 Pt -","- C16 H26 N2 O4 Pt -","- C64 H104 N8 O16 Pt4 -","4","1","OB1013","Yuge, Hidetaka; Miyamoto, Takeshi Ken","Bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(ethylenediamine-<i>N</i>,<i>N</i>')platinum(II) trihydrate and bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(<i>N</i>,<i>N</i>-dimethylethylenediamine-<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","1999","55","10","1617","1620","10.1107/S0108270199008069","","","0.71069","MoKα","","0.036","0.029","","","","0.068","","","","","","1.021","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009050","8.9499","0.0012","9.2513","0.0009","8.6473","0.0011","115.764","0.008","99.704","0.011","98.247","0.011","616.35","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H34 Al2 N6 O16 P4 -","- C8 H34 Al2 N6 O16 P4 -","- C8 H34 Al2 N6 O16 P4 -","1","0.5","OH1114","Sugiyama, Kazumasa; Hiraga, Kenji; Yu, Jihong; Zheng, Shan; Qiu, Shilun; Xu, Ruren; Terasaki, Osamu","A one-dimensionally extended chain aluminophosphate","Acta Crystallographica Section C","1999","55","10","1615","1617","10.1107/S0108270199000360","","","0.71069","MoKα","","0.0674","0.0428","","","","0.1033","","","","","","1.04","","","","has coordinates","249787","2020-10-21","18:00:00",""
"2009051","8.0257","0.0001","25.8793","0.0003","12.1196","0.0001","90","","94.7901","0.0002","90","","2508.44","0.05","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-Chloroethyl)diisopropylammonium Tetrachlorocobaltate(II)","","- C16 H38 Cl6 Co N2 -","- C16 H38 Cl6 Co N2 -","- C64 H152 Cl24 Co4 N8 -","4","1","OS1065","Mahmoudkhani, Amir H.; Langer, Vratislav","Bis[(2-chloroethyl)diisopropylammonium] tetrachlorocobaltate(II)","Acta Crystallographica Section C","1999","55","10","1631","1634","10.1107/S0108270199007362","","","0.71073","MoKα","","0.07","0.045","","","","0.111","","","","","","1.021","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009052","7.4986","0.0015","11.574","0.002","20.032","0.004","90","","90","","90","","1738.6","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Hedychenone","4-[2-(3-furanyl)ethenyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethyl- 1(4H)-naphthalenone (Chem. Abs. name)","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","1","QA0128","Liu, Xiu-Hua; Wang, Wenling; He, Zhen-Dan; Wang, Han-Qing; Yang, Chong-Ren; Chen, Bosen","Hedychenone from <i>Hedychium Yunnanense</i> Gagnep","Acta Crystallographica Section C","1999","55","10","IUC9900129","","10.1107/S0108270199098649","","","0.71073","MoKα","","0.066","0.059","","","","0.155","","","","","","1.106","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009053","7.255","0.001","10.741","0.002","11.115","0.002","90","","100.142","0.014","90","","852.6","0.3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H16 Na2 O20 P4 Zn -","- H16 Na2 O20 P4 Zn -","- H32 Na4 O40 P8 Zn2 -","2","0.5","QA0160","Harrison, William T. A.","A sodium zinc phosphate hydrate, Na~2~Zn(H~2~PO~4~)~4~^.^4H~2~O","Acta Crystallographica Section C","1999","55","10","IUC9900113","","10.1107/S0108270199098789","","","0.71073","MoKα","","","0.038","","","","0.035","","","","","","1.05","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009054","7.6438","0.0013","7.848","0.0009","7.9642","0.0015","64.561","0.014","84.822","0.014","72.443","0.013","410.91","0.13","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- H5 K O9 P2 Zn -","- H5 K O9 P2 Zn -","- H10 K2 O18 P4 Zn2 -","2","1","QA0161","Harrison, William T. A.","A potassium zinc phosphate hydrate, KZn(HPO~4~)(H~2~PO~4~)^.^H~2~O","Acta Crystallographica Section C","1999","55","10","IUC9900112","","10.1107/S0108270199098790","","","0.71073","MoKα","","","0.024","","","","0.032","","","","","","0.881","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009055","6.847","0.005","8.708","0.005","18.055","0.005","78.87","0.05","86.27","0.05","76.58","0.05","1027.2","1","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","3-(Triphenylstannyl)propyl ethanoate","","- C23 H24 O2 Sn -","- C23 H24 O2 Sn -","- C46 H48 O4 Sn2 -","2","1","QA0165","Low, John Nicolson; Ferguson, George; Wardell, James L.","3-(Triphenylstannyl)propyl ethanoate","Acta Crystallographica Section C","1999","55","10","IUC9900117","","10.1107/S010827019909873X","","","0.7107","MoKα","","0.023","0.018","","","","0.058","","","","","","0.905","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009056","9.929","0.003","8.895","0.002","14.482","0.004","90","","90","","90","","1279","0.6","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C12 H12 O8 -","- C12 H12 O8 -","- C48 H48 O32 -","4","0.5","QA0166","Foxon, Simon P.; Semlyen, J. Anthony; Wood, Barry R.","A cyclic dimer of ethyleneglycol maleate","Acta Crystallographica Section C","1999","55","10","IUC9900115","","10.1107/S0108270199098704","","","0.7107","MoKα","","0.0571","0.0361","","","","0.1085","","","","","","1.005","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009057","7.5729","0.0002","9.0936","0.0002","11.3877","0.0003","90","","96.193","0.001","90","","779.64","0.03","175","2","175","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,5-dichloro-2-nitroaniline","","- C6 H4 Cl2 N2 O2 -","- C6 H4 Cl2 N2 O2 -","- C24 H16 Cl8 N8 O8 -","4","1","QA0168","Britton, Doyle","4,5-Dichloro-2-nitroaniline","Acta Crystallographica Section C","1999","55","10","IUC9900116","","10.1107/S0108270199098698","","","0.71073","MoKα","","0.056","0.045","","0.112","","0.107","","","1.09","","","1.12","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009058","11.986","0.0017","7.035","0.0011","11.1186","0.0017","90","","97.727","0.003","90","","929","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-methyl-(3R)-hydroxymethyl-cyclohexene-(4S)-carbolactone-(5S)-carboxylic acid","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","QA0169","Brewster, Matthew A.; Carducci, Michael D.; Rainier, Jon D.","The Diels‒Alder adduct (3a<i>S</i>,7a<i>R</i>,4<i>S</i>)-1,3,3a,-4,5,7a-hexahydro-7-methyl-3-oxoisobenzofuran-4-carboxylic acid","Acta Crystallographica Section C","1999","55","10","IUC9900126","","10.1107/S0108270199098674","","","0.71073","MoKα","","0.108","0.045","","","","0.117","","","","","","0.852","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009059","11.5244","0.0002","19.1647","0.0003","24.8355","0.0001","90","","90","","90","","5485.21","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Spiro Pyrazolidine [5.3] 4'-Flavanone.","","- C35 H26 N2 O2 -","- C35 H26 N2 O2 -","- C280 H208 N16 O16 -","8","1","QA0170","Krishna, R.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Fun, Hoong-Kun; Manikandan, S.; Raghunathan, R.","2,4,5-Triphenylspiro[pyrazolidine-3,3'-(4'-flavanone)]","Acta Crystallographica Section C","1999","55","10","IUC9900120","","10.1107/S0108270199098662","","","0.71073","MoKα","","0.085","0.055","","","","0.128","","","","","","1.131","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009060","10.112","0.002","19.144","0.007","10.511","0.003","90","","118.35","0.02","90","","1790.7","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[μ-chloro-tricarbonyl(dicyclohexylphosphine)rhenium]","","- C30 H46 Cl2 O6 P2 Re2 -","- C30 H46 Cl2 O6 P2 Re2 -","- C60 H92 Cl4 O12 P4 Re4 -","2","0.5","QA0171","Flörke, Ulrich","Di-μ-chloro-bis[tricarbonyl(dicyclohexylphosphine)rhenium]","Acta Crystallographica Section C","1999","55","10","IUC9900119","","10.1107/S0108270199098777","","","0.71073","MoKα","","0.044","0.025","","","","0.054","","","","","","1.042","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009061","19.75","0.003","19.75","0.003","12.24","0.002","90","","90","","120","","4134.7","1.1","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","Hexa-tetraethylammonium di-υ~3~iodo-triυ~4~-iodohexkis(iodosilver(I)), (Et~4~N)~6~[Ag~6~I~11~]I","","- C48 H120 Ag6 I12 N6 -","- C48 H120 Ag6 I12 N6 -","- C96 H240 Ag12 I24 N12 -","2","0.166667","QA0172","Zhao, Yingjun; Su, Weiping; Cao, Rong; Hong, Maochun","Hexakis(tetraethylammonium) tri-μ~4~-iodo-di-μ~3~-iodo-hexakis[iodosilver(I)] iodide, (Et~4~ N)~6~[Ag~6~I~11~]I","Acta Crystallographica Section C","1999","55","10","IUC9900122","","10.1107/S0108270199098765","","","0.71073","MoKα","","0.046","0.035","","0.094","","0.092","","","1.139","","","1.224","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2009062","11.1271","0.0012","9.2899","0.001","14.565","0.003","90","","100.573","0.005","90","","1480","0.4","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tert-Butyl (-)-(2S,3S,4S,5R,6S,R~S~)-3-hydroxy-5-(1-{N-[(R)-1-hydroxy-3-methylbut-2-yl]- 4-methylphenylsulfonimidoyl}ethyl)-4-methyl-2-phenylpyrrolidine-1-carboxylate","","- C30 H44 N2 O5 S -","- C30 H44 N2 O5 S -","- C60 H88 N4 O10 S2 -","2","1","QA0173","Bats, Jan W.; Heinrich, Timo; Reggelin, Michael","(–)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>R</i>,<i>R</i>~S~)-1-<i>tert</i>-Butoxycarbonyl-3-hydroxy-5-(1(<i>S</i>)-{<i>N</i>-[(<i>R</i>)-1-hydroxy-3-methylbut-2-yl]-4-methylphenylsulfonimidoyl}ethyl)-4-methyl-2-phenylpyrrolidine at 133K","Acta Crystallographica Section C","1999","55","10","IUC9900114","","10.1107/S0108270199098625","","","0.71073","MoKα","","0.044","0.039","","","","0.107","","","","","","1.45","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2009063","9.314","0.001","12.084","0.001","12.583","0.001","112.804","0.001","108.744","0.001","92.976","0.001","1210.76","0.19","291","1","291","1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N O4 -","- C26 H29 N O4 -","- C52 H58 N2 O8 -","2","1","QA0174","Canisius, Johannes; Schürmann, Markus; Preut, Hans; Krause, Norbert","Ethyl (<i>E</i>)-2-[benzyl(benzyloxycarbonyl)amino]-6,6-dimethylhept-2-en-4-ynoate","Acta Crystallographica Section C","1999","55","10","IUC9900118","","10.1107/S0108270199098686","","","0.71069","MoKα","","0.142","0.038","","","","0.075","","","","","","0.837","","","","has coordinates,has disorder","301791","2025-08-18","23:15:33",""
"2009064","8.1911","0.0003","9.0791","0.0003","19.2164","0.0008","90","","97.7742","0.0019","90","","1415.95","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","5-Methyl-3-(1-oxo-nonyl)-1,3,4-thiadiazole-2(3H)-2-thione","","- C12 H20 N2 O S2 -","- C12 H20 N2 O S2 -","- C48 H80 N8 O4 S8 -","4","1","QA0175","Low, John Nicolson; Cook, Andrew; Imrie, Corrie T.; Wardell, James L.","5-Methyl-3-nonanoyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione and 3-decanoyl-5-methyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","1999","55","10","IUC9900123","","10.1107/S0108270199098716","","","0.71073","MoKα","","0.0784","0.0434","","","","0.1256","","","","","","1.036","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009065","8.0494","0.0007","9.2472","0.0004","20.1232","0.0016","90","","94.709","0.003","90","","1492.8","0.19","150","0.1","150","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","5-Methyl-3-(1-oxo-decyl)-1,3,4-thiadiazole-2(3H)-2-thione","","- C13 H22 N2 O S2 -","- C13 H22 N2 O S2 -","- C52 H88 N8 O4 S8 -","4","1","QA0175","Low, John Nicolson; Cook, Andrew; Imrie, Corrie T.; Wardell, James L.","5-Methyl-3-nonanoyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione and 3-decanoyl-5-methyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","1999","55","10","IUC9900123","","10.1107/S0108270199098716","","","0.71073","MoKα","","0.1175","0.0572","","","","0.1058","","","","","","1.034","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2009066","6.0365","0.0002","17.3779","0.0005","22.679","0.0008","90","","90","","90","","2379.07","0.13","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,5-Bis[(ferrocenylmethyl)thio]-1,3-dithiole-2-thione","","- C25 H22 Fe2 S5 -","- C25 H22 Fe2 S5 -","- C100 H88 Fe8 S20 -","4","1","QA0176","Low, John Nicolson; Chohan, Zahid H.; Howie, R. Alan; Wardell, James L.","4,5-Bis(ferrocenylmethylthio)-1,3-dithiole-2-thione","Acta Crystallographica Section C","1999","55","10","IUC9900124","","10.1107/S0108270199098728","","","0.71073","MoKα","","0.063","0.044","","","","0.115","","","","","","1.17","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009067","9.0696","0.0015","16.809","0.002","9.2603","0.0011","90","","114.804","0.012","90","","1281.5","0.3","134","2","134","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(+)-(2S,3S,4S,5S)-N-(tert-butoxycarbonyl)-3-[3,5-bis-(trifluoromethyl)- phenylmethoxy]-4,5-dimethyl-2-phenyl-pyrrolidine","","- C26 H29 F6 N O3 -","- C26 H29 F6 N O3 -","- C52 H58 F12 N2 O6 -","2","1","QA0178","Bats, Jan W.; Heinrich, Timo; Reggelin, Michael","(+)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>)-3-[3,5-Bis(trifluoromethyl)benzyloxy]-<i>N</i>-(<i>tert</i>-butoxycarbonyl)-4,5-dimethyl-2-phenylpyrrolidine, (I), and (+)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>)-3-[3,5-bis(trifluoromethyl)benzyloxy]-4,5-dimethyl-2-phenylpyrrolidinium <i>p</i>-toluenesulfonate, (II), at 134K","Acta Crystallographica Section C","1999","55","10","IUC9900121","","10.1107/S0108270199098613","","","0.71073","MoKα","","0.049","0.047","","","","0.13","","","","","","1.675","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009068","9.8727","0.0018","8.8917","0.0011","16.527","0.002","90","","102.162","0.012","90","","1418.3","0.4","134","2","134","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(+)-(2S,3S,4S,5S)-3-[3,5-bis-(trifluoromethyl)-phenylmethoxy]-4,5-dimethyl-2- phenyl-pyrrolidinyl p-toluenesulfonate","","- C28 H29 F6 N O4 S -","- C28 H29 F6 N O4 S -","- C56 H58 F12 N2 O8 S2 -","2","1","QA0178","Bats, Jan W.; Heinrich, Timo; Reggelin, Michael","(+)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>)-3-[3,5-Bis(trifluoromethyl)benzyloxy]-<i>N</i>-(<i>tert</i>-butoxycarbonyl)-4,5-dimethyl-2-phenylpyrrolidine, (I), and (+)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>)-3-[3,5-bis(trifluoromethyl)benzyloxy]-4,5-dimethyl-2-phenylpyrrolidinium <i>p</i>-toluenesulfonate, (II), at 134K","Acta Crystallographica Section C","1999","55","10","IUC9900121","","10.1107/S0108270199098613","","","0.71073","MoKα","","0.061","0.047","","","","0.113","","","","","","1.294","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009069","6.349","0.001","6.936","0.001","9.282","0.002","95.62","0.03","104.58","0.03","113.44","0.03","353.8","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Fe N2 O8 -","- C12 H16 Fe N2 O8 -","- C12 H16 Fe N2 O8 -","1","0.5","QA0179","Liu, Qun; Wei, Yongge; Wang, Wei; Zhang, Shiwei","Tetraaquabis(4-pyridinecarboxylato-<i>N</i>)iron(II)","Acta Crystallographica Section C","1999","55","10","IUC9900127","","10.1107/S0108270199098741","","","0.71073","MoKα","","0.037","0.031","","","","0.08","","","","","","1.071","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009070","9.9921","0.0001","13.2646","0.0002","12.1386","0.0002","90","","90.47","0.001","90","","1608.81","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl (SR)-8,10-dichloro-1,2,3,4,5,6-hexahydro-6-hydroxy-1-methyl- 1,9-phenanthroline-6-carboxylate","","- C15 H16 Cl2 N2 O3 -","- C15 H16 Cl2 N2 O3 -","- C60 H64 Cl8 N8 O12 -","4","1","QA0180","Sarkar, Tarun Kumar; Basak, Sankar; Ghosh, Sunil Kumar; Nigam, Gur Dayal; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","Methyl (<i>SR</i>)-8,10-dichloro-1,2,3,4,5,6-hexahydro-6-hydroxy-1-methyl-1,9-phenanthroline-6-carboxylate","Acta Crystallographica Section C","1999","55","10","IUC9900128","","10.1107/S0108270199098650","","","0.71073","MoKα","","0.05","0.041","","","","0.121","","","","","","1.05","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009071","14.7482","0.0008","8.2538","0.0006","26.6697","0.0013","90","","100.42","0.003","90","","3192.9","0.3","106","2","106","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis,trans-Bis(acetonitrile)(2,2'-bipyridine-N,N')dichlororuthenium(II) hemihydrate","","- C14 H15 Cl2 N4 O0.5 Ru -","- C14 H15 Cl2 N4 O0.5 Ru -","- C112 H120 Cl16 N32 O4 Ru8 -","8","1","QB0111","Huh, Seong; Park, Seongsoon; Lough, Alan. J.","<i>cis</i>,<i>trans</i>-Bis(acetonitrile-<i>N</i>)(2,2'-bipyridine-<i>N</i>,<i>N</i>')dichlororuthenium(II) hemihydrate","Acta Crystallographica Section C","1999","55","10","IUC9900125","","10.1107/S0108270199098753","","","0.71073","MoKα","","0.082","0.041","","","","0.077","","","","","","0.908","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009072","15.001","0.009","7.385","0.003","15.078","0.013","90","","95.45","0.06","90","","1662.8","1.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-[3-(3-Indenyl)propyl]-benzylammonium bromide","","- C19 H22 Br N -","- C19 H22 Br N -","- C76 H88 Br4 N4 -","4","1","QB0113","Groux, Laurent F.; Bélanger-Gariépy, Francine; Zargarian, Davit","Benzyl[3-(3-indenyl)propyl]ammonium bromide","Acta Crystallographica Section C","1999","55","10","IUC9900130","","10.1107/S0108270199098637","","","1.54056","CuKα","","0.041","0.031","","0.077","","0.074","","","0.94","","","1.023","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009073","9.0165","0.0004","11.3057","0.0003","13.4155","0.0006","90","","90","","90","","1367.55","0.09","150","2","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) methionine","","- C10 H15 N5 O4 S -","- C10 H15 N5 O4 S -","- C40 H60 N20 O16 S4 -","4","1","SK1287","Low, John N.; Godino, M. L.; López, Rafael; Pérez, Agustin; Melguizo, Manuel; Cobo, Justo","<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)methionine","Acta Crystallographica Section C","1999","55","10","1727","1730","10.1107/S0108270199008495","","","0.71073","MoKα","","0.061","0.047","","","","0.128","","","","","","1.208","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009074","10.1911","0.0011","11.3039","0.0013","11.0983","0.0011","90","","115.83","0.002","90","","1150.8","0.2","295","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H12 Cl N O2 -","- C11 H12 Cl N O2 -","- C44 H48 Cl4 N4 O8 -","4","1","SK1291","Arici, Cengiz; Tahir, M. Nawaz; Ülkü, Dinçer; Atakol, Orhan","4-Chloro-2-(4-oxopent-2-en-2-ylamino)phenol","Acta Crystallographica Section C","1999","55","10","1691","1692","10.1107/S0108270199008501","","","0.71073","MoKα","","","0.036","","","","0.045","","","","","","0.96","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009075","9.0652","0.001","11.5566","0.0011","16.2857","0.0016","90","","100.558","0.008","90","","1677.3","0.3","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cu2 N6 O10 Zn -","- C34 H32 Cu2 N6 O10 Zn -","- C68 H64 Cu4 N12 O20 Zn2 -","2","0.5","SK1295","Ülkü, Dinçer; Tatar, Leyla; Atakol, Orhan; Durmus̨, Sefa","Bis{(μ-nitrato)[μ-bis(salicylidene)-1,3-propanediaminato]copper(II)}zinc(II)","Acta Crystallographica Section C","1999","55","10","1652","1654","10.1107/S0108270199008513","","","0.71073","MoKα","","","0.036","","","","0.04","","","","","","1.01","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009076","7.5447","0.0005","12.0046","0.0007","13.7852","0.0008","74.077","0.001","75.359","0.001","72.462","0.001","1124.96","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(2-phenyldiazenyl-1H-imidazole-N)silver(I) nitrate methanol solvate","","- C19 H20 Ag N9 O4 -","- C19 H20 Ag N9 O4 -","- C38 H40 Ag2 N18 O8 -","2","1","SK1302","S. Shanmuga Sundara Raj; Hoong-Kun Fun; Xiao-Feng Chen; Xu-Hui Zhu; Xiao-Zeng You","Bis[2-(phenylazo)imidazole-<i>N</i>]silver(I) nitrate methanol solvate","Acta Crystallographica Section C","1999","55","10","1644","1646","10.1107/S0108270199008525","","","0.71073","MoKα","","0.094","0.057","","","","0.16","","","","","","1.013","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009077","14.0268","0.0001","15.0988","0.0002","13.3565","0.0002","90","","111.16","0.01","90","","2638.02","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Diiodobis(4-methoxybenzaldehyde thiosemicarbazone)cadmium(II)","","- C18 H22 Cd I2 N6 O2 S2 -","- C18 H22 Cd I2 N6 O2 S2 -","- C72 H88 Cd4 I8 N24 O8 S8 -","4","1","SK1305","Yu-Peng Tian; Wen-Tao Yu; Min-Hua Jiang; S. Shanmuga Sundara Raj; Ping Yang; Hoong-Kun Fun","Diiodobis(4-methoxybenzaldehyde thiosemicarbazone-<i>S</i>)cadmium(II)","Acta Crystallographica Section C","1999","55","10","1639","1641","10.1107/S0108270199008537","","","0.71073","MoKα","","0.042","0.037","","","","0.09","","","","","","1.149","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009078","9.0605","0.0002","17.8725","0.0001","31.4066","0.0006","90","","90","","90","","5085.79","0.15","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Spiro[1-acetyl-2-oxo-(3H)indole-3,2'-oxeto[3,2-b](10'-diphenylmethylene- 3',4',9',10'-(3'α,4'α,9'α,10'α)-tetrahedron-4',9'-methanonaphthalene","","- C34 H25 N O3 -","- C34 H25 N O3 -","- C272 H200 N8 O24 -","8","1","SK1309","S.Shanmuga Sundara Raj; Hoong-Kun Fun; Jie, Xue; Jia-Hai, Ye; Hu, Cai; Jian-Hua, Xu","1-Acetyl-2a',3',8',8a'-tetrahydro-3',8'-(diphenylmethylenemethano)spiro[indoline-3,2'-2'<i>H</i>-oxeto[3,2-<i>b</i>]naphthalen]-2-one","Acta Crystallographica Section C","1999","55","10","1674","1675","10.1107/S0108270199008744","","","0.71073","MoKα","","0.1306","0.067","","","","0.1581","","","","","","1.083","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009079","6.3799","0.0001","14.9302","0.0002","16.108","0.0002","90","","91.636","0.001","90","","1533.71","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-hydroxyphenyl)-1-(2,4-dinitrophenyl)-1H-pyrazole-4-carboxaldehyde","","- C16 H10 N4 O6 -","- C16 H10 N4 O6 -","- C64 H40 N16 O24 -","4","1","SK1310","Shanmuga Sundara Raj, S.; Jeyakanthan, J.; Selvi, S.; Velmurugan, D.; Fun, H.-K; Perumal, P. T","1-(2,4-Dinitrophenyl)-3-(2-hydroxyphenyl)-1<i>H</i>-pyrazole-4-carbaldehyde","Acta Crystallographica Section C","1999","55","10","1667","1669","10.1107/S0108270199008690","","","0.71073","MoKα","","0.0796","0.0553","","","","0.155","","","","","","1.027","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009080","7.994","0.006","8.371","0.007","25.14","0.02","90","","90","","90","","1682","2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl3 N -","- C17 H18 Cl3 N -","- C68 H72 Cl12 N4 -","4","1","SX1083","Caruso, Francesco; Besmer, Angela; Rossi, Miriam","The absolute configuration of sertraline (Zoloft) hydrochloride","Acta Crystallographica Section C","1999","55","10","1712","1714","10.1107/S0108270199008343","","","0.71073","MoKα","","","0.058","","","0.049","","","","","","","1.391","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009081","12.67","0.002","7.368","0.001","29.704","0.005","90","","96.92","0.01","90","","2752.7","0.7","130","0.1","130","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-trimethylgermylethyl p-nitrobenzoate","","- C12 H17 Ge N O4 -","- C12 H17 Ge N O4 -","- C96 H136 Ge8 N8 O32 -","8","1","TA1258","White, Jonathan M.","Trimethylgermylethyl <i>p</i>-nitrobenzoate","Acta Crystallographica Section C","1999","55","10","1660","1662","10.1107/S0108270199007258","","","1.5418","CuKα","","0.032","0.03","","0.085","0.081","","","","0.977","0.992","0.992","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2009082","6.625","0.001","11.476","0.001","7.127","0.001","90","","105.03","0.01","90","","523.32","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-cis-Pinonic Acid","(1S,3S)-(+)-cis-3-acetyl-2,2-dimethylcyclobutaneacetic acid","","- C10 H16 O3 -","- C10 H16 O3 -","- C20 H32 O6 -","2","1","BK1455","Lalancette, Roger A.; Thompson, Hugh W.; Brunskill, Andrew P. J.","(+)-<i>cis</i>-Pinonic acid: catemeric hydrogen bonding in a non-racemic ε-keto acid","Acta Crystallographica Section C","1999","55","11","1908","1911","10.1107/S0108270199009555","","","0.71073","MoKα","","0.041","0.035","","","","0.089","","","","","","1.06","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009083","25.869","0.008","12.494","0.004","6.198","0.002","90","","90","","90","","2003.2","1.1","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(6'R)–6'–Methyl–2',5'–dioxo–(17R)spiro[11β–hydroxy-androst–4–en– 3–one–17,3'–[1,4]–dioxane]","","- C23 H30 O6 -","- C23 H30 O6 -","- C92 H120 O24 -","4","1","BK1456","Asiloé J. Mora; Belkis M. Ramírez; Gerzon Delgado; Roy Little","The 17-spiro lactide of cortienic acid: a probe for studying the active sites of steroidal receptors","Acta Crystallographica Section C","1999","55","11","1870","1873","10.1107/S0108270199008008","","","0.71069","MoKα","","0.0674","0.048","","","","0.1542","","","","","","1.151","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009084","9.438","0.002","12.6375","0.0018","9.7641","0.0013","90","","110.953","0.014","90","","1087.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diacetate-μ-[N,N'-bis[2-(2-aminoethylpyridine]oxamide]dicopper(II)","","- C20 H22 Cu2 N4 O6 -","- C20 H22 Cu2 N4 O6 -","- C40 H44 Cu4 N8 O12 -","2","0.5","BK1463","Francisco, Regina H. P.; Gambardella, M. Teresa do P.; Rodrigues, Ana M. G. D.; de Paula, M.; de Sousa, Gerimário F.","[μ-<i>N</i>,<i>N</i>'-Bis(2-pyridylethyl)oxamide]bis[acetatocopper(II)]","Acta Crystallographica Section C","1999","55","11","1791","1793","10.1107/S0108270199009476","","","0.71073","MoKα","","0.126","0.056","","","","0.184","","","","","","1.23","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009085","11.325","0.002","16.996","0.002","17.193","0.002","90","","99.78","0.01","90","","3261.2","0.8","290","2","290","2","","","","","","","","5","C 1 c 1","C -2yc","9","N-methyl-3',4'-dimethoxy-4-stilbazolium tetraphenylborate","4-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylpyridinium tetraphenylborate","","- C40 H38 B N O2 -","- C40 H38 B N O2 -","- C160 H152 B4 N4 O8 -","4","1","BK1469","De-Chun Zhang; Li-Qin Ge; Tian-Zhu Zhang; Yan-Qiu Zhang; Kai-Bei Yu","4-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylpyridinium tetraphenylborate","Acta Crystallographica Section C","1999","55","11","1938","1939","10.1107/S0108270199009579","","","0.71073","MoKα","","0.074","0.034","","0.072","","0.063","","","0.82","","","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2009086","12.377","0.003","6.974","0.0014","19.822","0.004","90","","102.82","0.03","90","","1668.3","0.7","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","Triaqua-(2,2'-bipyridyl-N,N')-(thiosulfato-S)-nickel(II) dihydrate","","- C10 H18 N2 Ni O8 S2 -","- C10 H18 N2 Ni O8 S2 -","- C40 H72 N8 Ni4 O32 S8 -","4","2","BK1471","Eleonora Freire; Sergio Baggio; Ricardo Baggio; Leopoldo Suescun","Triaqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(thiosulfato-<i>S</i>)nickel(II) dihydrate and triaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')(thiosulfato-<i>S</i>)nickel(II) monohydrate","Acta Crystallographica Section C","1999","55","11","1780","1784","10.1107/S010827019900829X","","","0.71073","MoKα","","0.042","0.036","","","","0.099","","","","","","1.08","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009087","8.434","0.002","8.782","0.002","11.344","0.002","90.47","0.03","91.27","0.03","104.23","0.03","814.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Triaqua-(2,10-phenanthroline-N,N')-(thiosulfato-S)-nickel(II) monohydrate.","","- C12 H16 N2 Ni O7 S2 -","- C12 H16 N2 Ni O7 S2 -","- C24 H32 N4 Ni2 O14 S4 -","2","1","BK1471","Eleonora Freire; Sergio Baggio; Ricardo Baggio; Leopoldo Suescun","Triaqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(thiosulfato-<i>S</i>)nickel(II) dihydrate and triaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')(thiosulfato-<i>S</i>)nickel(II) monohydrate","Acta Crystallographica Section C","1999","55","11","1780","1784","10.1107/S010827019900829X","","","0.71073","MoKα","","0.026","0.025","","","","0.071","","","","","","1.09","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009088","15.194","0.003","11.059","0.002","16.262","0.003","90","","102.19","0.03","90","","2670.9","0.9","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Co F6 N4 O6 P3 S2 -","- C14 H24 Co F6 N4 O6 P3 S2 -","- C56 H96 Co4 F24 N16 O24 P12 S8 -","4","1","BK1474","Ye-Xiang Tong; Cheng-Yong Su; Bei-Sheng Kang; Xiao-Lan Yu; Xiao-Ming Chen","Bis(pyrimidine-2-thiolato-<i>N</i>,<i>S</i>)bis(trimethyl phosphite-<i>P</i>)cobalt(III) hexafluorophosphate","Acta Crystallographica Section C","1999","55","11","1800","1802","10.1107/S0108270199009488","","","0.71073","MoKα","","0.125","0.067","","","","0.164","","","","","","1.079","","","","has coordinates,has disorder","189124","2020-10-21","18:00:00",""
"2009089","13.32","0.002","16.118","0.002","13.609","0.002","90","","94.76","0.01","90","","2911.7","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chloro-bis(2-(2-hydroxyphenyl)benzothiazolato) oxorhenium (V). 1.5CH~2~Cl~2~","","- C27.5 H19 Cl4 N2 O3 Re S2 -","- C27.5 H18 Cl4 N2 O3 Re S2 -","- C110 H72 Cl16 N8 O12 Re4 S8 -","4","1","BK1478","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Chattopadhyay, Pabitra; Lo, Jem-Mau; Chung, Chung-Sun","Bis[2-(1,3-benzothiazol-2-yl)phenolato-<i>O</i>,<i>N</i>]chlorooxorhenium(V)‒dichloromethane (1/1.5)","Acta Crystallographica Section C","1999","55","11","1802","1804","10.1107/S0108270199010008","","","0.71073","MoKα","","0.0843","0.0394","","","","0.096","","","","","","0.962","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009090","7.25","0.003","9.938","0.005","11.169","0.006","72.88","0.04","82.74","0.04","83.4","0.04","760.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","spiro-1',1'-(2-methylamino-tio-troponyl)-2',4',6'-trinitrocyclohexadiene.","","- C14 H10 N4 O6 S -","- C14 H10 N4 O6 S -","- C28 H20 N8 O12 S2 -","2","1","BM1341","Borbulevych, Oleg Ya.; Shishkin, Oleg V.; Budarina, Zoya N.; Antipin, Michail Yu.; Olekhnovich, Lev P.","2,3-Dihydro-3-methyl-2',4',6'-trinitrospiro[1,3-thiazolotropylium-2,1'-cyclohexadienide]","Acta Crystallographica Section C","1999","55","11","1915","1918","10.1107/S0108270199009646","","","0.71073","MoKα","","0.1571","0.0721","","0.2095","","0.1626","","","0.93","","","1.158","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009091","12.984","0.007","13.034","0.005","16.749","0.008","82.04","0.03","72.31","0.04","87.45","0.04","2674","2","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H36 F6 N6 O14 -","- C31 H18 F3 N3 O7 -","- C124 H72 F12 N12 O28 -","4","2","BM1342","Kovalevsky, A. Yu.; Shishkin, O. V.; Ponomarev, I. I.","<i>N</i>,<i>N</i>'-(Pyridine-2,6-diyl)bis(naphthalenedicarboximide) trifluoroacetic acid monohydrate","Acta Crystallographica Section C","1999","55","11","1914","1915","10.1107/S0108270199009385","","","0.71073","MoKα","","0.1918","0.062","","0.1796","","0.1777","","","0.883","","","1.154","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009092","12.996","0.005","10.106","0.005","12.717","0.011","90","","110.35","0.06","90","","1566","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3,5-Dinitropyridyl-2-oxy)-3,5,7-trimethylcyclohepta-2,4,6-trien-1-one","","- C15 H13 N3 O6 -","- C15 H13 N3 O6 -","- C60 H52 N12 O24 -","4","1","BM1347","Borbulevych, Oleg Ya.; Kurbatov, Sergey V.; Vaslyaeva, Galina S.; Antipin, Michail Yu.; Olekhnovich, Lev P.","2-(3,5-Dinitropyridyl-2-oxy)-3,5,7-trimethylcyclohepta-2,4,6-trien-1-one","Acta Crystallographica Section C","1999","55","11","1920","1921","10.1107/S0108270199009166","","","0.71073","MoKα","","0.08","0.057","","0.161","","0.131","","","1.08","","","1.14","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2009093","7.879","0.003","10.971","0.006","19.831","0.009","90","","91.2","0.03","90","","1713.8","1.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4-triethylammoniomethyl-1,3-dioxolane)-2-spiro-1'-2',4',6'-trinitro- cyclohexadienide","","- C15 H22 N4 O8 -","- C15 H22 N4 O8 -","- C60 H88 N16 O32 -","4","1","BM1348","Borbulevych, Oleg Ya.; Shishkin, Oleg V.; Knyazev, Victor N.","4-Triethylammoniomethyl-1,3-dioxolane-2-spiro-1'-2',4',6'-trinitrocyclohexadienide","Acta Crystallographica Section C","1999","55","11","1918","1920","10.1107/S0108270199009233","","","0.71073","MoKα","","0.2099","0.0771","","0.264","","0.1722","","","0.876","","","1.177","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009094","8.905","0.004","9.497","0.003","10.321","0.005","93.83","0.03","99.9","0.03","90.42","0.03","857.8","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H23.5 F7.5 N2 O11.5 -","- C36 H23 F7.5 N2 O11.5 -","- C36 H23 F7.5 N2 O11.5 -","1","0.5","BM1349","Kovalevsky, A.Yu.; Shishkin, O. V.; Ponomarev, I.I.; Shishkina, S. V.","<i>N</i>,<i>N</i>'-Bis(3-methoxyphenyl)-1,8:4,5-naphthalenetetracarboximide‒trifluoroacetic acid‒phenol (1/2.5/0.5)","Acta Crystallographica Section C","1999","55","11","1911","1913","10.1107/S010827019900949X","","","0.71073","MoKα","","","0.0887","","","","0.236","","","","","","1.13","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009095","11.9557","0.0007","12.111","0.0007","17.931","0.001","99.79","0.001","98.943","0.001","114.365","0.001","2255.8","0.2","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","(tpp)Zr(Cl)[N(SiMe~3~)~2~] (tpp = 5,10,15,20-tetraphenylporphyrinato dianion)","","- C50 H46 Cl N5 Si2 Zr -","- C50 H46 Cl N5 Si2 Zr -","- C100 H92 Cl2 N10 Si4 Zr2 -","2","1","BM1353","Kim, Hee-Joon; Kim, Kimoon","The first amidozirconium(IV)‒porphyrin complex: <i>cis</i>-[bis(trimethylsilyl)amido]chloro(tetraphenylporphyrinato)zirconium(IV)","Acta Crystallographica Section C","1999","55","11","1814","1815","10.1107/S0108270199009919","","","0.71073","MoKα","","0.039","0.032","","","","0.081","","","","","","1.104","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009096","7.7939","0.0008","12.3957","0.0014","7.978","0.001","90","","97.48","0.01","90","","764.2","0.15","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Hydroxypiperidinium iodide","","- C5 H12 I N O -","- C5 H12 I N O -","- C20 H48 I4 N4 O4 -","4","1","BM1355","Freytag, Matthias; Jones, Peter G.","Hydrogen bonding in two piperidinium derivatives","Acta Crystallographica Section C","1999","55","11","1874","1877","10.1107/S0108270199009567","","","0.71073","MoKα","","0.017","0.014","","","","0.035","","","","","","1.071","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2009097","9.1378","0.001","10.9924","0.0014","30.58","0.003","90","","90","","90","","3071.6","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methylpiperidinium 4-Methylpyridine-N-carboxylate Monohydrate","","- C13 H28 N2 O3 -","- C13 H28 N2 O3 -","- C104 H224 N16 O24 -","8","1","BM1355","Freytag, Matthias; Jones, Peter G.","Hydrogen bonding in two piperidinium derivatives","Acta Crystallographica Section C","1999","55","11","1874","1877","10.1107/S0108270199009567","","","0.71073","MoKα","","0.088","0.038","","","","0.078","","","","","","0.797","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2009098","16.3206","0.0007","15.6683","0.0007","19.3267","0.0009","90","","90","","90","","4942.1","0.4","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H14 B N O2 -","- C13 H14 B N O2 -","- C208 H224 B16 N16 O32 -","16","2","BM1357","Clegg, William; Scott, Andrew J.; Souza, Fábio E.S.; Marder, Todd B.","1:1 Adducts of 4-picoline with methylcatecholborane and phenylcatecholborane","Acta Crystallographica Section C","1999","55","11","1885","1888","10.1107/S0108270199010343","","","0.71073","MoKα","","0.0618","0.0474","","","","0.118","","","","","","1.062","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009099","9.729","0.0013","10.3311","0.0014","15.589","0.002","91.087","0.003","106.477","0.003","94.123","0.003","1497.4","0.3","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 B N O2 -","- C18 H16 B N O2 -","- C72 H64 B4 N4 O8 -","4","2","BM1357","Clegg, William; Scott, Andrew J.; Souza, Fábio E.S.; Marder, Todd B.","1:1 Adducts of 4-picoline with methylcatecholborane and phenylcatecholborane","Acta Crystallographica Section C","1999","55","11","1885","1888","10.1107/S0108270199010343","","","0.71073","MoKα","","0.1219","0.0644","","","","0.1669","","","","","","0.872","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009100","12.564","0.004","13.452","0.004","7.021","0.002","90","","113.74","0.03","90","","1086.2","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cadmium sodium trivanadate","","- Cd3.23 Na1.41 O12 V3.36 -","- Cd3.229 Na1.409 O12 V3.362 -","- Cd12.916 Na5.636 O48 V13.448 -","4","0.5","BR1215","Lahcen El Ammari; Mohamed Azrour; Wulf Depmeier; K.-F. Hesse; Brahim Elouadi","Cadmium sodium trivanadate","Acta Crystallographica Section C","1999","55","11","1743","1746","10.1107/S0108270199007787","","","0.71069","MoKα","","0.036","0.027","","0.066","","0.063","","","1.063","","","1.1","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009101","6.266","0.001","6.266","0.001","8.103","0.002","90","","90","","120","","275.52","0.09","350","1","350","1","","","","","","","","3","P -3 m 1","-P 3 2""","164","Thallium Molybdate","Dithallium molybdate","","- Mo O4 Tl2 -","- Mo O4 Tl2 -","- Mo2 O8 Tl4 -","2","0.166667","BR1242","Friese, K.; Madariaga, G.; Breczewski, T.","Tl~2~MoO~4~ at 350K","Acta Crystallographica Section C","1999","55","11","1753","1755","10.1107/S0108270199008616","","","0.71073","MoKα","","0.046","0.039","","","","0.092","","","","","","1.053","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2009102","9.124","0.004","7.792","0.0018","13.059","0.004","90","","90","","90","","928.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","silver iododiphosphate","","","- Ag5 I O7 P2 -","- Ag5 I O7 P2 -","- Ag20 I4 O28 P8 -","4","1","BR1248","Adams, Stefan; Preusser, Andrea","Silver-ion conduction pathways in Ag~5~IP~2~O~7~","Acta Crystallographica Section C","1999","55","11","1741","1743","10.1107/S0108270199009634","","","0.71073","MoKα","","0.028","0.025","","","","0.063","","","","","","1.118","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009103","8.4551","0.0003","8.4551","0.0003","8.4551","0.0003","90","","90","","90","","604.44","0.04","293","2","298","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","Franklinite","Zinc Iron Oxide","","- Fe1.96 Mn0.36 O4 Zn0.68 -","- Fe2 Mn0.35 O4 Zn0.65 -","- Fe16 Mn2.8 O32 Zn5.2 -","8","0.0416667","BR1249","Doriguetto, Antônio C.; Fernandes, Nelson G.","Manganese-rich natural Franklinite","Acta Crystallographica Section C","1999","55","11","1751","1753","10.1107/S0108270199010045","","","0.71073","MoKα","","0.018","0.017","","","","0.026","","","","","","1.3","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009104","8.045","0.002","18.037","0.002","10.056","0.001","90","","99.27","0.01","90","","1440.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetrakis(Cyclopropylammonium)Cyclotetraphosphate Tetrahydrate","","- C12 H40 N4 O16 P4 -","- C12 H40 N4 O16 P4 -","- C24 H80 N8 O32 P8 -","2","0.5","CF1294","Soumhi, El Hassane; Saadoune, Ismael; Driss, Ahmed; Jouini, Tahar","Tetrakis(cyclopropylammonium) cyclotetraphosphate tetrahydrate","Acta Crystallographica Section C","1999","55","11","1932","1934","10.1107/S010827019900877X","","","0.71069","MoKα","","0.0396","0.0335","","","","0.0906","","","","","","1.058","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009105","13.0824","0.0019","18.808","0.003","29.608","0.005","90","","90","","90","","7285","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R,R)-Jacobsen's Catalyst","(1R,2R)-(-)-1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butyl-salicylidene) manganese(III) chloride: A Jacobsen's Catalyst","","- C36 H52 Cl Mn N2 O2 -","- C36 H52 Cl Mn N2 O2 -","- C288 H416 Cl8 Mn8 N16 O16 -","8","2","CF1320","Yoon, Jae Woong; Yoon, Tae-Sung; Lee, Soon Won; Shin, Whanchul","(1<i>R</i>,2<i>R</i>)-(‒)-[Bis(3,5-di-<i>tert</i>-butylsalicylidene)-1,2-cyclohexanediamine]chloromanganese(III), an (<i>R</i>,<i>R</i>)-Jacobsen catalyst","Acta Crystallographica Section C","1999","55","11","1766","1769","10.1107/S0108270199009397","","","0.71073","MoKα","","0.065","0.048","","","","0.138","","","","","","1.029","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009106","11.905","0.002","9.9448","0.0014","14.8508","0.0015","90","","110.079","0.01","90","","1651.4","0.4","150","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 Cl5 O3 Zr -","- C18 H24 Cl10 O6 Zr2 -","- C36 H48 Cl20 O12 Zr4 -","2","0.5","CF1324","Coles, Simon J.; Hursthouse, Michael B.; Kelly, David G.; Walker, Neil M.","The salt of the di-μ-chloro-bis[tetrachlorozirconium(IV)] anion with protonated 1,3,5-trimethoxybenzene as cation","Acta Crystallographica Section C","1999","55","11","1789","1791","10.1107/S0108270199010355","","","0.71069","MoKα","","","0.036","","","","0.147","","","","","","0.975","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009107","12.0332","0.0006","10.5925","0.0006","12.1984","0.0007","90","","107.432","0.003","90","","1483.42","0.14","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl3 H6 In O3 -","- Cl3 H6 In O3 -","- Cl24 H48 In8 O24 -","8","2","CF1325","Aris, Damian R.; Errington, William; Willey, Gerald R.","<i>fac</i>-Triaquatrichloroindium(III)","Acta Crystallographica Section C","1999","55","11","1746","1748","10.1107/S0108270199008793","","","0.71073","MoKα","","0.028","0.022","","","","0.048","","","","","","0.977","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009108","9.645","0.008","9.994","0.002","12.918","0.006","90","","90","","90","","1245.2","1.2","203","2","203","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","bis(trimetylamine) aluminiumtrichloride","","- C6 H18 Al Cl3 N2 -","- C6 H18 Al Cl3 N2 -","- C24 H72 Al4 Cl12 N8 -","4","0.5","CF1327","Gelbrich, Thomas; Dümichen, Ulf; Sieler, Joachim","Bis-adduct of trimethylamine with aluminium trichloride","Acta Crystallographica Section C","1999","55","11","1797","1798","10.1107/S0108270199009658","","","0.71069","MoKα","","0.026","0.02","","","","0.059","","","","","","1.053","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009109","10.1159","0.0005","15.5291","0.0007","13.363","0.0006","90","","110.744","0.001","90","","1963.12","0.16","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3'-(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl) Spiro (5-fluoro-3H-indol-3,2'-thiazolidine)-2,4'-(1H)-dione","","- C21 H17 F N4 O3 S -","- C21 H17 F N4 O3 S -","- C84 H68 F4 N16 O12 S4 -","4","1","CF1329","Jain, Subhash C.; Sinha, Juhi; Bhagat, Sunita; Babu, B. Ravindra; Bali, Shilpika","3'-(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)-5-fluorospiro[3<i>H</i>-indole-3,2'-thiazolidine]-2(1<i>H</i>),4'-dione","Acta Crystallographica Section C","1999","55","11","1826","1829","10.1107/S010827019900966X","","","0.71073","MoKα","","0.053","0.037","","0.097","0.09","","","","1.03","1.094","1.094","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2009110","11.7637","0.0013","13.961","0.0015","9.6642","0.001","90","","113.054","0.003","90","","1460.4","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-Diphenyl-5-acetoxyisoxazolidene","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","CF1330","Mukherjee, Shubhasish; Parmar, Virinder S; Errington, William","5-Acetoxy-2,3-diphenylisoxazolidine and 5-acetoxy-3-(4-nitrophenyl)-2-phenylisoxazolidine","Acta Crystallographica Section C","1999","55","11","1829","1831","10.1107/S0108270199010367","","","0.71073","MoKα","","0.0955","0.0505","","","","0.123","","","","","","0.997","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009111","17.9115","0.0013","11.6279","0.0013","7.701","0.0007","90","","95.842","0.003","90","","1595.6","0.3","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-phenyl-3-(4-nitrophenyl)-5-acetoxyisoxazolidine","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C68 H64 N8 O20 -","4","1","CF1330","Mukherjee, Shubhasish; Parmar, Virinder S; Errington, William","5-Acetoxy-2,3-diphenylisoxazolidine and 5-acetoxy-3-(4-nitrophenyl)-2-phenylisoxazolidine","Acta Crystallographica Section C","1999","55","11","1829","1831","10.1107/S0108270199010367","","","0.71073","MoKα","","0.0632","0.0431","","","","0.0977","","","","","","0.912","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009112","17.3562","0.0019","6.0765","0.0006","15.8695","0.0017","90","","98.732","0.004","90","","1654.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(4-Chlorophenyl-N-methylcyanamide","","- C8 H7 Cl N2 -","- C8 H7 Cl N2 -","- C64 H56 Cl8 N16 -","8","1","CF1331","Cunningham, Ian D.; Light, Mark E.; Hursthouse, Michael B.","<i>N</i>-(4-Chlorophenyl)-<i>N</i>-methylcyanamide","Acta Crystallographica Section C","1999","55","11","1833","1835","10.1107/S0108270199010379","","","0.71073","MoKα","","","0.0486","","","","0.1408","","","","","","0.993","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009113","6.108","0.001","7.026","0.002","11.492","0.002","97.21","0.02","99.23","0.02","96.39","0.02","478.57","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,2'-bipyridine-5-sulfonic acid","","- C10 H8 N2 O3 S -","- C10 H8 N2 O3 S -","- C20 H16 N4 O6 S2 -","2","1","DA1080","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.","2,2'-Bipyridine-5-sulfonic acid","Acta Crystallographica Section C","1999","55","11","1921","1923","10.1107/S0108270199010203","","","0.71069","MoKα","","0.032","0.029","","0.082","0.077","","","","1.075","1.105","1.105","","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009114","6.2452","0.0005","7.869","0.0006","24.151","0.0014","90","","90","","90","","1186.86","0.15","297","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O3 -","- C12 H18 N2 O3 -","- C48 H72 N8 O12 -","4","1","DA1097","Billodeaux, Damon R.; Fronczek, Frank R.; Dürüst, Yaşar","2,6-Dimethylspiro[1-oxa-2,5-diazabicyclo[3.3.0]octane-3,1'-cyclohexane]-4,6-dione","Acta Crystallographica Section C","1999","55","11","1943","1945","10.1107/S0108270199010082","","","1.54184","CuKα","","0.036","0.034","","","","0.106","","","","","","1.063","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2009115","9.866","0.002","6.01","0.003","21.697","0.005","90","","99.58","0.01","90","","1268.6","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-endo3-Benzoylbicyclo[2.2.1]heptane-endo2-carboxylic acid","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","FG1565","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(±)-3-Benzoylbicyclo[2.2.1]heptane-2-carboxylic acid: structures and hydrogen-bonding patterns of the di-<i>endo</i> and the 2-<i>endo</i>-3-<i>exo</i> isomers","Acta Crystallographica Section C","1999","55","11","1905","1908","10.1107/S0108270199009245","","","0.71073","MoKα","","0.106","0.052","","","","0.122","","","","","","1.06","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009116","7.646","0.002","10.799","0.004","15.446","0.005","90","","93.02","0.02","90","","1273.6","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-exo3-Benzoylbicyclo[2.2.1]heptane-endo2-carboxylic acid","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","FG1565","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(±)-3-Benzoylbicyclo[2.2.1]heptane-2-carboxylic acid: structures and hydrogen-bonding patterns of the di-<i>endo</i> and the 2-<i>endo</i>-3-<i>exo</i> isomers","Acta Crystallographica Section C","1999","55","11","1905","1908","10.1107/S0108270199009245","","","0.71073","MoKα","","0.067","0.044","","","","0.101","","","","","","1.02","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009117","10.399","0.002","15.132","0.003","14.28","0.003","90","","91.21","0.03","90","","2246.6","0.8","150","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","FG1566","Hughes, David S.; Hursthouse, Michael B.; Threlfall, Terry; Tavener, Stewart","A new polymorph of sulfathiazole","Acta Crystallographica Section C","1999","55","11","1831","1833","10.1107/S0108270199010112","","","0.71073","MoKα","","","0.046","","","","0.079","","","","","","0.858","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2009118","12.269","0.002","6.081","0.001","20.176","0.002","90","","102.629","0.009","90","","1468.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Cl3 O Te -","- C12 H13 Cl3 O Te -","- C48 H52 Cl12 O4 Te4 -","4","1","FG1570","Zukerman-Schpector, J.; Camillo, Robinson L.; Comasseto, João V.; Cunha, Rodrigo L. O. R.; Lemos, Francisco C.D.; Caracelli, I.","Acetonyldichloro[(<i>Z</i>)-2-chloro-1-methyl-2-phenylethenyl]tellurium(IV)","Acta Crystallographica Section C","1999","55","11","1930","1932","10.1107/S0108270199009269","","","0.71073","MoKα","","0.039","0.03","","","","0.086","","","","","","1.047","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009119","7.385","0.001","11.491","0.002","15.202","0.002","90","","101.94","0.01","90","","1262.1","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-3-Oxoglycyrrhetinic acid","(+)-10,13-dioxo-2α,4aβ,6aα,6bβ,9,9,-12aβ-heptamethyl -1,2,3,4,4a,5,6,6a,6b,7,8,8aα,9,10,11,12,12a,12bα,13,14bβ -icosahydropicene-2β-carboxylic acid","","- C30 H44 O4 -","- C30 H44 O4 -","- C60 H88 O8 -","2","1","FG1571","Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","(+)-3-Oxoglycyrrhetinic acid: catemeric hydrogen bonding in a non-racemic triterpenoid diketo acid","Acta Crystallographica Section C","1999","55","11","1902","1905","10.1107/S0108270199010124","","","0.71073","MoKα","","0.061","0.041","","","","0.095","","","","","","1.03","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009120","10.741","0.001","12.387","0.001","12.196","0.002","90","","112.61","0.01","90","","1497.9","0.3","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cl N3 O S -","- C17 H10 Cl N3 O S -","- C68 H40 Cl4 N12 O4 S4 -","4","1","FR1204","Özbey, Süheyla; Kendi, Engin; Tozkoparan, Birsen; Ertan, Mevlüt","6-Benzylidene-2-(2-chlorophenyl)thiazolo[3,2-<i>b</i>]-1,2,4-triazol-5(6<i>H</i>)-one","Acta Crystallographica Section C","1999","55","11","1939","1941","10.1107/S0108270199009816","","","0.71069","MoKα","","","0.035","","","","0.045","","","","","","0.9","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009121","15.14","0.002","9.671","0.001","7.621","0.002","90","","117.85","0.01","90","","986.6","0.3","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","acenaphthene-5,6-dicarboxylic anhydride","","","- C14 H8 O3 -","- C14 H8 O3 -","- C56 H32 O12 -","4","0.5","FR1213","Blackburn, Anthony C.; Fitzgerald, Lawrence J.; Gerkin, Roger E.","C—H···O interactions in acenaphthene-5,6-dicarboxylic anhydride","Acta Crystallographica Section C","1999","55","11","1852","1854","10.1107/S0108270199009270","","","0.71073","MoKα","","","0.041","","","","0.079","","","","","","1.85","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009122","10.4475","0.0001","10.4475","0.0001","22.8183","0.0002","90","","90","","90","","2490.62","0.04","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","10,11-Dibromo-3,6-ditosyl-3,6-diazabicyclo[6.4.0]dodeca-1(8),9,11-triene","","- C24 H24 Br2 N2 O4 S2 -","- C24 H24 Br2 N2 O4 S2 -","- C96 H96 Br8 N8 O16 S8 -","4","0.5","FR1214","Şamil Işık; Sema Öztürk; Hoong-Kun Fun; Erbil Ag̃ar; Selami Şaşmaz","10,11-Dibromo-3,6-ditosyl-3,6-diazabicyclo[6.4.0]dodeca-1(8),9,11-triene","Acta Crystallographica Section C","1999","55","11","1850","1852","10.1107/S0108270199010136","","","0.71073","MoKα","","0.128","0.06","","","","0.141","","","","","","1.01","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009123","4.963","0.001","10.458","0.002","28.31","0.004","90","","94.716","0.016","90","","1464.4","0.5","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 S -","- C18 H15 N O2 S -","- C72 H60 N4 O8 S4 -","4","1","FR1217","Luck, Rudy L.; Bates, Dallas K.; Li, Kexue; Xia, Mingde","1-[(1,3-Dihydro-2-benzothienyl)acetyl]-1<i>H</i>-indole <i>S</i>-oxide","Acta Crystallographica Section C","1999","55","11","1873","1874","10.1107/S0108270199010148","","","0.71069","MoKα","","","0.035","","","","0.104","","","","","","1.053","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009124","9.374","0.002","10.391","0.001","13.41","0.001","90","","105.54","0.01","90","","1258.5","0.3","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2',5'-dimethylbiphenyl-2-carboxylic acid","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","FR1218","Gerkin, Roger E.","2',5'-Dimethylbiphenyl-2-carboxylic acid","Acta Crystallographica Section C","1999","55","11","1859","1861","10.1107/S010827019900904X","","","0.71073","MoKα","","","0.056","","","","0.063","","","","","","1.52","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009125","5.318","0.001","23.1","0.001","7.619","0.002","90","","109.92","0.01","90","","880","0.3","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-(2-methylphenyl)propan-1-oic acid","","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","1","FR1221","Gerkin, Roger E.","3-(2-Methylphenyl)propanoic acid","Acta Crystallographica Section C","1999","55","11","1857","1859","10.1107/S0108270199009063","","","0.71073","MoKα","","","0.051","","","","0.082","","","","","","1.44","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009126","17.4","0.003","27.085","0.002","6.119","0.002","90","","90","","90","","2883.8","1.1","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C144 H112 O32 -","8","1","FR1226","Aumiller, Wade D.; Gerkin, Roger E.","Network of C—H···O interactions in dimethyl anthracene-1,8-dicarboxylate","Acta Crystallographica Section C","1999","55","11","1855","1857","10.1107/S010827019900983X","","","0.71073","MoKα","","","0.063","","","","0.076","","","","","","1.29","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009127","10.361","0.006","8.144","0.004","20.158","0.003","90","","101.299","0.008","90","","1668","1.3","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(1-dimethylaminomethyl-8-dimethylammoniomethylnaphthalene) 3,4-dioxocyclobut-1-ene-1,2-diolate dihydrate","","- C36 H50 N4 O6 -","- C36 H50 N4 O6 -","- C72 H100 N8 O12 -","2","0.5","GD1043","Bouma, Barend; Kooijman, Huub; Kroon, Jan; Grech, Eugeniusz; Brzezinski, Bogumił","1,8-Bis(dimethylaminomethyl)naphthalene bis(squaric acid) dihydrate","Acta Crystallographica Section C","1999","55","11","1824","1826","10.1107/S0108270199009853","","","0.71073","MoKα","","0.0787","0.0483","","","","0.1366","","","","","","1.043","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009128","9.8833","0.001","17.9581","0.001","19.2752","0.001","90","","90.578","0.01","90","","3420.9","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(8-Dimethylamino-1-naphtyl)dimethylammonium 6-fluoro-2-(trifluoromethyl)-4-quinolinolate -6-fluoro-2-(trifluoromethyl)-4-quinolinol","","- C36 H31 F8 N5 O2 -","- C34 H28 F8 N4 O2 -","- C136 H112 F32 N16 O8 -","4","0.5","GD1044","Vergeer, Peter; Kooijman, Huub; Schreurs, Antoine M.M.; Kroon, Jan; Grech, Eugeniusz","1,8-Bis(dimethylamino)naphthalene bis[6-fluoro-2-(trifluoromethyl)-4-quinolinol] acetonitrile solvate","Acta Crystallographica Section C","1999","55","11","1822","1824","10.1107/S0108270199009671","","","0.7173","MoKα","","0.0896","0.058","","","","0.12","","","","","","1.119","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009129","7.3872","0.0009","9.6082","0.0013","7.4972","0.0014","90","","115.444","0.01","90","","480.52","0.13","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-trans-Pinononic acid","(+)-trans-3-acetyl-2,2-dimethylcyclobutanecarboxylic acid","","- C9 H14 O3 -","- C9 H14 O3 -","- C18 H28 O6 -","2","1","GD1053","Barcon, Alan; Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","(+)-<i>trans</i>-Pinononic acid: hydrogen-bonding patterns in a non-racemic δ-keto acid","Acta Crystallographica Section C","1999","55","11","1899","1902","10.1107/S0108270199010380","","","0.71073","MoKα","","0.041","0.035","","","","0.09","","","","","","1.06","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009130","8.623","0.002","8.631","0.0008","14.896","0.003","90","","102.848","0.009","90","","1080.9","0.3","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","yttrium sodium oxalate tetrahydrate","","","- C4 H8 Na O12 Y -","- C4 H8 Na O12 Y -","- C16 H32 Na4 O48 Y4 -","4","2","GS1049","Bataille, Thierry; Louër, Daniel","Yttrium sodium oxalate tetrahydrate, [Y(H~2~ O)]Na(C~2~O~4~)~2~^.^3H~2~O","Acta Crystallographica Section C","1999","55","11","1760","1762","10.1107/S0108270199009683","","","0.71073","MoKα","","0.115","0.042","","","","0.096","","","","","","1.011","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009131","11.2968","0.0004","11.8091","0.0007","12.8835","0.001","90","","90","","90","","1718.72","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","7-Chloro-(S)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide","","- C15 H20 Cl N3 O2 S -","- C15 H20 Cl N3 O2 S -","- C60 H80 Cl4 N12 O8 S4 -","4","1","GS1050","Dupont, Léon; de Tullio, Pascal; Khelili, Smail; Somers, Fabian; Delarge, Jacques; Pirotte, Bernard","7-Chloro-(<i>R</i>)-3-[1-(cyclohexyl)ethylamino]-4<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide and 7-chloro-(<i>S</i>)-3-[1-(cyclohexyl)ethylamino]-4<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide","Acta Crystallographica Section C","1999","55","11","1945","1947","10.1107/S0108270199010069","","","1.5418","CuKα","","0.0533","0.0402","","","","0.1118","","","","","","1.035","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009132","11.2963","0.0008","11.8026","0.0011","12.8831","0.0011","90","","90","","90","","1717.6","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","7-Chloro-(R)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide","","- C15 H20 Cl N3 O2 S -","- C15 H20 Cl N3 O2 S -","- C60 H80 Cl4 N12 O8 S4 -","4","1","GS1050","Dupont, Léon; de Tullio, Pascal; Khelili, Smail; Somers, Fabian; Delarge, Jacques; Pirotte, Bernard","7-Chloro-(<i>R</i>)-3-[1-(cyclohexyl)ethylamino]-4<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide and 7-chloro-(<i>S</i>)-3-[1-(cyclohexyl)ethylamino]-4<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide","Acta Crystallographica Section C","1999","55","11","1945","1947","10.1107/S0108270199010069","","","1.5418","CuKα","","0.0482","0.0354","","","","0.098","","","","","","0.988","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009133","11.963","0.002","7.824","0.002","17.573","0.002","90","0.02","106.9","0.02","90","0.03","1573.8","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Salannin","Salannin","","- C34 H44 O9 -","- C34 H44 O9 -","- C68 H88 O18 -","2","1","HA1256","V. Kabaleeswaran; S. S. Rajan; Geetha Gopalakrishnan; T. R. Govindachari","Salannin and 3-deacetylsalannin","Acta Crystallographica Section C","1999","55","11","1952","1955","10.1107/S010827019900880X","","","1.5418","CuKα","","0.08","0.058","","","","0.212","","","","","","0.833","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2009134","7.236","0.003","12.764","0.004","31.892","0.004","90","","90","","90","","2945.6","1.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-deacetylsalannin","3-deacetylsalannin","","- C32 H42 O8 -","- C32 H42 O8 -","- C128 H168 O32 -","4","1","HA1256","V. Kabaleeswaran; S. S. Rajan; Geetha Gopalakrishnan; T. R. Govindachari","Salannin and 3-deacetylsalannin","Acta Crystallographica Section C","1999","55","11","1952","1955","10.1107/S010827019900880X","","","1.5418","CuKα","","0.05","0.044","","","","0.134","","","","","","1.079","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009135","29.0676","0.0002","8.8013","0.0001","18.447","0.0001","90","","125.978","0.001","90","","3819.1","0.07","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,1'-Diacetylferrocene bis(thiosemicarbazone) monohydrate","","- C16 H22 Fe N6 O S2 -","- C16 H22 Fe N6 O S2 -","- C128 H176 Fe8 N48 O8 S16 -","8","1","HA1259","Wen Xiao; Zhong-Lin Lu; Rui-Ying Li; Cheng-Xong Su; Bei-Sheng Kang; S. Shanmuga Sundara Raj; Hoong-Kun Fun","1,1'-Diacetylferrocene bis(thiosemicarbazone) monohydrate","Acta Crystallographica Section C","1999","55","11","1762","1764","10.1107/S0108270199008811","","","0.71073","MoKα","","0.056","0.038","","","","0.092","","","","","","1.08","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009136","11.611","0.005","10.297","0.006","13.165","0.003","90","","115.58","0.03","90","","1419.7","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cl N4 Ni S -","- C13 H11 Cl N4 Ni S -","- C52 H44 Cl4 N16 Ni4 S4 -","4","1","HA1262","Liu, Ze-Hua; Liu, Yong-Jiang; Duan, Chun-Ying; You, Xiao-Zeng","(2-Benzoylpyridine-<i>N</i> thiosemicarbazonato-<i>N</i>^1^,<i>S</i>)chloronickel(II)","Acta Crystallographica Section C","1999","55","11","1804","1806","10.1107/S0108270199008823","","","0.71073","MoKα","","0.065","0.038","","0.091","0.08","","","","1.024","1.076","1.076","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009137","9.919","0.001","12.898","0.002","14.045","0.002","90","","101.983","0.005","90","","1757.7","0.4","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,10,13,18-tetraazatetracyclo[8.6.6.0^3,8^]docasa-3,5,7-triene-11,17-dione monohydrate","","- C18 H28 N4 O3 -","- C18 H28 N4 O3 -","- C72 H112 N16 O12 -","4","1","HA1263","Hubin, Timothy J.; Tyryshkin, Nickolay; Alcock, Nathaniel W.; Busch, Daryle H.","An <i>o</i>-xylyl cross-bridged 5,12-dioxocyclam","Acta Crystallographica Section C","1999","55","11","1888","1889","10.1107/S0108270199008835","","","0.71073","MoKα","","0.071","0.047","","","0.124","0.137","","","","","","1.061","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009138","10.7311","0.0007","23.123","0.002","11.0657","0.0008","90","","112.043","0.004","90","","2545.1","0.3","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","14,14-Dimethyl-12-oxa-tricyclo[9.2.1.03,8]tetradeca- 3,5,7-trien-13-one","","- C15 H18 O2 -","- C15 H13.5 O2 -","- C120 H108 O16 -","8","2","JA1001","Zimmer, Reinhold; Zahn, Gernot; Khan, Faiz Ahmed; Reissig, Hans-Ulrich","Configurational analysis of 14,14-dimethyl-12-oxatricyclo[9.2.1.0^3,8^]tetradeca-3,5,7-trien-13-one","Acta Crystallographica Section C","1999","55","11","1941","1943","10.1107/S0108270199009014","","","0.71073","MoKα","","0.0943","0.0514","","","","0.1185","","","","","","1.138","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009139","8.906","0.001","18.295","0.002","21.855","0.003","90","","90","","90","","3561","0.7","291","2","18","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","phenanthroline–tetraaqua–zinc(II) sulfate dihydrate","","- C12 H20 N2 O10 S Zn -","- C12 H20 N2 O10 S Zn -","- C96 H160 N16 O80 S8 Zn8 -","8","1","JA1003","Zhang, Cungen; Yu, Kaibei; Wu, Dan; Zhao, Chengxue","Tetraaqua(1,10-phenanthroline)zinc(II) sulfate dihydrate","Acta Crystallographica Section C","1999","55","11","1815","1817","10.1107/S0108270199009294","","","0.71073","MoKα","","0.073","0.035","","0.077","","0.07","","","0.841","","","1.008","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009140","11.101","0.002","8.404","0.002","12.836","0.003","90","","92.68","0.03","90","","1196.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","JZ1351","Wolska, Irena; Herold, Franciszek","4-Phenyl-2,3,5,6,7,8-hexahydro-1<i>H</i>-pyrido[1,2-<i>c</i>]pyrimidine-1,3-dione","Acta Crystallographica Section C","1999","55","11","1950","1952","10.1107/S0108270199009026","","","1.54178","CuKα","","0.0473","0.0419","","0.1397","","0.1194","","","1.049","","","1.102","","","","has coordinates,has disorder","301791","2025-08-18","23:15:33",""
"2009141","11.015","0.002","7.678","0.003","30.045","0.004","90","","99.02","0.01","90","","2509.6","1.1","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C30 H50 -","- C30 H50 -","- C120 H200 -","4","2","JZ1362","González-Platas, Javier; Ruiz-Pérez, Catalina; González, Antonio G.; Hernández Silva, Margarita; García, Candelaria; Alfayate, M. Carmen; Bermejo, Jaime","Filic-3-ene, a pentacyclic triterpene from <i>Davallia canariensis</i>","Acta Crystallographica Section C","1999","55","11","1835","1837","10.1107/S0108270199009762","","","0.71073","MoKα","","0.1598","0.0598","","","","0.1971","","","","","","0.884","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009142","8.762","0.001","9.596","0.002","16.363","0.003","90","","90","","90","","1375.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-hydroxy-3-hydroxymethyl-9-methyl-6-methyleneperhydroazuleno[4,5-b]furan- 2,8-dione","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","JZ1363","González-Platas, Javier; Ruiz-Pérez, Catalina; González, Antonio G.; Bermejo, Jaime; Medjroubi, Kamel","4β,15-Dihydro-3-dehydrosolstitialin A","Acta Crystallographica Section C","1999","55","11","1837","1839","10.1107/S010827019900918X","","","0.71073","MoKα","","0.045","0.034","","","","0.098","","","","","","1.031","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009143","9.377","0.002","9.94","0.001","15.344","0.002","93.06","0.02","98.17","0.03","98.23","0.02","1397.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diacetato-bis(3-amino-5-phenylpyrazole)zinc(II)","","- C24 H32 N6 O6 Zn -","- C24 H32 N6 O6 Zn -","- C48 H64 N12 O12 Zn2 -","2","1","KA1325","Jaćimović, Zeljko K.; Tomić, Zoran D.; Bogdanović, Goran A.; Ivegeš, Erika Z.; Leovac, Vukadin M.","Transition metal complexes with pyrazole-derived ligands. X. [Zn(CH~3~COO)~2~<i>L</i>~2~]^.^2MeOH (<i>L</i> = 3-amino-5-phenylpyrazole)","Acta Crystallographica Section C","1999","55","11","1769","1771","10.1107/S0108270199010331","","","0.71073","MoKα","","0.0845","0.0506","","0.1643","","0.1459","","","1.027","","","1.131","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009144","5.826","0.001","17.925","0.004","17.949","0.004","90","","90","","90","","1874.4","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H24 Cl5 N2 Sb -","- C8 H24 Cl5 N2 Sb -","- C32 H96 Cl20 N8 Sb4 -","4","1","KA1330","Bujak, Maciej; Zaleski, Jacek","Phase transition in bis(ethyldimethylammonium) pentachloroantimonate(III)","Acta Crystallographica Section C","1999","55","11","1775","1778","10.1107/S0108270199009464","","","0.71073","MoKα","","0.04","0.03","","","","0.079","","","","","","1.121","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009145","7.5598","0.0001","15.5263","0.0002","13.0732","0.0002","90","","98.1394","0.001","90","","1519.02","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-hydroxyphenyl)-1-(2,4-dinitrophenyl)-4-methyl-1H-pyrazole.","","- C16 H12 N4 O5 -","- C16 H12 N4 O5 -","- C64 H48 N16 O20 -","4","1","KA1331","Jeyakanthan, J.; Velmurugan, D.; Selvi, S.; Perumal, P. T","1-(2,4-Dinitrophenyl)-3-(2-hydroxyphenyl)-4-methyl-1<i>H</i>-pyrazole","Acta Crystallographica Section C","1999","55","11","1926","1928","10.1107/S0108270199008276","","","1.5418","CuKα","","0.0777","0.0524","","","","0.2397","","","","","","1.094","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2009146","7.242","0.0014","10.862","0.002","14.2846","0.0016","90","","90","","90","","1123.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-Aza-7-deaza-2'-deoxyadenosine","","","- C10 H13 N5 O3 -","- C10 H13 N5 O3 -","- C40 H52 N20 O12 -","4","1","KA1335","Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido","The anomers of 8-aza-7-deaza-2'-deoxyadenosine","Acta Crystallographica Section C","1999","55","11","1947","1950","10.1107/S010827019901015X","","","0.71073","MoKα","","0.035","0.033","","","","0.088","","","","","","1.065","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2009147","5.869","0.0006","10.8869","0.0013","17.5477","0.0014","90","","90","","90","","1121.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-(2'-deoxy-α-D-erythro-pentofuranosyl)-8-aza-7-deazaadenine","","","- C10 H13 N5 O3 -","- C10 H13 N5 O3 -","- C40 H52 N20 O12 -","4","1","KA1335","Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido","The anomers of 8-aza-7-deaza-2'-deoxyadenosine","Acta Crystallographica Section C","1999","55","11","1947","1950","10.1107/S010827019901015X","","","0.71073","MoKα","","0.046","0.041","","","","0.11","","","","","","1.065","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:33",""
"2009148","18.864","0.008","14.476","0.004","5.473","0.001","90","","90","","90","","1494.5","0.8","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Carpaine","Carpaine","","- C28 H50 N2 O4 -","- C28 H50 N2 O4 -","- C56 H100 N4 O8 -","2","0.5","NA1417","V.Kabaleeswaran; S.S.Rajan; G.N.Krishnakumari; T.R.Govindachari","Conformational flexibility of carpaine and its hydrobromide derivative","Acta Crystallographica Section C","1999","55","11","1935","1937","10.1107/S0108270199008938","","","1.5418","CuKα","","0.0462","0.0413","","","","0.1363","","","","","","1.438","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009149","11.96","0.001","7.403","0.001","18.978","0.001","90","0.01","99.67","0.01","90","0.01","1656.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Carpaine hydrobromide","Carpaine hydrobromide","","- C28 H54 Br2 N2 O5 -","- C28 H54 Br2 N2 O5 -","- C56 H108 Br4 N4 O10 -","2","1","NA1417","V.Kabaleeswaran; S.S.Rajan; G.N.Krishnakumari; T.R.Govindachari","Conformational flexibility of carpaine and its hydrobromide derivative","Acta Crystallographica Section C","1999","55","11","1935","1937","10.1107/S0108270199008938","","","1.5418","CuKα","","0.0536","0.0359","","","","0.0908","","","","","","1.101","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009150","13.4224","0.0001","11.1181","0.0001","7.5341","0.0006","90","","97.761","0.003","90","","1114.03","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-Bis(picolinoyl)hydrazine","","- C12 H10 N4 O2 -","- C12 H10 N4 O2 -","- C48 H40 N16 O8 -","4","0.5","NA1420","Sichang Shao; Dunru Zhu; You Song; Xiao Zeng You; S. Shanmuga Sundara Raj; Hoong-Kun Fun","<i>N</i>,<i>N</i>'-Bis(picolinoyl)hydrazine","Acta Crystallographica Section C","1999","55","11","1841","1843","10.1107/S0108270199009890","","","0.71073","MoKα","","0.072","0.052","","","","0.146","","","","","","1.042","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009151","9.341","0.0001","9.8782","0.0001","12.4671","0.0002","87.427","0.001","88.548","0.001","88.604","0.001","1148.53","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Chloro-2-(n-morpholinomethyl)-1-phenol","","- C11 H14 Cl N O2 -","- C11 H14 Cl N O2 -","- C44 H56 Cl4 N4 O8 -","4","2","NA1421","Hoong-Kun Fun; S. Shanmuga Sundara Raj; Kandasamy Chinnakali; Jing-Zhi Tian; Zhen Shen; Jin-Qi Zhang; Xiao-Zeng You","4-Chloro-2-(morpholinomethyl)phenol","Acta Crystallographica Section C","1999","55","11","1843","1845","10.1107/S0108270199009907","","","0.71073","MoKα","","0.154","0.065","","","","0.205","","","","","","1.007","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009152","12.783","0.004","16.645","0.003","9.834","0.003","90","","90","","90","","2092.4","1","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","endo-{6,6'-Diethoxy-2,2'-[(R)-propane-1,2-diylbis(nitrilomethylidene)] diphenolato-O,N,N',O'}oxovanadium(IV)","","","- C21 H24 N2 O5 V -","- C21 H24 N2 O5 V -","- C84 H96 N8 O20 V4 -","4","1","OA1089","Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru","<i>endo</i>-{6,6'-Diethoxy-2,2'-[(<i>R</i>)-propane-1,2-diylbis(nitrilomethylidene)]diphenolato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}oxovanadium(IV)","Acta Crystallographica Section C","1999","55","11","1812","1813","10.1107/S0108270199008847","","","0.71073","MoKα","","0.067","0.048","","","","0.12","","","","","","1.25","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009153","7.419","0.002","7.419","","19.935","0.004","90","","90","","90","","1097.3","0.4","293","","293","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","Dichlorobis(pyrimidine)cobalt(II)","","- C8 H8 Cl2 Co N4 -","- C8 H8 Cl2 Co N4 -","- C32 H32 Cl8 Co4 N16 -","4","0.25","OA1090","Hashizume, Daisuke; Takayama, Ryo; Nakayama, Kensuke; Ishida, Takayuki; Nogami, Takashi; Yasui, Masanori; Iwasaki, Fujiko","Dichlorobis(pyrimidine-<i>N</i>)cobalt(II) and its bromo derivative","Acta Crystallographica Section C","1999","55","11","1793","1797","10.1107/S0108270199009221","","","0.71073","MoKα","","0.042","0.031","","","","0.0735","","","","","","1.025","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009154","7.576","0.001","7.576","","19.889","0.002","90","","90","","90","","1141.54","0.19","293","","293","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","Dibromobis(pyrimidine)cobalt(II)","","- C8 H8 Br2 Co N4 -","- C8 H8 Br2 Co N4 -","- C32 H32 Br8 Co4 N16 -","4","0.25","OA1090","Hashizume, Daisuke; Takayama, Ryo; Nakayama, Kensuke; Ishida, Takayuki; Nogami, Takashi; Yasui, Masanori; Iwasaki, Fujiko","Dichlorobis(pyrimidine-<i>N</i>)cobalt(II) and its bromo derivative","Acta Crystallographica Section C","1999","55","11","1793","1797","10.1107/S0108270199009221","","","0.71073","MoKα","","0.0636","0.051","","","","0.1398","","","","","","1.037","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009155","7.357","0.002","15.528","0.002","15.137","0.002","90","","94.68","0.02","90","","1723.5","0.6","293.2","","293.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Cl2 N4 O2 Pt -","- C14 H20 Cl2 N4 O2 Pt -","- C56 H80 Cl8 N16 O8 Pt4 -","4","1","OA1091","Kato, Masako; Takahashi, Junko","Anion-controlled π-stacks of (ethylenediamine-<i>N</i>,<i>N</i>')(1,10-phenanthroline-<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","1999","55","11","1809","1812","10.1107/S0108270199008859","","","0.7107","MoKα","","0.041","0.026","","0.08","","0.08","","","0.929","","","0.929","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009156","7.483","0.004","15.061","0.004","18.836","0.005","90","","99.7","0.04","90","","2092.5","1.4","295.2","","295.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H16 F12 N4 P2 Pt -","- C14 H16 F12 N4 P2 Pt -","- C56 H64 F48 N16 P8 Pt4 -","4","1","OA1091","Kato, Masako; Takahashi, Junko","Anion-controlled π-stacks of (ethylenediamine-<i>N</i>,<i>N</i>')(1,10-phenanthroline-<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","1999","55","11","1809","1812","10.1107/S0108270199008859","","","0.7107","MoKα","","0.061","0.046","","0.669","","0.127","","","5.962","","","1.306","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009157","10.8176","0.0018","9.7701","0.0013","15.242","0.003","90","","108.832","0.018","90","","1524.7","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N-[phenyl(2,4,6-tri-tert-butylphenyl)selenonio]-4-toluenesulfonamidate","","- C31 H41 N O2 S Se -","- C31 H41 N O2 S Se -","- C62 H82 N2 O4 S2 Se2 -","2","1","OA1092","Yasui, Masanori; Taka, Hideo; Shimizu, Toshio; Kamigata, Nobumasa; Iwasaki, Fujiko","Absolute configuration of 2,4,6-tri-<i>tert</i>-butyl-diphenylselenonium-<i>N</i>-toluene-4'-sulfonimide","Acta Crystallographica Section C","1999","55","11","1861","1862","10.1107/S0108270199008860","","","0.71073","MoKα","","0.063","0.039","","","","0.105","","","","","","1.033","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009158","13.356","0.005","23.06","0.005","14.719","0.005","90","0.005","90","0.005","90","0.005","4533","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H25 Ca N3 O5 S2 -","- C19 H25 Ca N3 O5 S2 -","- C152 H200 Ca8 N24 O40 S16 -","8","1","OB1014","Kubo, Kanji; Yamamoto, Emi; Kato, Nobuo; Mori, Akira","<i>N</i>-(Tropon-2-yl)-1,4,7,10-tetraoxa-13-azacyclopentadecane with calcium thiocyanate","Acta Crystallographica Section C","1999","55","11","1819","1821","10.1107/S0108270199009300","","","1.54184","CuKα","","0.061","0.04","","","","0.117","","","","","","1.04","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009159","8.296","0.005","6.654","0.002","10.993","0.002","90","","101.6","0.03","90","","594.4","0.4","297","","296","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","- C20 H12 Cl4 N4 O8 -","2","0.25","OB1016","Ishida, Hiroyuki; Kashino, Setsuo","1:1 Complexes of chloranilic acid with pyrazine and morpholine: one- and two-dimensional hydrogen-bond networks","Acta Crystallographica Section C","1999","55","11","1923","1926","10.1107/S0108270199009841","","","0.71073","MoKα","","0.039","0.037","","0.087","","0.084","","","1.76","","","1.76","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009160","9.222","0.002","9.241","0.004","8.644","0.004","116.26","0.03","113.55","0.03","92.65","0.03","582.9","0.5","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Cl2 N O5 -","- C10 H11 Cl2 N O5 -","- C20 H22 Cl4 N2 O10 -","2","1","OB1016","Ishida, Hiroyuki; Kashino, Setsuo","1:1 Complexes of chloranilic acid with pyrazine and morpholine: one- and two-dimensional hydrogen-bond networks","Acta Crystallographica Section C","1999","55","11","1923","1926","10.1107/S0108270199009841","","","0.71073","MoKα","","0.046","0.045","","0.079","","0.077","","","1.51","","","1.51","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009161","13.142","0.01","15.479","0.008","14.712","0.006","90","","109.83","0.04","90","","2815","3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Chloro-(meso-tetrapropylporphyrinato)-iron(III)","","- C32 H36 Cl Fe N4 -","- C32 H36 Cl Fe N4 -","- C128 H144 Cl4 Fe4 N16 -","4","1","OB1017","Ohgo, Yoshiki; Ikeue, Takahisa; Nakamura, Mikio","Chloro(<i>meso</i>-tetrapropylporphyrinato)iron(III)","Acta Crystallographica Section C","1999","55","11","1817","1819","10.1107/S0108270199009312","","","0.71069","MoKα","","0.1109","0.052","","","","0.208","","","","","","1.11","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009162","3.3504","0.0003","5.8341","0.0007","12.07","0.005","90","","90","","90","","235.93","0.1","296.2","","295","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Fe0.33 In O3.33 Ti0.67 -","- Fe0.33 In O3.33 Ti0.67 -","- Fe1.32 In4 O13.32 Ti2.68 -","4","0.25","OH1115","Michiue, Yuichi; Brown, Francisco; Kimizuka, Noboru; Watanabe, Mamoru; Orita, Masahiro; Ohta, Hiromichi","Orthorhombic InFe~0.33~Ti~0.67~O~3.33~","Acta Crystallographica Section C","1999","55","11","1755","1757","10.1107/S0108270199009038","","","0.7107","MoKα","","0.0508","0.0323","","0.0569","","0.0569","","","3.957","","","3.957","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009163","16.249","0.002","16.3338","0.0012","17.414","0.003","81.362","0.01","87.18","0.012","67.335","0.009","4216.3","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tris[3,6-bis(2'-pyridyl)pyridazine-N^1^,N^6^]nickel(II) diperchlorate 0.11-hydrate","","- C42 H30.22 Cl2 N12 Ni O8.11 -","- C42 H30.226 Cl2 N12 Ni O8.113 -","- C168 H120.904 Cl8 N48 Ni4 O32.452 -","4","2","OS1057","Jau-Shuenn Wang; Chou-Fu Sheu; Jung-Si Lee","Tris[3,6-bis(2-pyridyl)pyridazine-<i>N</i>^1^,<i>N</i>^6^]nickel(II) diperchlorate 0.11-hydrate","Acta Crystallographica Section C","1999","55","11","1806","1809","10.1107/S0108270199009087","","","0.71073","MoKα","","0.096","0.057","","0.168","0.139","","","","1.046","1.081","1.081","","","","","has coordinates","211159","2020-10-21","18:00:00",""
"2009164","5.4902","0.0007","10.2004","0.0012","12.373","0.003","90","","100.783","0.014","90","","680.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Calcium dibarium bis(hydrogenphosphate) bis(dihydrogenphosphate)","","- Ba2 Ca H6 O16 P4 -","- Ba2 Ca H6 O16 P4 -","- Ba4 Ca2 H12 O32 P8 -","2","0.5","OS1058","Ben Tahar, Lotfi; Smiri, Leila; Driss, Ahmed","Refinement of CaBa~2~(HPO~4~)~2~(H~2~PO~4~)~2~","Acta Crystallographica Section C","1999","55","11","1757","1759","10.1107/S0108270199009427","","","0.71073","MoKα","","0.032","0.02","","0.047","","0.043","","","1.078","","","1.119","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009165","9.0081","0.001","9.5235","0.001","11.934","0.0013","97.054","0.009","105.34","0.009","106.471","0.009","924.9","0.19","295","","","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H16 Br2 Cu Hg N2 O2 -","- C17 H16 Br2 Cu Hg N2 O2 -","- C34 H32 Br4 Cu2 Hg2 N4 O4 -","2","1","OS1060","Kaynak, F. Betül; Ülkü, Dinçer; Atakol, Orhan; Durmus̨, Sefa","{[μ-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}dibromomercury(II)","Acta Crystallographica Section C","1999","55","11","1784","1785","10.1107/S0108270199009191","","","0.71073","MoKα","","","0.024","","","","0.032","","","","","","1.14","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009166","15.502","0.007","10.91","0.004","3.848","0.001","90","","90","","90","","650.8","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Niobium heptaoxide chloride","","- Cl Nb3 O7 -","- Cl Nb3 O7 -","- Cl4 Nb12 O28 -","4","0.5","QA0167","Kim, Jongmin; Dong, Yongkwan; Yun, Hoseop","Redetermination of Nb~3~O~7~Cl","Acta Crystallographica Section C","1999","55","11","IUC9900133","","10.1107/S0108270199098601","","","0.7107","MoKα","","0.038","0.037","","","","0.0981","","","","","","1.14","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009167","28.91","0.003","5.519","0.001","8.601","0.002","90","","95.25","0.01","90","","1366.6","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,5-Diphenylpentane-2,4-dione","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","0.5","QA0181","Pulkkinen, Juha T.; Ahlgrén, Markku J.","1,5-Diphenylpentane-2,4-dione and 1,5-bis(2-naphthyl)pentane-2,4-dione","Acta Crystallographica Section C","1999","55","11","IUC9900142","","10.1107/S0108270199098546","","","1.54178","CuKα","","0.04","0.035","","","","0.098","","","","","","1.071","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009168","37.501","0.008","5.805","0.001","8.313","0.002","90","","90.09","0.03","90","","1809.7","0.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,5-Di-(2-naphtyl)pentane-2,4-dione","","- C25 H20 O2 -","- C25 H20 O2 -","- C100 H80 O8 -","4","0.5","QA0181","Pulkkinen, Juha T.; Ahlgrén, Markku J.","1,5-Diphenylpentane-2,4-dione and 1,5-bis(2-naphthyl)pentane-2,4-dione","Acta Crystallographica Section C","1999","55","11","IUC9900142","","10.1107/S0108270199098546","","","0.71073","MoKα","","0.0794","0.0441","","","","0.0931","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009169","14.9099","0.0013","14.9099","0.0013","8.548","0.002","90","","90","","90","","1900.3","0.5","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","5-Hydroxy-1-phosphabicyclo[3.3.1]nonansulfide","","- C8 H15 O P S -","- C8 H15 O P S -","- C64 H120 O8 P8 S8 -","8","1","QA0182","Ziemer, Burkhard; Krauss, Babett","5-Hydroxy-1-phosphabicyclo[3.3.1]nonane <i>P</i>-sulfide","Acta Crystallographica Section C","1999","55","11","IUC9900143","","10.1107/S0108270199098534","","","0.71073","MoKα","","0.021","0.02","","0.055","0.054","","","","1.079","1.083","1.083","","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009170","13.108","0.003","11.694","0.002","13.41","0.003","90","","116.71","0.02","90","","1836.2","0.7","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cis-1-Phosphabicyclo[4.3.0]nonansulfide","","- C8 H15 P S -","- C8 H15 P S -","- C64 H120 P8 S8 -","8","2","QA0183","Krauss, Babett; Ziemer, Burkhard","<i>cis</i>-1-Phosphabicyclo[4.3.0]nonane <i>P</i>-sulfide","Acta Crystallographica Section C","1999","55","11","IUC9900148","","10.1107/S0108270199098522","","","0.71073","MoKα","","0.058","0.035","","0.105","0.079","","","","0.925","1.062","1.062","","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009171","12.208","0.0015","8.4399","0.0012","16.375","0.003","90","","100.429","0.01","90","","1659.3","0.4","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","ap 9-(o-Isopropylphenyl)-9-fluorenol","","- C22 H20 O -","- C22 H20 O -","- C88 H80 O4 -","4","1","QB0106","Hou, Yuqing; Robinson, Paul D.; Meyers, Cal Y.","<i>ap</i>-9-(<i>o</i>-Isopropylphenyl)-9-fluorenol","Acta Crystallographica Section C","1999","55","11","IUC9900144","","10.1107/S0108270199098510","","","0.71069","MoKα","","0.116","0.036","","","","0.114","","","","","","1.001","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009172","8.746","0.005","23.837","0.005","9.982","0.005","90","","125.43","0.03","90","","1695.7","1.5","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","AP-9-(o-isopropylphenyl)-9-fluorenyl Peroxide","","- C44 H38 O2 -","- C44 H38 O2 -","- C88 H76 O4 -","2","0.5","QB0107","Robinson, Paul D.; Hou, Yuqing; Meyers, Cal Y.","<i>ap</i>-9-(<i>o</i>-Isopropylphenyl)-9-fluorenyl peroxide","Acta Crystallographica Section C","1999","55","11","IUC9900147","","10.1107/S0108270199098509","","","0.71069","MoKα","","0.137","0.04","","","","0.121","","","","","","1.01","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009173","8.1295","0.0011","13.7607","0.0013","10.0224","0.0019","90","","107.804","0.01","90","","1067.5","0.3","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(+)-(2S,3S,4S,5S,R~S~)-2-{N-[(R)-1-Hydroxy-3-methylbut-2-yl]-4-methylphenyl- sulfonimidoylmethyl}-4-hydroxy-3-methyl-1-azabicyclo[3.3.0]octane","","- C21 H34 N2 O3 S -","- C21 H34 N2 O3 S -","- C42 H68 N4 O6 S2 -","2","1","QB0109","Heinrich, Timo; Reggelin, Michael; Bats, Jan W.","(+)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>,<i>R</i>~S~)-4-Hydroxy-2-{<i>N</i>-[(<i>R</i>)-1-Hydroxy-3-methylbut-2-yl]-4-methylphenylsulfonimidoylmethyl}-3-methyl-1-azabicyclo[3.3.0]octane at 153K","Acta Crystallographica Section C","1999","55","11","IUC9900131","","10.1107/S0108270199098492","","","0.71073","MoKα","","0.0835","0.0633","","","","0.1417","","","","","","1.277","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009174","9.0144","0.0003","18.0745","0.0004","9.1181","0.0003","90","","90.548","0.002","90","","1485.55","0.08","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Hydroxyisochroman-3-one","","- C9 H8 O3 -","- C9 H8 O3 -","- C72 H64 O24 -","8","2","QB0110","Kresge, A. J.; Lough, Alan J.; Popik, V. V.","4-Hydroxyisochroman-3-one","Acta Crystallographica Section C","1999","55","11","IUC9900138","","10.1107/S0108270199098480","","","0.71073","MoKα","","0.064","0.04","","","","0.105","","","","","","0.994","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009175","27.22","0.003","4.1574","0.0006","17.2303","0.0014","90","","123.817","0.006","90","","1620","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-Dihydrobenzo[c]thiophene-1-carboxylic Acid","","- C9 H8 O2 S -","- C9 H8 O2 S -","- C72 H64 O16 S8 -","8","1","QB0112","Kresge, A. J.; Lough, Alan J.; Popik, V. V.","1,3-Dihydrobenzo[<i>c</i>]thiophene-1-carboxylic acid","Acta Crystallographica Section C","1999","55","11","IUC9900139","","10.1107/S0108270199098479","","","0.71073","MoKα","","0.049","0.036","","","","0.098","","","","","","1.088","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009176","7.9452","0.0003","3.9485","0.0002","8.7627","0.0004","90","","102.119","0.003","90","","268.77","0.02","100","0.1","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","2-Hydroxy-N-methylcyanoacetamide","","- C4 H6 N2 O2 -","- C4 H6 N2 O2 -","- C8 H12 N4 O4 -","2","1","QB0114","Kresge, A. J.; Lough, Alan J.; Popik, V. V.","2-Hydroxy-<i>N</i>-methylcyanoacetamide","Acta Crystallographica Section C","1999","55","11","IUC9900140","","10.1107/S0108270199098467","","","0.71073","MoKα","","0.026","0.024","","","","0.061","","","","","","1.066","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009177","7.108","0.001","25.795","0.001","10.69","0.001","90","","94.88","0.01","90","","1952.9","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Napthalene-2,3-diolato)(1,3-diphenylpropen-1,3-diolato)boron","","- C25 H17 B O4 -","- C25 H17 B O4 -","- C100 H68 B4 O16 -","4","1","QB0115","Lim, Hock Chuan; Tou, Teck Yong; Ng, Seik Weng; Huang, You-Qing; Hu, Sheng-Zhi; Rapta, Peter; Chow, Yuan L.; Ishiyama, Jun-Ichi","(1,3-Diphenylpropene-1,3-diolato)(naphthalene-2,3-diolato)boron","Acta Crystallographica Section C","1999","55","11","IUC9900135","","10.1107/S0108270199098455","","","1.54178","CuKα","","0.095","0.06","","","","0.18","","","","","","1.014","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009178","9.986","0.001","14.823","0.002","9.514","0.001","98.24","0.01","91.32","0.01","80.49","0.01","1374.6","0.3","297","","","","","","","","","","","3","P 1","P 1","1","","","","- C34 H34 O4 -","- C34 H34 O4 -","- C68 H68 O8 -","2","2","QB0116","Hamazaki, Hiroshi; Hosomi, Hiroyuki; Ohba, Shigeru","A triclinic polymorph of (<i>R</i>,<i>R</i>)-(–)-<i>trans</i>-1,4-dioxaspiro[4,5]decane-2,3-diylbis(diphenylmethanol)","Acta Crystallographica Section C","1999","55","11","IUC9900132","","10.1107/S0108270199098443","","","0.71073","MoKα","","","0.035","","","","0.083","","","","","","1.05","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009179","11.964","0.003","10.021","0.003","25.021","0.006","90","","94.69","0.02","90","","2989.8","1.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","fac-[aqua-tricarbonyl-(1,2-bis(diphenylphosphino)ethane-P,P')manganese] tetrafluoroborate","","- C29 H26 B F4 Mn O4 P2 -","- C29 H26 B F4 Mn O4 P2 -","- C116 H104 B4 F16 Mn4 O16 P8 -","4","1","QB0117","Becker, Thomas M.; Krause Bauer, Jeanette A.","<i>fac</i>-Aqua[1,2-bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']tricarbonylmanganese tetrafluoroborate (monoclinic form)","Acta Crystallographica Section C","1999","55","11","IUC9900141","","10.1107/S010827019909856X","","","0.71073","MoKα","","0.097","0.054","","0.279","","0.126","","","","","","1.059","","","","has coordinates,has Fobs","201201","2020-10-21","18:00:00",""
"2009180","4.9511","0.001","8.0427","0.0016","8.4362","0.0017","90","","90","","90","","335.93","0.12","293","2","293","2","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ag2 Ba -","- Ag2 Ba -","- Ag8 Ba4 -","4","0.25","QB0118","Kang, Sung Kwon; Miller, Gordon J.","BaAg~2~","Acta Crystallographica Section C","1999","55","11","IUC9900134","","10.1107/S0108270199098595","","","0.71073","MoKα","","0.057","0.037","","","","0.074","","","","","","1.277","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009181","10.72","0.002","10.7","0.002","15.35","0.002","90","","90","","90","","1760.7","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H6 N2 O4 -","- C9 H6 N2 O4 -","- C72 H48 N16 O32 -","8","1","QB0119","Kovalevsky, A. Yu.; Ponomarev, I. I.","2-Methyl-7-nitro-4<i>H</i>-3,1-benzoxazin-4-one","Acta Crystallographica Section C","1999","55","11","IUC9900136","","10.1107/S0108270199098431","","","0.71073","MoKα","","0.072","0.041","","0.149","","0.119","","","1","","","1.195","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009182","10.8394","0.0006","10.9358","0.0006","12.7335","0.0007","83.858","0.001","66.789","0.001","84.065","0.001","1376.16","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2,2'-Dipyridyl-N,N')bis(1,1,1- trifluoro-4-phenylbutane-2,4-dionato-O,O')manganese(II)","","- C30 H20 F6 Mn N2 O4 -","- C30 H20 F6 Mn N2 O4 -","- C60 H40 F12 Mn2 N4 O8 -","2","1","QB0121","Dickman, Michael H.","(2,2'-Bipyridyl-<i>N</i>,<i>N</i>')bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionato-<i>O</i>,<i>O</i>')manganese(II) at 173K","Acta Crystallographica Section C","1999","55","11","IUC9900146","","10.1107/S0108270199098558","","","0.71073","MoKα","","0.076","0.045","","","","0.13","","","","","","1.014","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009183","9.563","0.002","9.563","0.002","23.347","0.005","90","","90","","90","","2135.1","0.8","150","2","150","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Tetrachloro(1,2-dimethoxyethane)titanium(IV)","","- C4 H10 Cl4 O2 Ti -","- C4 H10 Cl4 O2 Ti -","- C32 H80 Cl32 O16 Ti8 -","8","0.5","QB0122","Batsanov, Andrei S.; Howard, Judith A. K.; Hughes, Andrew K.; Kingsley, Andrew J.","Tetrachloro(1,2-dimethoxyethane-<i>O</i>,<i>O</i>')titanium(IV)","Acta Crystallographica Section C","1999","55","11","IUC9900137","","10.1107/S0108270199098571","","","0.71073","MoKα","","0.02","0.019","","","","0.052","","","","","","1.016","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009184","8.5812","0.001","9.9084","0.0011","5.8016","0.0009","90","","105.128","0.01","90","","476.19","0.11","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H Na2 O5 P Zn -","- H Na2 O5 P Zn -","- H4 Na8 O20 P4 Zn4 -","4","1","QB0123","Ng, Hunt Y.; Harrison, William T. A.","Sodium zinc phosphate hydroxide, Na~2~Zn(OH)PO~4~","Acta Crystallographica Section C","1999","55","11","IUC9900145","","10.1107/S0108270199098583","","","0.71073","MoKα","","","0.0295","","","","0.0307","","","","","","0.997","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009185","6.3618","0.0014","7.5586","0.0012","11.059","0.002","90","","90","","90","","531.79","0.17","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F5 H8 N2 Ti -","- F5 H8 N2 Ti -","- F20 H32 N8 Ti4 -","4","0.5","SK1262","Dadachov, Mike; Eriksson, Lars","Diammonium titanium pentafluoride, (NH~4~)~2~TiF~5~, containing Ti^3+^","Acta Crystallographica Section C","1999","55","11","1739","1741","10.1107/S0108270199008689","","","0.71073","MoKα","","0.0779","0.0333","","","","0.0649","","","","","","0.737","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009186","21.897","0.002","6.8919","0.0005","21.694","0.002","90","","90.953","0.007","90","","3273.4","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","21,22,23,24-Tetraoxaquaterene-2,7,12,17-tetraspirocyclohexane","","- C40 H48 O4 -","- C40 H48 O4 -","- C160 H192 O16 -","4","0.5","SK1288","Pajewski, Robert; Pęcak, Agnieszka; Ostaszewski, Ryszard; Jurczak, Janusz","Tetracyclohexyloxaquaterene","Acta Crystallographica Section C","1999","55","","1862","1864","10.1107/S0108270199009099","","","1.54178","CuKα","","0.067","0.051","","0.146","","0.135","","","1.154","","","1.154","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009187","28.194","0.001","9.5793","0.0004","6.905","0.0003","90","","90","","90","","1864.89","0.13","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","5-Nitroisophthalic acid hydrate","","- C8 H7 N O7 -","- C8 H7 N O7 -","- C64 H56 N8 O56 -","8","1","SK1301","Ajit Kumar Mahapatra; Avijit Adak; Shyamaprosad Goswami; Gur Dayal Nigam; Kandasamy Chinnakali; S. Shanmuga Sundara Raj; Ibrahim Abdul Razak; Hoong-Kun Fun","5-Nitroisophthalic acid hydrate","Acta Crystallographica Section C","1999","55","11","1845","1847","10.1107/S0108270199009105","","","0.71073","MoKα","","0.105","0.056","","","","0.127","","","","","","1.03","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009188","9.6596","0.0018","7.0354","0.0012","12.436","0.002","90","","90","","90","","845.1","0.3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Rubidiumtetrathiomolybdat","dirubidium tetrasulfidomolybdate(2-)","","- Mo Rb2 S4 -","- Mo Rb2 S4 -","- Mo4 Rb8 S16 -","4","0.5","SK1304","Ellermeier, Jan; Näther, Christian; Bensch, Wolfgang","Rb~2~MoS~4~","Acta Crystallographica Section C","1999","55","11","1748","1751","10.1107/S0108270199008549","","","0.71073","MoKα","","0.048","0.027","","","","0.066","","","","","","0.998","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009189","19.7378","0.001","5.5717","0.0002","25.6759","0.0011","90","","128.311","0.003","90","","2215.6","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-Bipyridyl–4,4–thiodiphenol (3/2)","","- C54 H44 N6 O4 S2 -","- C54 H44 N6 O4 S2 -","- C108 H88 N12 O8 S4 -","2","0.5","SK1306","Lough, Alan J.; Gregson, Richard M.; Ferguson, George; Glidewell, Christopher","Centrosymmetric molecular strings in the hydrogen-bonded structure of 4,4'-bipyridyl–4,4'-thiodiphenol (3/2)","Acta Crystallographica Section C","1999","55","11","1890","1892","10.1107/S0108270199008963","","","0.71073","MoKα","","0.0774","0.0405","","","","0.1016","","","","","","0.956","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009190","21.097","0.005","5.356","0.007","26.09","0.004","90","","107.173","0.013","90","","2817","4","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N-phenyl-5-benzylidene-rhodanine","3-phenyl-5-(phenylmethylidene)-2-thioxo-1,3-thiazolidin-4-one","","- C16 H11 N O S2 -","- C16 H11 N O S2 -","- C128 H88 N8 O8 S16 -","8","1","SK1307","Linden, Anthony; Awad, Enas M. A. H.; Heimgartner, Heinz","A rhodanine derivative and its cycloadduct with diphenyl nitrile imine","Acta Crystallographica Section C","1999","55","11","1877","1881","10.1107/S0108270199008975","","","0.71069","MoKα","","0.0729","0.0481","","","","0.1582","","","","","","1.032","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009191","9.91","0.003","16.737","0.003","14.412","0.002","90","","93.571","0.017","90","","2385.8","0.9","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4,9-triphenyl-7-(phenymethylidene)-1,6-dithia-3,4,9- triazaspiro[4.4]non-2-en-8-one","","- C29 H21 N3 O S2 -","- C29 H21 N3 O S2 -","- C116 H84 N12 O4 S8 -","4","1","SK1307","Linden, Anthony; Awad, Enas M. A. H.; Heimgartner, Heinz","A rhodanine derivative and its cycloadduct with diphenyl nitrile imine","Acta Crystallographica Section C","1999","55","11","1877","1881","10.1107/S0108270199008975","","","0.71069","MoKα","","0.0747","0.0431","","","","0.1152","","","","","","1.035","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009192","10.7817","0.0003","7.4435","0.0002","15.9041","0.0004","90","","95.405","0.001","90","","1270.69","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-azido-bis[2-(2-aminoethyl)pyridine-aquo]dicopper(II) diperchlorate","","- C14 H24 Cl2 Cu2 N10 O10 -","- C14 H24 Cl2 Cu2 N10 O10 -","- C28 H48 Cl4 Cu4 N20 O20 -","2","0.5","SK1311","Ibrahim Abdul Razak; Hoong-Kun Fun; Kandasamy Chinnakali; S. Shanmuga Sundara Raj; Jia-Cheng Liu; Xiao-Zeng You","Di-μ-azido-bis{[2-(2-aminoethyl)pyridine-<i>N</i>,<i>N</i>']aquacopper(II)} diperchlorate","Acta Crystallographica Section C","1999","55","11","1764","1766","10.1107/S0108270199008987","","","0.71073","MoKα","","0.037","0.03","","","","0.082","","","","","","1.1","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009193","9.877","0.001","4.737","0.001","12.877","0.001","90","","112.044","0.002","90","","558.44","0.14","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","DL-cysteine","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","SK1312","Luger, Peter; Weber, Manuela","<small>DL</small>-Cysteine at 298K","Acta Crystallographica Section C","1999","55","11","1882","1885","10.1107/S0108270199009208","","","0.71073","MoKα","","0.074","0.06","","","","0.202","","","","","","1.06","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009194","10.9776","0.0001","14.0734","0.0002","17.3262","0.0002","90","","90","","90","","2676.76","0.05","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","11-carboxylatomethyl-15-carboxymethyl- 11,15-diazonia-3,23-dioxa-28-thiatetracyclo[23.2.1.0^4,9^.0^17,22^octacosa- 4,6,8,17,19,21,25,27-octene bromide","","- C27 H31 Br N2 O6 S -","- C27 H31 Br N2 O6 S -","- C108 H124 Br4 N8 O24 S4 -","4","0.5","SK1313","Yin-Han Zhang; Suchada Chantrapromma; S. Shanmuga Sundara Raj; Hoong-Kun Fun; Yu-Peng Tian; Fu-Xin Xie; Zu-Yao Chen","11-Carboxylatomethyl-15-carboxymethyl-11,15-diazonia-3,23-dioxa-28-thiatetracyclo[23.2.1.0^4,9^.0^17,22^]octacosa-4,6,8,17,19,21,25,27-octaene bromide","Acta Crystallographica Section C","1999","55","11","1839","1841","10.1107/S0108270199009117","","","0.71073","MoKα","","0.075","0.057","","","","0.182","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2009195","8.6658","0.0004","8.3101","0.0004","13.1431","0.0005","90","","98.336","0.001","90","","936.48","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-1,2-bis(3,4-dihydro-1-methoxynaphthalen-2-yl)ethylene","","- C24 H24 O2 -","- C24 H24 O2 -","- C48 H48 O4 -","2","0.5","SK1314","Jayanta Kumar Ray; Susmita Gupta; S. Shanmuga Sundara Raj; Hoong-Kun Fun","(<i>E</i>)-1,2-Bis(3,4-dihydro-1-methoxynaphthalen-2-yl)ethylene","Acta Crystallographica Section C","1999","55","11","1847","1849","10.1107/S010827019900921X","","","0.71073","MoKα","","0.068","0.048","","","","0.14","","","","","","1.051","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009196","3.7335","0.0007","20.116","0.004","18.033","0.004","90","","91.708","0.005","90","","1353.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-Bipyridyl 3,4-dihydroxy-3-cyclobutenedione (2/3)","","- C32 H22 N4 O12 -","- C32 H22 N4 O12 -","- C64 H44 N8 O24 -","2","0.5","SK1316","MacLean, Elizabeth J.; Wheatley, Paul S.; Ferguson, George; Glidewell, Christopher","Self-templating of large rings by small rings in 4,4'-bipyridyl‒3,4-dihydroxy-3-cyclobutene-1,2-dione (2/3)","Acta Crystallographica Section C","1999","55","11","1892","1896","10.1107/S010827019900952X","","","0.6891","synchrotron","","0.12","0.058","","","","0.144","","","","","","0.894","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009197","8.3594","0.0003","6.936","0.0004","9.5026","0.0003","90","","109.462","0.002","90","","519.49","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Piperazinium squarate dihydrate","Piperazine‒3,4-dihydroxy-3-butenedione‒water (1/1/2)","","- C8 H16 N2 O6 -","- C8 H16 N2 O6 -","- C16 H32 N4 O12 -","2","0.5","SK1317","MacLean, Elizabeth J.; Wheatley, Paul S.; Ferguson, George; Glidewell, Christopher; Lough, Alan J.","A three-dimensional hydrogen-bonded framework in piperazine‒3,4-dihydroxy-3-cyclobutene-1,2-dione‒water (1/1/2)","Acta Crystallographica Section C","1999","55","11","1896","1899","10.1107/S0108270199009531","","","0.71073","MoKα","","0.049","0.037","","","","0.098","","","","","","1.088","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009198","8.3393","0.0008","6.936","0.0007","9.5034","0.0009","90","","109.294","0.002","90","","518.82","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Piperazinium squarate dihydrate","Piperazine‒3,4-dihydroxy-3-butenedione‒water (1/1/2)","","- C8 H16 N2 O6 -","- C8 H16 N2 O6 -","- C16 H32 N4 O12 -","2","0.5","SK1317","MacLean, Elizabeth J.; Wheatley, Paul S.; Ferguson, George; Glidewell, Christopher; Lough, Alan J.","A three-dimensional hydrogen-bonded framework in piperazine‒3,4-dihydroxy-3-cyclobutene-1,2-dione‒water (1/1/2)","Acta Crystallographica Section C","1999","55","11","1896","1899","10.1107/S0108270199009531","","","0.6891","synchrotron","","0.049","0.043","","","","0.115","","","","","","1.069","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009199","7.5611","0.0002","8.1393","0.0001","18.9671","0.0004","90","","94.798","0.001","90","","1163.18","0.04","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-Methoxy-2-methylnaphtho[1,2-b]thiophene","","- C14 H12 O S -","- C14 H12 O S -","- C56 H48 O4 S4 -","4","1","SK1318","Jayanta Kumar Ray; Dipanjan Pan; S. Shanmuga Sundara Raj; Hoong-Kun Fun","7-Methoxy-2-methylnaphtho[1,2-<i>b</i>]thiophene","Acta Crystallographica Section C","1999","55","11","1849","1850","10.1107/S0108270199009543","","","0.71073","MoKα","","0.057","0.041","","","","0.121","","","","","","1.043","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009200","16.318","0.001","7.362","0.001","8.229","0.001","90","","113.09","0.01","90","","909.38","0.19","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H18 Br4 Ge N2 -","- C14 H18 Br4 Ge N2 -","- C28 H36 Br8 Ge2 N4 -","2","0.25","SK1320","Hensen, Karl; Faber, Alexander; Bolte, Michael","<i>trans</i>-Tetrabromobis(3,5-dimethylpyridine)germanium(IV), a non-merohedral twin","Acta Crystallographica Section C","1999","55","11","1774","1775","10.1107/S0108270199010409","","","0.71073","MoKα","","0.0934","0.0588","","","","0.1593","","","","","","0.998","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009201","9.7615","0.0009","13.0362","0.0012","9.7878","0.0009","90","","90.199","0.002","90","","1245.5","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Hexamethylenetetramine–2,2'-biphenol (1/2)","","- C30 H32 N4 O4 -","- C30 H32 N4 O4 -","- C60 H64 N8 O8 -","2","1","SK1324","MacLean, Elizabeth J.; Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J.","Hexamethylenetetramine is a fourfold acceptor of O—H···N hydrogen bonds in its 1:2 adduct with 2,2'-biphenol","Acta Crystallographica Section C","1999","55","11","1867","1870","10.1107/S0108270199010422","","","0.6888","synchrotron","","0.075","0.066","","","","0.144","","","","","","1.101","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009202","14.19","0.003","57.435","0.01","17.4063","0.0018","90","","90","","90","","14186","4","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","C-Ile","Cytosinyl-L-isoleucine dipeptide","","- C52 H99 N16 O25.5 -","- C53 H99 N16 O24.5 -","- C424 H792 N128 O196 -","8","1","SX1078","Mitsunobu Doi; Kazuto Tsunemichi; Akiko Asano; Mariko Tarui; Toshimasa Ishida; Masaaki Shiono","<i>N</i>-[3-(Cytosin-1-yl)propionyl]-<small>L</small>-isoleucine, a heavily hydrated structure with four cytosine‒isoleucine hybrids in the asymmetric unit","Acta Crystallographica Section C","1999","55","11","1865","1867","10.1107/S0108270199003650","","","1.5418","CuKα","","0.086","0.076","","","","0.222","","","","","","1.003","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009203","14.024","0.0019","18.884","0.001","19.6861","0.0016","90","","91.056","0.008","90","","5212.6","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H56.34 I0.17 O6.49 P4 Re1.83 -","- C55 H56 I0.17 O6.49 P4 Re1.83 -","- C220 H224 I0.68 O25.96 P16 Re7.32 -","4","1","SX1086","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo; Domínguez, Sixto; Mederos, Alfredo","[ReO~2~(dppp)~2~]I~<i>x~</i>[ReO~4~]~1-<i>x~</i>^.^<i>x</i>H~2~O^.^CH~3~OH for <i>x</i> = 0.17 (1), 0.36 (1) and 1 [dppp is 1,3-bis(diphenylphosphino)propane]","Acta Crystallographica Section C","1999","55","11","1785","1789","10.1107/S0108270199008628","","","0.71069","MoKα","","0.109","0.057","","","","0.171","","","","","","1.041","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009204","13.943","0.005","18.864","0.004","19.671","0.008","90","","91.23","0.03","90","","5173","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H56.72 I0.36 O5.92 P4 Re1.64 -","- C55 H56 I0.358 O5.926 P4 Re1.642 -","- C220 H224 I1.432 O23.704 P16 Re6.568 -","4","1","SX1086","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo; Domínguez, Sixto; Mederos, Alfredo","[ReO~2~(dppp)~2~]I~<i>x~</i>[ReO~4~]~1-<i>x~</i>^.^<i>x</i>H~2~O^.^CH~3~OH for <i>x</i> = 0.17 (1), 0.36 (1) and 1 [dppp is 1,3-bis(diphenylphosphino)propane]","Acta Crystallographica Section C","1999","55","11","1785","1789","10.1107/S0108270199008628","","","0.71069","MoKα","","0.11","0.064","","","","0.179","","","","","","1.018","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009205","13.832","0.007","18.746","0.01","19.654","0.007","90","","90.99","0.03","90","","5095","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[1,3-bis(diphenylphosphino)propane]dioxorhenium(V) iodide methanol solvate monohydrate","","- C55 H58 I O4 P4 Re -","- C55 H58 I O4 P4 Re -","- C220 H232 I4 O16 P16 Re4 -","4","1","SX1086","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo; Domínguez, Sixto; Mederos, Alfredo","[ReO~2~(dppp)~2~]I~<i>x~</i>[ReO~4~]~1-<i>x~</i>^.^<i>x</i>H~2~O^.^CH~3~OH for <i>x</i> = 0.17 (1), 0.36 (1) and 1 [dppp is 1,3-bis(diphenylphosphino)propane]","Acta Crystallographica Section C","1999","55","11","1785","1789","10.1107/S0108270199008628","","","0.71069","MoKα","","0.12","0.077","","","","0.247","","","","","","1.049","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009206","8.889","0.001","8.107","0.001","28.715","0.001","90","","94.68","0.01","90","","2062.4","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-bis(ethylenediamine)-bis(pyridyl)nickel(II) nitrate","","- C14 H26 N8 Ni O6 -","- C14 H26 N8 Ni O6 -","- C56 H104 N32 Ni4 O24 -","4","1","SX1089","Baldwin, Michael J.; Krause Bauer, Jeanette A.","<i>cis</i>-Bis(ethylenediamine)bis(pyridine)nickel(II) dinitrate","Acta Crystallographica Section C","1999","55","11","1772","1773","10.1107/S0108270199010458","","","0.71073","MoKα","","0.102","0.055","","","","0.118","","","","","","1.018","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009207","6.484","0.0011","15.208","0.0011","28.047","0.003","90","","90","","90","","2765.7","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","[3S-(3a,3aα,5aβ,9aα,9bβ)]-9a-Acetyl-3a,4,5,5a,9a,9b-hexahydro -3,5a-dimethyl-2H-furo[3,2-h][1]benzopyran-2,8(3H)-dione,","","- C15 H18 O5 -","- C15 H18 O5 -","- C120 H144 O40 -","8","2","SX1090","Bates, R. B.; Malik, B. L.; Paknikar, S. K.; McClure, K. J.; Carducci, M. D.","An unexpected oxidation product of α-santonin","Acta Crystallographica Section C","1999","55","11","1881","1882","10.1107/S010827019901046X","","","0.71073","MoKα","","0.14","0.048","","","","0.118","","","","","","1.004","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009208","12.5471","0.0002","17.0445","0.0001","16.7432","0.0003","90","","111.06","0.001","90","","3341.51","0.09","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H37 Cl3 Ir N2 O2 P -","- C33 H37 Cl3 Ir N2 O2 P -","- C132 H148 Cl12 Ir4 N8 O8 P4 -","4","1","TA1247","Dinger, Maarten B.; Henderson, William; Oliver, Allen G.; Rickard, Clifton E. F.","[<i>N</i>-Acetyl-<i>N</i>'-methylureato(2 ‒)-<i>N</i>,<i>N</i>'](η^5^-pentamethylcyclopentadienyl)(triphenylphosphine-<i>P</i>)iridium(III) chloroform solvate","Acta Crystallographica Section C","1999","55","11","1778","1780","10.1107/S0108270199007581","","","0.71073","MoKα","","0.04","0.028","","","","0.066","","","","","","1.067","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009209","12.346","0.003","20.167","0.007","11.269","0.003","97.49","0.02","101.12","0.02","106.44","0.02","2589.1","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H58 Cu4 N2 O Se6 -","- C45 H58 Cu4 N2 O Se6 -","- C90 H116 Cu8 N4 O2 Se12 -","2","1","TA1255","Jin, Xianglin; Tang, Kaluo; Long, Yaoling; Tang, Youqi","A tetranuclear copper(I) cluster complex with a benzeneselenolate ligand, (Me~4~N)~2~[Cu~4~(SePh)~6~]^.^CH~3~OH","Acta Crystallographica Section C","1999","55","11","1799","1800","10.1107/S0108270199009403","","","0.71073","MoKα","","0.149","0.043","","","","0.108","","","","","","0.957","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009210","7.503","0.008","9.702","0.005","10.501","0.003","93.93","0.04","103.99","0.03","107.26","0.07","700.2","0.9","293","2","","","","","","","","","","5","P -1","-P 1","2","","4-Benzoimidazol-2-yl-pyridinium N-oxide dihydrogenphosphate monohydrate","","- C12 H14 N3 O6 P -","- C12 H14 N3 O6 P -","- C24 H28 N6 O12 P2 -","2","1","TA1261","Zhang, Bing-guang; Liu, Yong-Jiang; Gou, Shao-hua; Duan, Chun-Ying; You, Xiao-Zeng","4-(1<i>H</i>,3<i>H</i>^+^-1,3-Benzimidazol-2-ylio)pyridine <i>N</i>-oxide dihydrogenphosphate monohydrate","Acta Crystallographica Section C","1999","55","11","1929","1930","10.1107/S0108270199010185","","","0.71073","MoKα","","0.041","0.033","","0.094","0.089","","","","1.065","1.086","1.086","","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009211","9.272","0.002","11.134","0.008","10.434","0.005","90","","113.86","0.02","90","","985.1","0.9","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","1,3-propane sultone","3-hydroxy-1-propanesulfonic acid γ-sultone","","- C3 H6 O3 S -","- C3 H6 O3 S -","- C24 H48 O24 S8 -","8","4","BK1475","Billodeaux, Damon R.; Owens, Clyde V.; Sayes, Christie M.; Soper, Steven A.; Fronczek, Frank R.","Pseudosymmetry with <i>Z</i>' = 4 in 1,3-propanesultone at 100K","Acta Crystallographica Section C","1999","55","12","2126","2129","10.1107/S0108270199011592","","","0.71073","MoKα","","0.049","0.039","","","","0.11","","","","","","1.042","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009212","13.177","0.002","5.111","0.001","12.972","0.002","90","","116.63","0.01","90","","781","0.2","293","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Copper(II) hydrogenphthalate dihydrate","","- C16 H14 Cu O10 -","- C16 H14 Cu O10 -","- C32 H28 Cu2 O20 -","2","0.5","BK1480","Rodrigues, Bernardo Lages; Costa, Marcia D. D.; Fernandes, Nelson G.","Diaquabis(hydrogen phthalato)copper(II), a new phase","Acta Crystallographica Section C","1999","55","12","1997","2000","10.1107/S0108270199011610","","","0.71073","MoKα","","0.035","0.029","","","","0.092","","","","","","1.11","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009213","11.793","0.007","7.766","0.002","14.926","0.004","90","","96.65","0.04","90","","1357.8","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","acetylferrocene thiosemicarbazone","","- C13 H15 Fe N3 S -","- C13 H15 Fe N3 S -","- C52 H60 Fe4 N12 S4 -","4","1","BK1482","Fang, Chen-Jie; Han, Gang; Liu, Yong-Jiang; Duan, Chun-Ying; Meng, Qing-Jin","Acetylferrocene thiosemicarbazone","Acta Crystallographica Section C","1999","55","12","2058","2060","10.1107/S010827019901077X","","","0.71073","MoKα","","0.052","0.044","","0.126","0.114","","","","1.085","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009214","5.894","0.001","8.806","0.001","17.176","0.001","90","","92.92","0.01","90","","890.32","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(2-hydroxy-5-methylbenzyl)piperazine","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C40 H52 N4 O4 -","2","0.5","BK1485","Kuppayee, M.; Kumaran, D.; Ponnuswamy, M. N.; Kandaswamy, M.; Jayanthi Violet, M.; Chinnakali, K.; Hoong-Kun Fun","1,4-Bis(2-hydroxy-5-methylbenzyl)piperazine","Acta Crystallographica Section C","1999","55","12","2147","2149","10.1107/S0108270199010781","","","0.71073","MoKα","","0.068","0.044","","0.134","0.12","","","","0.868","0.975","0.975","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009215","15.144","0.003","8.672","0.001","14.23","0.003","90","","124.79","0.01","90","","1534.8","0.5","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H12 Cl6 N6 Sn -","- C2 H12 Cl6 N6 Sn -","- C8 H48 Cl24 N24 Sn4 -","4","0.5","BK1486","Ishida, Hiroyuki; Furukawa, Yoshihiro; Kashino, Setsuo","Bis(guanidinium) hexachlorostannate(IV)","Acta Crystallographica Section C","1999","55","12","1995","1997","10.1107/S0108270199012032","","","0.71073","MoKα","","0.039","0.032","","0.039","","0.036","","","1.23","","","1.23","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009216","4.4957","0.0003","18.8581","0.0013","20.848","0.0015","90","","91.685","0.001","90","","1766.7","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-[2-(2,5-dimethoxyphenylethyl)]-N'-[2-(5-bromopyridyl)]-thiourea","","- C16 H18 Br N3 O2 S -","- C16 H18 Br N3 O2 S -","- C64 H72 Br4 N12 O8 S4 -","4","1","BK1492","Sudbeck, Elise A.; Jennissen, Jason D.; Venkatachalam, Taracad K.; Uckun, Fatih M.","Inhibitor of HIV-1 reverse transcriptase: <i>N</i>'-(5-bromo-2-pyridyl)-<i>N</i>-[2-(2,5-dimethoxyphenyl)ethyl]thiourea","Acta Crystallographica Section C","1999","55","12","2122","2124","10.1107/S0108270199012044","","","0.71073","MoKα","","0.0915","0.0369","","","","0.0972","","","","","","0.869","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009217","16.161","0.006","9.262","0.002","7.133","0.003","90","","90","","90","","1067.7","0.6","297","2","297","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","copper(I) cyanide/morpholine 3/1","","- C7 H9 Cu3 N4 S -","- C7 H9 Cu3 N4 S -","- C28 H36 Cu12 N16 S4 -","4","0.5","BK1494","Britton, Doyle; Stocker, Fred B.; Staeva, Teodora P.","Copper(I) cyanide‒thiomorpholine (3/1)","Acta Crystallographica Section C","1999","55","12","2014","2016","10.1107/S0108270199011622","","","0.71073","MoKα","","0.0849","0.051","","0.125","","0.111","","","0.985","","","1.08","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009218","12.412","0.002","9.68","0.002","11.191","0.002","90","","90","","90","","1344.6","0.4","143","2","143","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3,4-Di(tert-butyl)-3-hexene-2,5-dione","","- C14 H24 O2 -","- C14 H24 O2 -","- C56 H96 O8 -","4","0.5","BM1331","Klein, Oliver; Dix, Ina; Hopf, Henning; Jones, Peter G.","(<i>E</i>)-3,4-Di-<i>tert</i>-butylhex-3-ene-2,5-dione","Acta Crystallographica Section C","1999","55","12","2078","2080","10.1107/S0108270199012731","","","0.71073","MoKα","","0.063","0.048","","","","0.134","","","","","","1.058","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009219","47.6","0.006","6.6063","0.0008","22.135","0.002","90","","116.371","0.009","90","","6236.2","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-[Dimethyltetrakis(urea-O)tin(IV)]bis[di(methanesulfonyl)amidate] acetonitrile monosolvate","","- C12 H37 N11 O12 S4 Sn -","- C12 H37 N11 O12 S4 Sn -","- C96 H296 N88 O96 S32 Sn8 -","8","1","BM1351","Wirth, Andreas; Moers, Oliver; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXIV. <i>trans</i>-Dimethyltetrakis(urea-<i>O</i>)tin(IV) bis[di(methanesulfonyl)amidate] acetonitrile monosolvate","Acta Crystallographica Section C","1999","55","12","2033","2035","10.1107/S0108270199011634","","","0.71073","MoKα","","0.0476","0.0298","","","","0.0615","","","","","","0.907","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009220","9.311","0.005","12.877","0.007","19.806","0.01","90","","94.74","0.04","90","","2367","2","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Spiro(4,8-dibenzyl-1,3-dioxaazulenium-2,1'-2',4',6'-trinitrohexadienide)","","- C27 H19 N3 O8 -","- C27 H19 N3 O8 -","- C108 H76 N12 O32 -","4","1","BM1362","Borbulevych, Oleg Ya.; Antipin, Michail Yu.; Olekhnovich, Lev P.","4,8-Dibenzyl-2',4',6'-trinitrospiro[1,3-dioxaazulenium-2,1'-cyclohexadienide]","Acta Crystallographica Section C","1999","55","12","2177","2179","10.1107/S010827019901241X","","","0.71073","MoKα","","0.1537","0.0719","","0.1659","","0.1211","","","0.998","","","1.225","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009221","6.345","0.0015","10.242","0.003","21.554","0.006","90","","93.05","0.02","90","","1398.7","0.7","178","2","178","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N-bis(methanesulfonyl)-1-adamantylamine","","- C12 H21 N O4 S2 -","- C12 H21 N O4 S2 -","- C48 H84 N4 O16 S8 -","4","1","BM1364","Pröhl, Hans-Heinrich; Näveke, Martina; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXXI. Three <i>N</i>,<i>N</i>-disulfonylated 1-adamantylamines","Acta Crystallographica Section C","1999","55","12","2080","2084","10.1107/S0108270199011646","","","0.71073","MoKα","","0.0364","0.0317","","","","0.0872","","","","","","1.041","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009222","13.08","0.003","11.978","0.003","27.915","0.004","90","","90","","90","","4373.5","1.6","178","2","178","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N,N-bis(p-toluenesulfonyl)-1-adamantylamine","","- C24 H29 N O4 S2 -","- C24 H29 N O4 S2 -","- C192 H232 N8 O32 S16 -","8","1","BM1364","Pröhl, Hans-Heinrich; Näveke, Martina; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXXI. Three <i>N</i>,<i>N</i>-disulfonylated 1-adamantylamines","Acta Crystallographica Section C","1999","55","12","2080","2084","10.1107/S0108270199011646","","","0.71073","MoKα","","0.0963","0.044","","","","0.1289","","","","","","0.944","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009223","7.2362","0.0018","7.2831","0.0015","29.526","0.006","90","","90","","90","","1556.1","0.6","178","2","178","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(1-adamantyl)-1,1,3,3-tetraoxo-1,3,2-benzodithiazole","","- C16 H19 N O4 S2 -","- C16 H19 N O4 S2 -","- C64 H76 N4 O16 S8 -","4","1","BM1364","Pröhl, Hans-Heinrich; Näveke, Martina; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXXI. Three <i>N</i>,<i>N</i>-disulfonylated 1-adamantylamines","Acta Crystallographica Section C","1999","55","12","2080","2084","10.1107/S0108270199011646","","","0.71073","MoKα","","0.0378","0.0326","","","","0.0869","","","","","","1.032","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009224","8.057","0.0014","11.564","0.002","14.445","0.002","90","","95.225","0.004","90","","1340.3","0.4","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-[2-(2-formylphenyl)ethyl]-2-fluoro-4-nitroaniline","","- C15 H13 F N2 O3 -","- C15 H13 F N2 O3 -","- C60 H52 F4 N8 O12 -","4","1","BM1367","Clegg, William; Elsegood, Mark R. J.; Stanforth, Stephen P.; Hedley, K. Andrew; Stanley, Alan L.; Raper, Eric S.; Creighton, James R.","2-(2-Fluoro-4-nitroanilinoethyl)benzaldehyde and <i>N</i>-(2-fluoro-4-nitrophenyl)-1-methoxy-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section C","1999","55","12","2163","2167","10.1107/S010827019901104X","","","0.71073","MoKα","","0.046","0.037","","","","0.102","","","","","","1.041","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009225","13.534","0.003","7.0535","0.0014","29.526","0.008","90","","90","","90","","2818.6","1.1","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-fluoro-4-nitro)-1-methoxy-1,2,3,4-tetrahydroisoquinoline","","- C16 H15 F N2 O3 -","- C16 H15 F N2 O3 -","- C128 H120 F8 N16 O24 -","8","1","BM1367","Clegg, William; Elsegood, Mark R. J.; Stanforth, Stephen P.; Hedley, K. Andrew; Stanley, Alan L.; Raper, Eric S.; Creighton, James R.","2-(2-Fluoro-4-nitroanilinoethyl)benzaldehyde and <i>N</i>-(2-fluoro-4-nitrophenyl)-1-methoxy-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section C","1999","55","12","2163","2167","10.1107/S010827019901104X","","","0.71073","MoKα","","0.098","0.057","","","","0.211","","","","","","1.115","","","","has coordinates,has disorder","301791","2025-08-18","23:15:34",""
"2009226","8.3093","0.0004","8.3093","0.0004","8.3093","0.0004","90","","90","","90","","573.71","0.05","302","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Ni O4 -","- Cr2 Ni O4 -","- Cr16 Ni8 O32 -","8","0.0416667","BR1244","Ueno, Go; Sato, Shoichi; Kino, Yoshihiro","The low-temperature tetragonal phase of NiCr~2~O~4~","Acta Crystallographica Section C","1999","55","12","1963","1966","10.1107/S0108270199011713","","","0.7107","MoKα","","","0.022","","","","0.058","","","","","","1.894","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009227","5.8102","0.0008","5.8102","0.0008","8.4806","0.0009","90","","90","","90","","286.29","0.06","200.2","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Cr2 Ni O4 -","- Cr2 Ni O4 -","- Cr8 Ni4 O16 -","4","0.125","BR1244","Ueno, Go; Sato, Shoichi; Kino, Yoshihiro","The low-temperature tetragonal phase of NiCr~2~O~4~","Acta Crystallographica Section C","1999","55","12","1963","1966","10.1107/S0108270199011713","","","0.7107","MoKα","","","0.0226","","","","0.0412","","","","","","1.862","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009228","5.772","0.001","5.772","0.001","26.538","0.001","90","","90","","120","","765.69","0.19","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","calcium oxide‒dialuminium trioxide‒calcium diiodate hydrate (3/1/1/10)","","- Al Ca2 H10 I O8 -","- Al Ca2 H10.002 I6 O8 -","- Al3 Ca6 H30.006 I18 O24 -","3","0.166667","BR1245","Jean-Philippe Rapin; Alain Walcarius; Grégory Lefevre; Michel François","A double-layered hydroxide, 3CaO.Al~2~O~3~.CaI~2~.10H~2~O","Acta Crystallographica Section C","1999","55","12","1957","1959","10.1107/S0108270199008665","","","1.54058","CuKα","","0.04","0.039","","","","0.112","","","","","","1.1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009229","9.288","0.0006","7.418","0.0007","9.383","0.0004","90","","90","","90","","646.47","0.08","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","Trierbium digallide trigermanide","Trierbium digallide trigermanide","","- Er3 Ga2.21 Ge2.79 -","- Er3 Ga2.213 Ge2.787 -","- Er12 Ga8.852 Ge11.148 -","4","0.25","BR1251","Richard Welter; Gerard Venturini","Trierbium digallide trigermanide","Acta Crystallographica Section C","1999","55","12","1969","1970","10.1107/S0108270199010501","","","0.5609","AgKα","","0.026","0.02","","","","0.054","","","","","","0.704","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009230","6.722","0.002","11.088","0.002","13.475","0.004","90","","90","","90","","1004.3","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As3 Ba3 O Ta -","- As3 Ba3 O Ta -","- As12 Ba12 O4 Ta4 -","4","0.5","BR1254","Derrien, Gaëlle; Monconduit, Laure; Tillard, Monique; Belin, Claude","Ba~3~TaAs~3~O displaying the distorted tetrahedral TaAs~3~O^6-^ anion","Acta Crystallographica Section C","1999","55","12","1976","1978","10.1107/S0108270199010057","","","0.71069","MoKα","","0.118","0.049","","","","0.13","","","","","","0.952","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009231","5.6969","0.0006","5.6969","0.0006","23.523","0.003","90","","90","","120","","661.15","0.13","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","sodium calcium tantalate","disodiumtricalciumditantalumnonaoxide","","- Ca3 Na2 O9 Ta2 -","- Ca3 Na2 O9 Ta2 -","- Ca9 Na6 O27 Ta6 -","3","0.166667","BR1255","Yamane, Hisanori; Takahashi, Hiroki; Kajiwara, Takashi; Shimada, Masahiko","Na~2~Ca~3~Ta~2~O~9~ with a simple stacking of oxygen triangular nets","Acta Crystallographica Section C","1999","55","12","1978","1980","10.1107/S0108270199010513","","","0.71073","MoKα","","0.022","0.021","","","","0.057","","","","","","1.187","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009232","8.0432","0.0003","8.0805","0.0003","8.8836","0.0003","65.119","0.001","67.516","0.001","68.326","0.001","468.77","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- H2 O10 Se3 Zn3 -","- O10 Se3 Zn3 -","- O20 Se6 Zn6 -","2","1","BR1257","Harrison, William T. A.","An extreme case of ZnO~6~ octahedral distortion in trizinc tris(selenite) hydrate, Zn~3~(SeO~3~)~3~","Acta Crystallographica Section C","1999","55","12","1980","1983","10.1107/S0108270199011099","","","0.71073","MoKα","","0.0434","0.0299","","","","0.0593","","","","","","0.978","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009233","7.237","0.001","7.237","0.001","4.208","0.001","90","","90","","90","","220.39","0.07","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","Potassium chloro-bromopalladate","Potassium chloro-bromopalladate(II)A","","- Br2.24 Cl1.76 K2 Pd -","- Br2.24 Cl1.76 K2 Pd -","- Br2.24 Cl1.76 K2 Pd -","1","0.0625","BR1258","Omrani, Hedi; Welter, Richard; Vangelisti, Rene","The solid solution of composition K~2~PdBr~2.24~Cl~1.76~","Acta Crystallographica Section C","1999","55","12","1970","1972","10.1107/S0108270199011725","","","0.56087","AgKα","","0.036","0.03","","","","0.076","","","","","","1.189","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009234","14.593","0.0003","10.801","0.0002","7.309","0.0002","90","","108.35","0.02","90","","1093.46","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dioxoniobium disodium arsenate","","- As Na2 Nb O6 -","- As Na2 Nb O6 -","- As8 Na16 Nb8 O48 -","8","1","BR1262","Hizaoui, Khaled; Jouini, Noureddine; Driss, Ahmed; Jouini, Tahar","Na~2~NbO~2~AsO~4~, a new niobium monoarsenate","Acta Crystallographica Section C","1999","55","12","1972","1974","10.1107/S0108270199012421","","","0.71069","MoKα","","0.023","0.021","","0.059","","0.057","","","1.177","","","1.192","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009235","11.4944","0.0017","14.1547","0.0018","16.292","0.002","108.284","0.009","92.329","0.013","110.712","0.011","2319.7","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H41 B N9 O4 Tb -","- C54 H41 B N9 O4 Tb -","- C108 H82 B2 N18 O8 Tb2 -","2","1","CF1328","Ward, Michael D.; McCleverty, Jon A.; Mann, Karen L. V.; Jeffery, John C.; Motson, Graham R.; Hurst, Joanne","Ternary lanthanide complexes of hydrotris[3-(2-pyridyl)pyrazol-1-yl]borate (Tp^py^) and anionic <i>O</i>,<i>O</i>-bidentate chelates: [Tb(Tp^py^)(dbm)~2~] and [Eu(Tp^py^)(trop)(NO~3~)] (Hdbm is dibenzoylmethane and Htrop is tropolone)","Acta Crystallographica Section C","1999","55","12","2055","2058","10.1107/S0108270199011051","","","0.71073","MoKα","","0.0876","0.0477","","","","0.0826","","","","","","0.97","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009236","10.2193","0.0019","10.9574","0.0012","15.994","0.003","85.895","0.009","72.163","0.01","78.536","0.008","1670.7","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H26 B Cl2 Eu N10 O5 -","- C32 H26 B Cl2 Eu N10 O5 -","- C64 H52 B2 Cl4 Eu2 N20 O10 -","2","1","CF1328","Ward, Michael D.; McCleverty, Jon A.; Mann, Karen L. V.; Jeffery, John C.; Motson, Graham R.; Hurst, Joanne","Ternary lanthanide complexes of hydrotris[3-(2-pyridyl)pyrazol-1-yl]borate (Tp^py^) and anionic <i>O</i>,<i>O</i>-bidentate chelates: [Tb(Tp^py^)(dbm)~2~] and [Eu(Tp^py^)(trop)(NO~3~)] (Hdbm is dibenzoylmethane and Htrop is tropolone)","Acta Crystallographica Section C","1999","55","12","2055","2058","10.1107/S0108270199011051","","","0.71073","MoKα","","0.0388","0.0279","","","","0.0581","","","","","","0.976","","","","has coordinates,has disorder","301791","2025-08-18","23:15:34",""
"2009237","12.8648","0.0007","17.1212","0.001","18.7567","0.0011","101.627","0.001","91.701","0.001","111.515","0.001","3740.2","0.4","193","","193","","","","","","","","","7","P -1","-P 1","2","","[trans-dioxo-bis(en)osmium(VI)] [trans-dioxo-bis(en)osmium(VI) -disulfatoferrate(II)","","- C16 H100 Fe4 N16 O58 Os4 S8 -","- C16 H64 Fe4 N16 O58 Os4 S8 -","- C32 H128 Fe8 N32 O116 Os8 S16 -","2","1","DA1073","Murmann, R. Kent; Barnes, Charles L.","[<i>trans</i>-Bis(en)dioxoosmium(VI)] <i>trans</i>-bis(en)dioxoosmium(VI)[aqua-η^1^-sulfato-η^2^-sulfatoiron(II)][diaquabis(η^1^-sulfato)iron(II)] hexahydrate","Acta Crystallographica Section C","1999","55","12","2004","2007","10.1107/S0108270199010070","","","0.7093","MoKα","","0.046","0.048","","0.056","","0.059","","","","","","1.19","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009238","4.993","0.001","8.418","0.002","7.858","0.002","90","","96.41","0.03","90","","328.22","0.13","294","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","ammonium trivanadate(V)","","- H4 N O8 V3 -","- H4 N O8 V3 -","- H8 N2 O16 V6 -","2","0.5","DA1075","Bi-Zhou Lin; Shi-Xiong Liu","Ammonium trivanadate(V), NH~4~V~3~O~8~","Acta Crystallographica Section C","1999","55","12","1961","1963","10.1107/S0108270199007702","","","0.71069","MoKα","","0.043","0.036","","0.115","","0.102","","","1.151","","","1.173","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009239","21.85","0.002","11.7687","0.0007","13.3256","0.0008","90","","100.544","0.002","90","","3368.8","0.4","298.2","","298.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Cd N10 O10 -","- C32 H28 Cd N10 O10 -","- C128 H112 Cd4 N40 O40 -","4","0.5","DA1076","Huang, Songping D.; Lewandowski, Brad J.; Liu, Chibiao (Charles); Shan, Yongkui","[Cd(4,4'-bipy)~2~(NO~3~)~2~](2-nitroaniline)~2~, a novel two-dimensional lattice inclusion compound","Acta Crystallographica Section C","1999","55","12","2016","2018","10.1107/S0108270199011130","","","0.7107","MoKα","","0.055","0.051","","0.089","","0.083","","","1.06","","","1.09","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009240","16.482","0.005","14.258","0.005","9.838","0.004","90","","90","","90","","2311.9","1.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1-tert-butoxycarbonyl-7,9-dibenzyl-2-oxo-1,7,9-triazaspiro[4,5]dec-3-ene","","- C26 H31 N3 O3 -","- C26 H31 N3 O3 -","- C104 H124 N12 O12 -","4","0.5","DA1077","Dong, Yongkwan; Yun, Hoseop; Suh, Jang-Min; Ahn, Young-Gil; Ha, Hyun-Joon","Mirror symmetry in 7,9-dibenzyl-1-<i>tert</i>-butoxycarbonyl-1,7,9-triazaspiro[4.5]dec-3-en-2-one","Acta Crystallographica Section C","1999","55","12","2088","2090","10.1107/S0108270199011373","","","0.71073","MoKα","","0.1169","0.0575","","","","0.1163","","","","","","1.009","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009241","11.093","0.002","21.665","0.004","16.823","0.005","90","","104.404","0.018","90","","3916","1.6","294","2","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Trichloro(phenylimido)(1,1'-bis(diphenylphosphino)ferrocene)rhenium(V)","","- C41 H35 Cl5 Fe N P2 Re -","- C41 H35 Cl5 Fe N P2 Re -","- C164 H140 Cl20 Fe4 N4 P8 Re4 -","4","1","DA1088","Lee, Soon W.; Choi, Nam-Sun","[1,1'-Bis(diphenylphosphino)ferrocene]trichloro(phenylimido)rhenium(V) dichloromethane solvate","Acta Crystallographica Section C","1999","55","12","2018","2020","10.1107/S0108270199011385","","","0.71073","MoKα","","","0.0375","","","","0.0771","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009242","5.2955","0.0004","10.0638","0.0007","11.2503","0.0008","103.951","0.002","102.516","0.001","105.121","0.002","536.13","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","α-cyano-β-hydroxy-β-methyl-N-(3-chlorophenyl)propenamide","","- C11 H9 Cl N2 O2 -","- C11 H9 Cl N2 O2 -","- C22 H18 Cl2 N4 O4 -","2","1","DA1089","Ghosh, Sutapa; Zheng, Yaguo; Uckun, Fatih M.","Five analogs of the active metabolite of leflunomide","Acta Crystallographica Section C","1999","55","12","2117","2122","10.1107/S0108270199011142","","","0.71073","MoKα","","0.0683","0.0508","","","","0.1357","","","","","","1.024","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009243","4.7724","0.0001","24.1536","0.0001","9.1565","0.0002","90","","95.937","0.001","90","","1049.81","0.03","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","α-cyano-β-hydroxy-β-methyl-N-(5-flurophenyl)propenamide","","- C11 H9 F N2 O2 -","- C11 H9 F N2 O2 -","- C44 H36 F4 N8 O8 -","4","1","DA1089","Ghosh, Sutapa; Zheng, Yaguo; Uckun, Fatih M.","Five analogs of the active metabolite of leflunomide","Acta Crystallographica Section C","1999","55","12","2117","2122","10.1107/S0108270199011142","","","0.71073","MoKα","","0.0656","0.0528","","","","0.1698","","","","","","1.07","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009244","4.9906","0.0002","9.3735","0.0003","11.8869","0.0001","77.394","0.002","86.404","0.002","88.065","0.002","541.47","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","α-cyano-β-hydroxy-N-(4-bromophenyl)but-2-enamide","","- C11 H9 Br N2 O2 -","- C11 H9 Br N2 O2 -","- C22 H18 Br2 N4 O4 -","2","1","DA1089","Ghosh, Sutapa; Zheng, Yaguo; Uckun, Fatih M.","Five analogs of the active metabolite of leflunomide","Acta Crystallographica Section C","1999","55","12","2117","2122","10.1107/S0108270199011142","","","0.71073","MoKα","","0.0789","0.0635","","","","0.1655","","","","","","1.043","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009245","8.9641","0.0008","14.1215","0.0012","8.327","0.0007","90","","101.023","0.002","90","","1034.64","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","α-cyano-β-hydroxy-N-(2-flurophenyl)but-2-enamide","","- C11 H9 F N2 O2 -","- C11 H9 F N2 O2 -","- C44 H36 F4 N8 O8 -","4","1","DA1089","Ghosh, Sutapa; Zheng, Yaguo; Uckun, Fatih M.","Five analogs of the active metabolite of leflunomide","Acta Crystallographica Section C","1999","55","12","2117","2122","10.1107/S0108270199011142","","","0.71073","MoKα","","0.0792","0.0555","","","","0.1468","","","","","","1.202","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009246","5.2782","0.0002","10.2335","0.0004","11.5754","0.0004","69.792","0.001","78.592","0.001","75.837","0.001","564.49","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","α-cyano-β-hydroxy-β-methyl-N-(3-bromophenyl)propenamide","","- C11 H9 Br N2 O2 -","- C11 H9 Br N2 O2 -","- C22 H18 Br2 N4 O4 -","2","1","DA1089","Ghosh, Sutapa; Zheng, Yaguo; Uckun, Fatih M.","Five analogs of the active metabolite of leflunomide","Acta Crystallographica Section C","1999","55","12","2117","2122","10.1107/S0108270199011142","","","0.71073","MoKα","","0.0683","0.056","","","","0.1545","","","","","","0.988","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009247","8.425","0.003","9.427","0.002","8.087","0.002","103.64","0.02","109","0.02","108.39","0.02","533.7","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 N4 S -","- C8 H14 N4 S -","- C16 H28 N8 S2 -","2","1","DA1094","McCarrick, Robert M.; Squattrito, Philip J.; Singh, Rajkumar Noren; Handa, Ram N.; Dubey, Surendra N.","Two Schiff base derivatives of 4-amino-3-propyl-1,2,4-triazole-5-thione","Acta Crystallographica Section C","1999","55","12","2111","2114","10.1107/S0108270199011397","","","0.7107","MoKα","","","0.052","","","","0.037","","","","","","2.27","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009248","9.539","0.002","14.177","0.002","5.275","0.002","99.64","0.02","95.69","0.03","90.03","0.01","699.7","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 N4 O S -","- C13 H16 N4 O S -","- C26 H32 N8 O2 S2 -","2","1","DA1094","McCarrick, Robert M.; Squattrito, Philip J.; Singh, Rajkumar Noren; Handa, Ram N.; Dubey, Surendra N.","Two Schiff base derivatives of 4-amino-3-propyl-1,2,4-triazole-5-thione","Acta Crystallographica Section C","1999","55","12","2111","2114","10.1107/S0108270199011397","","","0.7107","MoKα","","","0.063","","","","0.088","","","","","","2.23","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009249","13.513","0.002","6.288","0.0009","32.903","0.003","90","","98.22","0.03","90","","2767","0.7","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","D-Friedoolean-14-en-3β-ol acetate","","- C32 H52 O2 -","- C32 H52 O2 -","- C128 H208 O8 -","4","1","DA1098","Billodeaux, Damon R.; Benavides, Gloria A.; Fischer, Nikolaus H.; Fronczek, Frank R.","Taraxerol acetate at 100K","Acta Crystallographica Section C","1999","55","12","2129","2131","10.1107/S0108270199011403","","","0.71073","MoKα","","0.141","0.063","","","","0.249","","","","","","0.813","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009250","8.533","0.008","10.643","0.008","12.287","0.012","110.23","0.07","92.65","0.07","103.34","0.07","1009","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Trichloro((p-aminophenyl)imido)(N-pchloro-pyridine-2-aldimine)rhenium(V).","","- C18 H15 Cl4 N4 Re -","- C18 H15 Cl4 N4 Re -","- C36 H30 Cl8 N8 Re2 -","2","1","DE1115","Banerjee, Sangeeta; Bhattacharyya, Sibaprasad; Chakraborty, Indranil; Dirghangi, Bimal Kumar","A rhenium(V)‒arylimide species incorporating pyridine-2-aldimine chelation","Acta Crystallographica Section C","1999","55","12","2000","2002","10.1107/S0108270199010732","","","0.71073","MoKα","","0.03","0.026","","0.067","","0.061","","","1.077","","","1.086","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009251","6.952","0.002","8.909","0.003","6.531","0.002","94.76","0.03","111.03","0.02","73.74","0.02","362.4","0.2","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","trans-dinitro bis(N-ethyl ethane-1,2-diamine)nickel(II)","","- C8 H24 N6 Ni O4 -","- C8 H24 N6 Ni O4 -","- C8 H24 N6 Ni O4 -","1","0.5","DE1116","Inamur Rahaman Laskar; Golam Mostafa; Debasis Das; Ken-ichi Okamoto; N. Ray Chaudhuri","<i>trans</i>-Bis(<i>N</i>-ethylethane-1,2-diamine)dinitronickel(II)","Acta Crystallographica Section C","1999","55","12","1994","1995","10.1107/S0108270199011063","","","0.7107","MoKα","","","0.029","","","","0.0393","","","","","","1.122","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009252","7.7234","0.0009","21.356","0.003","16.252","0.005","90","","92.882","0.015","90","","2677.2","1","289","2","289","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Methylphenyl)-3-(4-pyridyl)-1H-1,2,4-triazole-5(4H)-thione","","- C14 H12 N4 S -","- C14 H12 N4 S -","- C112 H96 N32 S8 -","8","2","FG1553","Lakshmanan Govindasamy; Devadasan Velmurugan; Annamalai Senthilvelan; Il-Hawn Suh","4-(4-Methylphenyl)-3-(4-pyridyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section C","1999","55","12","2098","2100","10.1107/S0108270199010094","","","0.71069","MoKα","","0.078","0.046","","","","0.118","","","","","","1.018","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009253","12.1605","0.0006","12.414","0.0006","25.061","0.001","83.771","0.001","82.672","0.001","62.875","0.001","3334.2","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","bis[(μ~3~-oxo)-μ~2~-(2-formylbenzoato-O,O')-(2-formylbenzoato-O)-bis(dibutyl- tin(IV)]","","- C64 H92 O14 Sn4 -","- C64 H92 O14 Sn4 -","- C128 H184 O28 Sn8 -","2","1","FG1568","Khoo, Lian Ee; Hazell, Alan","3-Hydroxyphthalide and its adduct with dibutyltin oxide","Acta Crystallographica Section C","1999","55","12","2070","2073","10.1107/S0108270199009282","","","0.71073","MoKα","","","0.037","","","","0.037","","","","","","1.243","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009254","3.9463","0.0006","11.423","0.002","7.327","0.0011","90","","97.02","0.003","90","","327.81","0.09","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","3-hydroxyphthalide","","- C8 H6 O3 -","- C8 H6 O3 -","- C16 H12 O6 -","2","1","FG1568","Khoo, Lian Ee; Hazell, Alan","3-Hydroxyphthalide and its adduct with dibutyltin oxide","Acta Crystallographica Section C","1999","55","12","2070","2073","10.1107/S0108270199009282","","","0.71073","MoKα","","","0.028","","","","0.037","","","","","","1.7","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009255","9.1149","0.0006","7.5153","0.0004","18.1463","0.0008","90","","92.03","0.01","90","","1242.26","0.12","293","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-[(Dimethylamino)methyleneamino]-3-methyl-1-phenylpyrazole","","- C13 H16 N4 -","- C13 H16 N4 -","- C52 H64 N16 -","4","1","FR1200","Moreno-Fuquen, Rodolfo; Quiroga, Jairo; Insuasty, Braulio","5-[(Dimethylamino)methyleneamino]-3-methyl-1-phenylpyrazole","Acta Crystallographica Section C","1999","55","12","2096","2098","10.1107/S0108270199010793","","","0.71073","MoKα","","0.069","0.047","","0.157","0.129","","","","1.097","1.043","1.043","","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009256","6.4731","0.0001","11.4104","0.0001","20.4092","0.0003","90","","90","","90","","1507.44","0.03","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-trimethylsilyl-3,6-dimethyl-3,6-diaza-1,4,5-tricarbaheptaborane(10)","","- C10 H30 B2 N2 Si -","- C10 H30 B2 N2 Si -","- C40 H120 B8 N8 Si4 -","4","1","FR1209","Zheng, Chong; Hosmane, Narayan S.","3,3,6,6-Tetramethyl-1-trimethylsilyl-3,6-diaza-1,4,5-tricarbaheptaborane(10)","Acta Crystallographica Section C","1999","55","12","2107","2109","10.1107/S0108270199011294","","","0.71073","MoKα","","0.046","0.043","","","","0.115","","","","","","1.243","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009257","10.364","0.001","12.657","0.001","26.59","0.002","90","","98.58","0.01","90","","3449","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(μ‒dimethylacetylenedicarboxylate)manganese cobalt heptacarbonyl","","- C13 H6 Co Mn O11 -","- C13 H6 Co Mn O11 -","- C104 H48 Co8 Mn8 O88 -","8","1","FR1210","Beck, Karsten; Krause Bauer, Jeanette A.; Alexander, John J.","Carbonyl-μ-dimethylacetylene dicarboxylate and carbonyl-μ-methyltetraolate manganesecobalt complexes","Acta Crystallographica Section C","1999","55","12","2020","2023","10.1107/S0108270199009828","","","0.71073","MoKα","","0.063","0.038","","","","0.088","","","","","","1.094","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009258","8.026","0.0001","8.1299","0.0001","12.6612","0.0001","87.343","0.001","71.85","0.003","79.125","0.001","770.88","0.02","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","(μ‒methyltetrolate)manganese cobalt heptacarbonyl","","- C12 H6 Co Mn O9 -","- C12 H6 Co Mn O9 -","- C24 H12 Co2 Mn2 O18 -","2","1","FR1210","Beck, Karsten; Krause Bauer, Jeanette A.; Alexander, John J.","Carbonyl-μ-dimethylacetylene dicarboxylate and carbonyl-μ-methyltetraolate manganesecobalt complexes","Acta Crystallographica Section C","1999","55","12","2020","2023","10.1107/S0108270199009828","","","0.71073","MoKα","","0.042","0.029","","","","0.073","","","","","","1.052","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009259","9.3376","0.0004","10.1794","0.0004","10.9289","0.0005","95.498","0.001","103.262","0.001","90.284","0.001","1006.06","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-benzyl-N-(2-iodo-4-methylphenyl)cinnamamide","","- C23 H20 I N O -","- C23 H20 I N O -","- C46 H40 I2 N2 O2 -","2","1","FR1216","Shanmuga Sundara Raj, S.; Renganayaki, S.; Subramanian, E.; Fun, Hoong-Kun","<i>N</i>-Benzyl-<i>N</i>-(2-iodo-4-methylphenyl)cinnamamide and <i>N</i>-benzyl-<i>N</i>-(<i>p</i>-tolyl)cinnamamide","Acta Crystallographica Section C","1999","55","12","2182","2184","10.1107/S0108270199011749","","","0.71073","MoKα","","0.06","0.043","","","","0.119","","","","","","1.037","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009260","15.1665","0.0016","6.2451","0.0006","19.946","0.002","90","","99.65","0.002","90","","1862.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-benzyl-N-(p-tolyl)cinnamamide","","- C23 H21 N O -","- C23 H21 N O -","- C92 H84 N4 O4 -","4","1","FR1216","Shanmuga Sundara Raj, S.; Renganayaki, S.; Subramanian, E.; Fun, Hoong-Kun","<i>N</i>-Benzyl-<i>N</i>-(2-iodo-4-methylphenyl)cinnamamide and <i>N</i>-benzyl-<i>N</i>-(<i>p</i>-tolyl)cinnamamide","Acta Crystallographica Section C","1999","55","12","2182","2184","10.1107/S0108270199011749","","","0.71073","MoKα","","0.146","0.068","","","","0.157","","","","","","1.036","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009261","13.035","0.001","11.6","0.001","8.668","0.001","90","","81.23","0.009","90","","1295.3","0.2","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-benzyloxy-3-methoxybenzaldehyde (vanillin benzyl ether)","","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","FR1220","Gerkin, Roger E.","Network of C—H···O interactions in 4-benzyloxy-3-methoxybenzaldehyde (vanillin benzyl ether)","Acta Crystallographica Section C","1999","55","12","2140","2142","10.1107/S0108270199009051","","","0.71073","MoKα","","","0.05","","","","0.068","","","","","","1.61","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009262","5.71","0.0008","7.8019","0.0015","7.9527","0.0007","75.319","0.012","79.168","0.009","77.967","0.016","331.75","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(ethylenediamine-N,N')bis(perchlorato-O)copper(II)","","- C4 H16 Cl2 Cu N4 O8 -","- C4 H16 Cl2 Cu N4 O8 -","- C4 H16 Cl2 Cu N4 O8 -","1","0.5","FR1222","Maxcy, Karen R.; Turnbull, Mark M.","A redetermination of bis(ethylenediamine-<i>N</i>,<i>N</i>')bis(perchlorato-<i>O</i>)copper(II)","Acta Crystallographica Section C","1999","55","12","1986","1988","10.1107/S010827019901152X","","","0.71073","MoKα","","0.042","0.041","","","","0.146","","","","","","1.179","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009263","23.433","0.005","7.018","0.004","9.554","0.004","90","","90","","90","","1571.2","1.2","293","2","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H16 Br2 -","- C18 H16 Br2 -","- C72 H64 Br8 -","4","0.5","FR1224","Luck, Rudy L.; Mendenhall, G. David","2-<i>tert</i>-Butyl-9,10-dibromoanthracene","Acta Crystallographica Section C","1999","55","12","2090","2091","10.1107/S0108270199011968","","","0.71069","MoKα","","","0.04","","","","0.112","","","","","","1.028","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009264","7.811","0.001","11.1324","0.0008","11.831","0.001","87.508","0.007","71.538","0.008","87.198","0.009","974.23","0.17","296","","296","","","","","","","","","5","P -1","-P 1","2","di[quinolinium-4-carboxylic acid] sulfate monohydrate","bis(4-carboxyquinolinium) sulfate monohydrate","","- C20 H18 N2 O9 S -","- C20 H18 N2 O9 S -","- C40 H36 N4 O18 S2 -","2","1","FR1225","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding and C—H···O interactions in bis(4-carboxyquinolinium) sulfate monohydrate","Acta Crystallographica Section C","1999","55","12","2142","2145","10.1107/S0108270199010586","","","0.71073","MoKα","","","0.056","","","","0.098","","","","","","1.61","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009265","10.996","0.003","11.423","0.003","13.501","0.003","102.36","0.02","111.79","0.02","100.28","0.02","1474.7","0.7","115","2","115","2","","","","","","","","5","P -1","-P 1","2","naphthyl 18-crown-6 t-butyl ammonium perchlorate complex","tert-butylammonium perchlorate‒2,5,8,11,14,17-hexaoxatricyclo[16.8.0.0^20,25^]hexacosa- 1(26),18,20(25),21,23-pentaene‒ethyl acetate‒dichloromethane (4/4/1/1)","","- C25.25 H40.5 Cl1.5 N O10.5 -","- C25.25 H40.5 Cl1.5 N O10.5 -","- C50.5 H81 Cl3 N2 O21 -","2","1","FR1227","Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Weiss, Robert M.","The <i>tert</i>-butylammonium perchlorate complex of 2,3-naphtho-18-crown-6 at 115K","Acta Crystallographica Section C","1999","55","12","2091","2093","10.1107/S010827019901080X","","","0.7107","MoKα","","0.088","0.074","","0.249","","0.249","","","","","","1.06","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2009266","6.718","0.01","13.595","0.01","15.637","0.01","114.015","0.01","95.196","0.01","94.984","0.01","1287","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","bis-ethylenediaminedinitrocobalt(III) perchlor","","","- C4 H16 Cl Co N6 O8 -","- C4 H16 Cl Co N6 O8 -","- C16 H64 Cl4 Co4 N24 O32 -","4","2","FR1228","Maxcy, Karen R.; Turnbull, Mark M.","<i>trans</i>-Bis(ethylenediamine)dinitrocobalt(III) perchlorate","Acta Crystallographica Section C","1999","55","12","1984","1986","10.1107/S010827019901197X","","","0.71073","MoKα","","0.0847","0.063","","","","0.2043","","","","","","1.207","","","","has coordinates,has disorder,has Fobs","301791","2025-08-18","23:15:34",""
"2009267","6.9473","0.0006","7.4535","0.0006","25.0846","0.0017","90","","96.998","0.006","90","","1289.25","0.18","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-amino-1-methyl-5-nitroso-6-oxo-1,6-dihydropyrimidin-2-yl)glicinato hexaaaquo zinc(II)","","- C14 H32 N10 O16 Zn -","- C14 H32 N10 O16 Zn -","- C28 H64 N20 O32 Zn2 -","2","0.5","GD1042","Arranz-Mascarós, Paloma; Godino, M. Luz; López, Rafael; Cuesta, Rafael; Valenzuela-Calahorro, Cristóbal; Martín-Ramos, Daniel","Hexaaquazinc(II) bis[<i>N</i>-(4-amino-1-methyl-5-nitroso-6-oxo-1,6-dihydropyrimidin-2-yl)glycinate] dihydrate","Acta Crystallographica Section C","1999","55","12","2049","2051","10.1107/S0108270199009518","","","0.71073","MoKα","","0.058","0.034","","","","0.087","","","","","","0.985","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009268","11.611","0.002","12.14","0.007","13.584","0.004","110.13","0.04","97.62","0.02","94.56","0.04","1765.7","1.3","299","3","299","3","","","","","","","","5","P -1","-P 1","2","","Bis[μ-(hydrogen benzene-1,2-dicarboxylato)-O:O']- bis[bis(1,10-phenanthroline-N,N')cobalt(II)] bis(hydrogen benzene-1,2-dicarboxylate) dihydrate","","- C80 H56 Co2 N8 O18 -","- C80 H56 Co2 N8 O18 -","- C80 H56 Co2 N8 O18 -","1","0.5","GD1046","Poleti, Dejan; Karanović, Ljiljana; Bogdanović, Goran A.; Spasojević-de Biré, Anne","Bis[μ-(hydrogen benzene-1,2-dicarboxylato)-<i>O</i>:<i>O</i>']bis[bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')cobalt(II)] bis(hydrogen benzene-1,2-dicarboxylate) dihydrate","Acta Crystallographica Section C","1999","55","12","2061","2063","10.1107/S0108270199010720","","","0.7107","MoKα","","0.109","0.05","","","","0.126","","","","","","0.985","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009269","8.542","0.0005","11.8734","0.0007","15.0938","0.0005","90","","90","","90","","1530.85","0.14","291","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Mo O2 -","- C17 H16 Mo O2 -","- C68 H64 Mo4 O8 -","4","1","GD1047","Alexander Kuhl; Farrugia, Louis J.; Philip J. Kocieński","Absolute configuration of <i>exo</i>-<i>syn</i>-<i>syn</i>-dicarbonyl(η^5^-cyclopentadienyl)[(1,2,3-η)-(1<i>R</i>,2<i>S</i>,3<i>S</i>)-1-phenylbut-2-en-1-yl]molybdenum(II)","Acta Crystallographica Section C","1999","55","12","2041","2043","10.1107/S0108270199010197","","","0.71073","MoKα","","","0.026","","","","0.07","","","","","","1.056","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009270","5.021","0.0002","11.3959","0.0006","11.9972","0.0006","90","","97.323","0.005","90","","680.87","0.06","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4'-Bipyridinium diperchlorate","","- C10 H10 Cl2 N2 O8 -","- C10 H10 Cl2 N2 O8 -","- C20 H20 Cl4 N4 O16 -","2","0.5","GD1048","Ng, Seik Weng","4,4'-Bipyridinium diperchlorate","Acta Crystallographica Section C","1999","55","12","2105","2107","10.1107/S0108270199012196","","","0.71073","MoKα","","0.0638","0.0512","","","","0.1363","","","","","","1.055","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009271","9.8336","0.0001","16.711","0.0003","9.8352","0.0001","90","","104.223","0.001","90","","1566.67","0.04","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicyclohexylammonium trifluoroacetate","","- C14 H24 F3 N O2 -","- C14 H24 F3 N O2 -","- C56 H96 F12 N4 O8 -","4","1","GD1050","Ng, Seik Weng; Hoong-Kun Fun; S. Shanmuga Sundara Raj","Dicyclohexylammonium trifluoroacetate","Acta Crystallographica Section C","1999","55","12","2145","2147","10.1107/S0108270199010999","","","0.71073","MoKα","","0.0621","0.0473","","","","0.1516","","","","","","1.064","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009272","11.3483","0.0015","8.9413","0.001","14.705","0.003","90","","104.586","0.013","90","","1444","0.4","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2R/2S)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-hydroxyphenyl)propanoic acid","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","GD1055","Gallagher, John F.; Murphy, Carol","C—H···π~arene~, C<i>sp</i>^3^—H···O=C and O—H···O intermolecular interactions in (2<i>R</i>/2<i>S</i>)-3-(3-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2<i>H</i>-isoindol-2-yl)propanoic acid: a <i>meta</i>-tyrosine derivative","Acta Crystallographica Section C","1999","55","12","2167","2169","10.1107/S0108270199010884","","","0.7107","MolybdenumKα","","0.1071","0.0406","","","","0.0847","","","","","","0.941","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009273","8.3898","0.001","8.7094","0.0009","13.8304","0.0017","89.695","0.009","79.108","0.006","62.568","0.009","876.92","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Tetrakis(1-methylimidazole)octacyanotetracadmium(II)","","- C24 H24 Cd4 N16 -","- C24 H24 Cd4 N16 -","- C24 H24 Cd4 N16 -","1","0.5","GD1056","Yun, Sock-Sung; Kim, Young-Pill; Kim, Chong-Hyeak","A three-dimensional framework formed from cadmium(II) cyanide and 1-methylimidazole","Acta Crystallographica Section C","1999","55","12","2026","2028","10.1107/S0108270199011336","","","0.71073","MoKα","","0.028","0.027","","","","0.077","","","","","","1.174","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009274","13.788","0.002","7.3827","0.0012","14.0672","0.0017","90","","105.66","0.02","90","","1378.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pt-salen","N,N'-Ethylene-bis-salicylaldimine-Platin(II)","","- C16 H14 N2 O2 Pt -","- C16 H14 N2 O2 Pt -","- C64 H56 N8 O8 Pt4 -","4","1","GS1038","Sawodny, Wolfgang; Thewalt, Ulf; Potthoff, Edith; Ohl, Reinhard","[<i>N</i>,<i>N</i>'-Bis(salicylidene)ethylenediaminato-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>']platinum(II)","Acta Crystallographica Section C","1999","55","12","2060","2061","10.1107/S0108270199010690","","","0.71069","MoKα","","0.0324","0.0272","","","","0.0684","","","","","","1.051","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009275","10.734","0.004","10.734","0.004","35.245","0.006","90","","90","","120","","3517","1","293","","293","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C20 H29 Cl N2 O2 Pd -","- C20 H29 Cl N2 O2 Pd -","- C120 H174 Cl6 N12 O12 Pd6 -","6","1","","Bouquillon, Sandrine; du Moulinet d'Hardemare, Amaury; Averbuch-Pouchot, Marie-Thérèse; Hénin, Françoise; Muzart, Jacques; Durif, André","A coordination compound of (-)-ephedrine and palladium(II)","Acta Crystallographica Section C","1999","55","","2028","2030","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009276","12.949","0.004","13.031","0.008","13.97","0.01","66.08","0.07","85.89","0.05","69.08","0.03","2005","2","293","2","","","","","","","","","","5","P -1","-P 1","2","","Bis[(μ-O,O'-salicylato)(1,10-phenanthroline)copper(II)], acetylsalicylic acid solvate, diaqua solvate.","","- C43 H36 Cu2 N4 O12 -","- C43 H36 Cu2 N4 O12 -","- C86 H72 Cu4 N8 O24 -","2","1","GS1051","Lemoine, Pascale; Nguyen-Huy, Dung; Viossat, Bernard; Léger, Jean-Michel; Tomas, Alain","Bis[(μ-<i>O</i>,<i>O</i>'-salicylato)(2,2'-bipyridyl)copper(II)] acetylsalicylic acid dihydrate","Acta Crystallographica Section C","1999","55","12","2068","2070","10.1107/S0108270199012068","","","1.5418","CuKα","","0.0536","0.0342","","0.0944","0.0839","","","","1.037","1.079","1.079","","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009277","20.521","0.003","20.521","0.003","6.1384","0.0007","90","","90","","90","","2585","0.6","180","2","180","2","","","","","","","","4","I 4","I 4","79","","(2S,4S)-(hydroxymethyl)-2-dioxane-1,3]-ferrocene","","- C15 H18 Fe O3 -","- C15 H18 Fe O3 -","- C120 H144 Fe8 O24 -","8","1","GS1052","Jerome Chiffre; Eric Manoury; Jean-Claude Daran; Gilbert G. A. Balavoine","[(2<i>S</i>,4<i>S</i>)-4-Hydroxymethyl-1,3-dioxan-2-yl]ferrocene","Acta Crystallographica Section C","1999","55","12","2045","2047","10.1107/S010827019901207X","","","0.71073","MoKα","","0.0268","0.024","","","","0.0663","","","","","","1.133","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009278","14.157","0.0002","12.9188","0.0002","7.2671","0.0001","90","","104.776","0.001","90","","1285.14","0.03","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","[2-(2'-Pyridyl-N)quinoxaline-N~1~,N~4~]silver (I) nitrate","","- C13 H9 Ag N4 O3 -","- C13 H9 Ag N4 O3 -","- C52 H36 Ag4 N16 O12 -","4","1","HA1261","S.Shanmuga Sundara Raj; Hoong-Kun Fun; Xiao-Feng Chen; Xu-Hui Zhu; Xiao-Zeng You","[2-(2-Pyridyl-<i>N</i>)quinoxaline-<i>N</i>^1^]silver(I) nitrate","Acta Crystallographica Section C","1999","55","12","2035","2037","10.1107/S0108270199010938","","","0.71073","MoKα","","0.0365","0.0317","","","","0.0776","","","","","","0.968","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009279","9.009","0.002","6.756","0.002","21.276","0.009","90","","91.76","0.01","90","","1294.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Carbonato-O,O')bis(propane-1,3-diyldiamine-N,N')cobalt(III) chloride monohydrate","","- C7 H22 Cl Co N4 O4 -","- C7 H22 Cl Co N4 O4 -","- C28 H88 Cl4 Co4 N16 O16 -","4","1","HA1264","Zhu, Hai-Liang; Chen, Xiao-Ming","(Carbonato-<i>O</i>,<i>O</i>')bis(propane-1,3-diyldiamine-<i>N</i>,<i>N</i>')cobalt(III) chloride monohydrate","Acta Crystallographica Section C","1999","55","12","2010","2012","10.1107/S0108270199010525","","","0.71073","MoKα","","0.058","0.043","","","","0.115","","","","","","1.045","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009280","8.732","0.0001","21.716","0.0003","11.246","0.0002","90","","90","","90","","2132.51","0.05","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Disodium bis(μ-2-oxo-2-methylpropanoate dioxovanadium(V) heptahydrate","","- C8 H26 Na2 O17 V2 -","- C8 H12 Na2 O17 V2 -","- C32 H48 Na8 O68 V8 -","4","0.5","HA1265","Bourne, Susan A.; Cruywagen, J.J.; Kleinhorst, Angela","Disodium bis[μ-2-hydroxy-2-methylpropanoato(2 ‒)]-<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^;<i>O</i>^2^:<i>O</i>^1^,<i>O</i>^2^-bis[dioxovanadate(V)] heptahydrate","Acta Crystallographica Section C","1999","55","12","2002","2004","10.1107/S010827019901094X","","","0.7107","MoKα","","0.0453","0.0358","","","","0.1211","","","","","","0.958","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2009281","8.8253","0.0007","11.5326","0.0009","14.3441","0.0011","69.839","0.001","77.083","0.001","87.933","0.001","1334.45","0.18","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H45 Cl I N4 O0.5 -","- C21.5 H42 Cl I N4 -","- C43 H84 Cl2 I2 N8 -","2","1","HA1266","Hubin, Timothy J.; Alcock, Nathaniel W.; Busch, Daryle H.","A cyclam-like macrocycle side-bridged by a propyl chain","Acta Crystallographica Section C","1999","55","12","2188","2190","10.1107/S0108270199011038","","","0.71073","MoKα","","0.0765","0.049","","","","0.1339","","","","","","1.032","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009282","7.658","0.001","25.364","0.004","11.5","0.002","90","","95.17","0.01","90","","2224.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis-(2-ethyl-3-Hydroxy-pyranonato)diiodotin(IV) acetonitrile","","- C16 H17 I2 N O6 Sn -","- C16 H17 I2 N O6 Sn -","- C64 H68 I8 N4 O24 Sn4 -","4","1","HA1269","Lu, Zaisheng; Burgess, John; Fawcett, John; Russell, David R.","Bis(2-ethyl-3-hydroxy-4-pyranonato)diiodotin(IV) acetonitrile solvate","Acta Crystallographica Section C","1999","55","12","2051","2053","10.1107/S0108270199011683","","","0.71073","MoKα","","0.077","0.044","","","","0.098","","","","","","1.042","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009283","9.714","0.002","16.742","0.002","16.54","0.002","90","","90","","90","","2689.9","0.7","293","1","293","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyltelluro-N-phenylbenzamide","","- C14 H13 N O Te -","- C14 H13 N O Te -","- C112 H104 N8 O8 Te8 -","8","1","JA1000","Gable, Robert W.; Laws, Melissa J.; Schiesser, Carl H.","2-Methyltelluro-<i>N</i>-phenylbenzamide","Acta Crystallographica Section C","1999","55","12","2100","2102","10.1107/S010827019901118X","","","0.71073","MoKα","","0.036","0.027","","","","0.074","","","","","","1.031","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009284","12.4702","0.0002","15.8641","0.0003","16.9102","0.0003","90","","109.033","0.001","90","","3162.43","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H98 Mo2 N2 O8 S2 -","- C52 H98 Mo2 N2 O8 S2 -","- C104 H196 Mo4 N4 O16 S4 -","2","0.5","JA1002","Wei, Qiang; Zhuang, Botao; Chen, Jiutong","A long-chain alkyl-tethered Mo~2~S~2~ core, [Bu~4~N]~2~[Mo~2~(CO)~8~(<i>n</i>-C~6~H~13~ S)~2~]","Acta Crystallographica Section C","1999","55","12","2047","2049","10.1107/S0108270199011191","","","0.71073","MoKα","","0.0624","0.044","","0.1144","","0.1053","","","1.092","","","1.143","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009285","9.496","0.001","10.662","0.0008","12.966","0.002","71.481","0.008","75.78","0.01","66.16","0.01","1128.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","di-μ-croconato-bis{μ-[N,N'-bis(3-amino-2,2-dimethylpropyl)oxamidato(2-) -N,O':N',O]-dicopper(II)} tetrahydrate","","- C34 H56 Cu4 N8 O18 -","- C34 H56 Cu4 N8 O18 -","- C34 H56 Cu4 N8 O18 -","1","0.5","JZ1319","Abbati, Gian Luca; Cornia, Andrea; Fabretti, Antonio Costantino","A tetracopper(II) complex containing two μ-oxamidato-dicopper(II) units linked by croconate anions","Acta Crystallographica Section C","1999","55","12","2043","2045","10.1107/S0108270198014504","","","0.71073","MoKα","","0.052","0.032","","0.093","","0.087","","","","","","1.065","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009286","6.056","0.001","26.822","0.003","7.713","0.001","90","","106.61","0.01","90","","1200.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-benzoyl-2-methyl-1,3-dithiane","(2-methyl-1,3-dithian-2-yl)phenylmethanone","","- C12 H14 O S2 -","- C12 H14 O S2 -","- C48 H56 O4 S8 -","4","1","JZ1341","Stahl, Ingfried; Schomberg, Iris; Frenzen, Gerlinde","2-Benzoyl-2-methyl-1,3-dithiane","Acta Crystallographica Section C","1999","55","12","2179","2182","10.1107/S010827019901135X","","","0.71073","MoKα","","0.0698","0.0384","","","","0.079","","","","","","0.999","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009287","16.8265","0.0013","15.7626","0.0013","7.2886","0.0005","90","","90","","90","","1933.2","0.3","200","2","200","2","","","","","","","","5","P n n m","-P 2 2n","58","Cu NH3 Ni(CN)4, 23611","decaammine-5k^3^N,6k^2^N,7k^2^N,8k^3^N-octa-m-cyano-1:5k^2^C:N;1:6k^2^C:N; 2:6k^2^C:N;2:7k^2^C:N;3:6k^2^C:N;3:7k^2^C:N;4:7k^2^C:N;4:8k^2^C:N-octacyano- 1k^2^C,2k^2^C,3k^2^C,4k^2^C-tetracopper(II)tetranickel(II)","","- C16 H36 Cu4 N28 Ni4 -","- C16 H36 Cu4 N28 Ni4 -","- C32 H72 Cu8 N56 Ni8 -","2","0.25","JZ1356","Janiak, Christoph; Wu, He-Ping; Klüfers, Peter; Mayer, Peter","A molecular tetraamminecopper(II)-<i>trans</i>-diamminecopper(II) tetracyanonickelate(II) coordination compound","Acta Crystallographica Section C","1999","55","12","1966","1969","10.1107/S0108270199010859","","","0.71073","MoKα","","0.061","0.033","","","","0.073","","","","","","0.854","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009288","29.143","0.004","7.456","0.002","14.855","0.002","90","","116.33","0.02","90","","2893","1.1","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","3,28-Dimethoxy-3,11,28-trioxo-2,3-seco-18β-olean-12-en-2,9α-olide","","- C32 H46 O7 -","- C32 H46 O7 -","- C128 H184 O28 -","4","1","JZ1358","Gzella, Andrzej","Triterpenoide. XVII. 3,28-Dimethoxy-3,11,28-trioxo-2,3-seco-18β-olean-12-en-2,9α-olid","Acta Crystallographica Section C","1999","55","12","2151","2153","10.1107/S0108270199009178","","","1.54178","CuKα","","0.04","0.033","","","","0.095","","","","","","1.038","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009289","13.8993","0.0007","8.2374","0.0004","12.0633","0.0006","90","","105.843","0.001","90","","1328.71","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2–Tosylaminobenzaldehyde","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C56 H52 N4 O12 S4 -","4","1","JZ1360","Mahía, José; Maestro, Miguel; Vázquez, Miguel; Bermejo, Manuel R.; González, Ana M.; Maneiro, Marcelino","2-Tosylaminobenzaldehyde","Acta Crystallographica Section C","1999","55","12","2158","2160","10.1107/S0108270199011580","","","0.71073","MoKα","","0.0609","0.0417","","","","0.1134","","","","","","1.015","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009290","11.3083","0.0012","13.595","0.0012","17.971","0.0014","90","","90","","90","","2762.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Oxo-18β-olean-12-en-28-oic acid methyl ester","","- C31 H48 O3 -","- C31 H48 O3 -","- C124 H192 O12 -","4","1","JZ1361","Gzella, Andrzej","Triterpenoide. XVIII. Kristallstrukturen von 2-Oxo- und 3-Oxo-18β-olean-12-en-28-säure-methylestern","Acta Crystallographica Section C","1999","55","12","2153","2156","10.1107/S0108270199011567","","","1.54178","CuKα","","0.038","0.031","","","","0.09","","","","","","1.058","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009291","6.8765","0.0012","13.607","0.0014","29.118","0.003","90","","90","","90","","2724.5","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Oxo-18β-olean-12-en-28-oic acid methyl ester","","- C31 H48 O3 -","- C31 H48 O3 -","- C124 H192 O12 -","4","1","JZ1361","Gzella, Andrzej","Triterpenoide. XVIII. Kristallstrukturen von 2-Oxo- und 3-Oxo-18β-olean-12-en-28-säure-methylestern","Acta Crystallographica Section C","1999","55","12","2153","2156","10.1107/S0108270199011567","","","1.54178","CuKα","","0.048","0.037","","","","0.111","","","","","","1.045","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009292","7.393","0.001","7.736","0.001","8.679","0.001","91.01","0.01","105.43","0.01","109.98","0.01","446.44","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","EtOOH","4,6-Diethoxy-1,3,5-triazin-2(1H)-one","","- C7 H11 N3 O3 -","- C7 H11 N3 O3 -","- C14 H22 N6 O6 -","2","1","JZ1365","Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem","4,6-Diethoxy-1,3,5-triazin-2(1<i>H</i>)-one","Acta Crystallographica Section C","1999","55","12","2109","2111","10.1107/S010827019901149X","","","0.71073","MoKα","","0.0555","0.0379","","","","0.092","","","","","","0.901","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009293","8.178","0.002","10.674","0.003","12.992","0.003","75.79","0.01","75.94","0.01","88.62","0.01","1065.7","0.5","297","2","297","2","","","","","","","","7","P -1","-P 1","2","","η^5^-pentamethylcyclopentadienyl-η^4^-(2-methylbuta-1,3-diene)-acetonitrile- ruthenium(II) trifluoromethanesulfonate","","- C18 H26 F3 N O3 Ru S -","- C18 H26 F3 N O3 Ru S -","- C36 H52 F6 N2 O6 Ru2 S2 -","2","1","KA1309","Gemel, Christian; Kirchner, Karl; Schmid, Roland; Mereiter, Kurt","(Acetonitrile-<i>N</i>)(η^4^-2-methylbuta-1,3-diene)(η^5^-pentamethylcyclopentadienyl)ruthenium(II) trifluoromethanesulfonate","Acta Crystallographica Section C","1999","55","12","2053","2055","10.1107/S0108270199012342","","","0.71073","MoKα","","0.035","0.03","","","","0.077","","","","","","1.062","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009294","8.338","0.001","8.973","0.001","14.393","0.002","80.337","0.014","84.339","0.014","63.179","0.013","947","0.2","100","2","","","","","","","","","","3","P -1","-P 1","2","Decabromodiphenylether","Decabromodiphenylether","","- C12 Br10 O -","- C12 Br10 O -","- C24 Br20 O2 -","2","1","KA1314","Eriksson, Johan; Eriksson, Lars; Jakobsson, Eva","Decabromodiphenyl ether","Acta Crystallographica Section C","1999","55","12","2169","2171","10.1107/S0108270199008884","","","0.7107","MoKα","","0.0455","0.0323","","0.045","","0.0443","","","1.667","","","1.844","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009295","7.3308","0.0012","12.733","0.003","37.471","0.007","90","","90","","90","","3497.7","1.2","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-4b,8,8,10a-tetramethyl- 1,2-phenanthrenedicarboxaldehyde","","- C20 H30 O2 -","- C20 H30 O2 -","- C160 H240 O16 -","8","2","KA1332","Puliti, Raffaella; Mattia, Carlo Andrea","<i>ent</i>-Isocopal-12-ene-15,16-dialdehyde from <i>Spongia officinalis</i>","Acta Crystallographica Section C","1999","55","12","2160","2163","10.1107/S0108270199011233","","","1.54056","CuKα","","0.0614","0.0436","","","","0.0494","","","","","","0.918","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009296","5.865","0.002","14.179","0.003","19.487","0.003","90","","94.33","0.04","90","","1615.9","0.7","295.2","","295.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl3 N O2 -","- C16 H12 Cl3 N O2 -","- C64 H48 Cl12 N4 O8 -","4","1","KA1334","Kabak, Mehmet; Elerman, Yalc̨in; Güner, Vildan; Yildirir, Süleyman; Durlu, Tahsin Nuri","3,3-Dichloro-1-(<i>p</i>-chlorophenyl)-4-(<i>p</i>-methoxyphenyl)-2-azetidinone","Acta Crystallographica Section C","1999","55","12","2115","2117","10.1107/S0108270199012093","","","0.7107","MoKα","","0.121","0.065","","","","0.206","","","","","","1.227","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009297","21.644","0.009","5.398","0.002","16.765","0.005","90","","101.97","0.02","90","","1916.1","1.2","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","rac-5,5'-Bis(2-acetoxypropyl)-2,2'-furil","","- C20 H22 O8 -","- C20 H22 O8 -","- C80 H88 O32 -","4","0.5","KA1337","Handrosch, Carsten; Heinemann, Frank W.; Kisch, Horst","<i>rac</i>-5,5'-Bis(2-acetoxypropyl)-2,2'-furil","Acta Crystallographica Section C","1999","55","12","2184","2186","10.1107/S0108270199011919","","","0.71073","MoKα","","0.131","0.067","","","","0.191","","","","","","1.026","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009298","8.4311","0.0012","14.505","0.002","15.609","0.003","73.317","0.01","85.702","0.018","89.375","0.01","1823.3","0.5","158","2","158","2","","","","","","","","3","P -1","-P 1","2","","rac-(3R,5S)-5-(1-cyclopropyl-1-methyl-ethyl)-3,5-diphenyl-dihydrofuran-2-one","","- C22 H24 O2 -","- C22 H24 O2 -","- C88 H96 O8 -","4","2","KA1338","Bats, Jan W.; Hoyer, Karsten; Mulzer, Johann","<i>rac</i>-(3<i>R</i>,5<i>S</i>)-5-(1-Cyclopropyl-1-methylethyl)-3,5-diphenyl-2,3,4,5-tetrahydrofuran-2-one, a triclinic structure with local monoclinic pseudosymmetry","Acta Crystallographica Section C","1999","55","12","2124","2126","10.1107/S0108270199010161","","","0.71073","MoKα","","0.151","0.097","","","","0.147","","","","","","1.708","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009299","7.804","0.004","5.765","0.002","14.164","0.009","90","","102.37","0.01","90","","622.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(imidazole)bis(thiocyanato)cadmium(II)]","","- C8 H8 Cd N6 S2 -","- C8 H8 Cd N6 S2 -","- C16 H16 Cd2 N12 S4 -","2","0.5","OB1018","Chen, Hong-Ji; Yang, Guang; Chen, Xiao-Ming","<i>catena</i>-Poly[[bis(imidazole-<i>N</i>^3^)cadmium(II)]-bis(μ-thiocyanato)-<i>S</i>:<i>N</i>;<i>N</i>:<i>S</i>]","Acta Crystallographica Section C","1999","55","12","2012","2014","10.1107/S0108270199011075","","","0.71073","MoKα","","0.027","0.023","","","","0.059","","","","","","1.114","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009300","8.9483","0.0014","27.469","0.005","9.111","0.002","90","","90","","90","","2239.5","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4,5-Bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazole/ethyl acetate(3:1)","","- C24.33 H21.67 N3 O4.67 -","- C24.32 H19 N3 O4.66 -","- C97.28 H76 N12 O18.64 -","4","1","OB1019","Inouye, Yoshinobu; Shimokoshi, Shuko; Sakaino, Yoshiko","An ethyl acetate inclusion complex of 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","1999","55","12","2084","2087","10.1107/S0108270199011087","","","0.71073","MoKα","","0.189","0.077","","0.256","","0.182","","","1.192","","","1.403","","","warnings","has coordinates,has disorder","249443","2020-10-21","18:00:00",""
"2009301","8.896","0.001","26.771","0.005","9.209","0.002","90","","90","","90","","2193.2","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4,5-Bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazole","","- C23 H19 N3 O4 -","- C23 H19 N3 O4 -","- C92 H76 N12 O16 -","4","1","OB1019","Inouye, Yoshinobu; Shimokoshi, Shuko; Sakaino, Yoshiko","An ethyl acetate inclusion complex of 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","1999","55","12","2084","2087","10.1107/S0108270199011087","","","0.71073","MoKα","","0.225","0.065","","0.213","","0.142","","","0.95","","","1.06","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009302","6.7367","0.0005","13.6547","0.0005","14.2727","0.0004","90","","93.392","0.005","90","","1310.61","0.11","295","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-dicarbomethoxy-1,2-butadienylirontricarbonyl","","- C11 H10 Fe O7 -","- C11 H10 Fe O7 -","- C44 H40 Fe4 O28 -","4","1","OB1020","Kongsaeree, Palangpon; Tanboriphan, Suthad; Tarnchompoo, Bongkoch; Thebtaranonth, Yodhathai","Tricarbonyliron complexes derived from dimethyl 1,3-butadiene-2,3-dicarboxylate: formation of [Fe(CO)~3~]~2~‒dimethyl 1,3-butadiene-2,3-dicarboxylate","Acta Crystallographica Section C","1999","55","12","2007","2010","10.1107/S0108270199011695","","","0.71073","MoKα","","0.0492","0.0385","","","","0.1226","","","","","","0.862","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009303","7.6839","0.0004","8.7128","0.0009","14.049","0.001","105.614","0.008","97.418","0.005","102.04","0.006","868.62","0.13","295","2","","","","","","","","","","4","P -1","-P 1","2","","2,3-dicarbomethoxy-1,2-butadienyl-bis-irontricarbonyl","","- C14 H10 Fe2 O10 -","- C14 H10 Fe2 O10 -","- C28 H20 Fe4 O20 -","2","1","OB1020","Kongsaeree, Palangpon; Tanboriphan, Suthad; Tarnchompoo, Bongkoch; Thebtaranonth, Yodhathai","Tricarbonyliron complexes derived from dimethyl 1,3-butadiene-2,3-dicarboxylate: formation of [Fe(CO)~3~]~2~‒dimethyl 1,3-butadiene-2,3-dicarboxylate","Acta Crystallographica Section C","1999","55","12","2007","2010","10.1107/S0108270199011695","","","0.71073","MoKα","","0.0435","0.0366","","","","0.1126","","","","","","0.883","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009304","12.653","0.003","8.0849","0.0006","5.5247","0.0009","90","","95.408","0.008","90","","562.65","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl (R,Z)-(1-phenylethylimino)acetate N-oxide","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C22 H26 N2 O6 -","2","1","OB1021","Inouye, Yoshinobu; Ishimura, Tomoyuki","Methyl (<i>R</i>,<i>Z</i>)-(1-phenylethylimino)acetate <i>N</i>-oxide","Acta Crystallographica Section C","1999","55","12","2087","2088","10.1107/S0108270199011506","","","0.71073","MoKα","","0.093","0.054","","0.268","","0.188","","","0.917","","","0.801","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009305","9.5728","0.0003","16.3086","0.0006","9.0007","0.0003","90","","112.114","0.003","90","","1301.81","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[tetraaquapraesodymium(III)-μ-(iminiodiacetato-O,O':O':O'',O''':O''')] dichloride hydrate]","","- C4 H16 Cl2 N O9 Pr -","- C4 H16 Cl2 N O9 Pr -","- C16 H64 Cl8 N4 O36 Pr4 -","4","1","OS1068","Li, Jun-Ran; Wang, Zhe-Ming; Yan, Chun-Hua; Zhou, Li-Ping; Jin, Tian-Zhu","Poly[[tetraaquapraesodymium(III)-μ-(iminiodiacetato-<i>O</i>,<i>O</i>':<i>O</i>':<i>O</i>'',<i>O</i>''':<i>O</i>''')] dichloride hydrate]","Acta Crystallographica Section C","1999","55","12","2073","2075","10.1107/S0108270199011658","","","0.71073","MoKα","","0.021","0.019","","","","0.047","","","","","","1.163","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009306","22.294","0.002","22.294","0.002","22.294","0.002","90","","90","","90","","11080.6","1.7","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","rubidium tetracontaoxo(hydro)(dodecamolybdo)vanadate tetradecahydrate","","- H29.89 Mo12 O54.95 Rb4.361 V0.616 -","- Mo12 O54.96 Rb4.362 V0.62 -","- Mo96 O439.68 Rb34.896 V4.96 -","8","0.0416667","OS1070","Pay Gómez, Cesar; Eriksson, Lars","Heteropoly blue Rb~4.4~[H~0.6~V~0.6~Mo~12~O~40~]","Acta Crystallographica Section C","1999","55","12","1974","1976","10.1107/S0108270199011208","","","0.71073","MoKα","","0.065","0.054","","","","0.186","","","","","","1.154","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009307","5.4835","0.0004","12.3418","0.0008","29.4245","0.0019","90","","90","","90","","1991.3","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alanyl-L-phenylalanine–2-propanol solvate (1/2)","","- C18 H32 N2 O5 -","- C18 H32 N2 O5 -","- C72 H128 N8 O20 -","4","1","OS1078","Görbitz, Carl Henrik","<small>L</small>-Alanyl-<small>L</small>-phenylalanine–2-propanol (1/2) (α-form), <small>L</small>-valyl-<small>L</small>-phenylalanine–2-propanol (1/1) and <small>L</small>-leucyl-<small>L</small>-phenylalanine–2-propanol (1/1) (β-form)","Acta Crystallographica Section C","1999","55","12","2171","2177","10.1107/S0108270199011415","","","0.71073","MoKα","","0.113","0.076","","","","0.203","","","","","","1.096","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009308","9.8958","0.0002","22.3517","0.0006","16.4571","0.0003","90","","90.023","0.001","90","","3640.11","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-valyl-L-phenylalanine–2-propanol solvate (1/1)","","- C17 H28 N2 O4 -","- C17 H28 N2 O4 -","- C136 H224 N16 O32 -","8","4","OS1078","Görbitz, Carl Henrik","<small>L</small>-Alanyl-<small>L</small>-phenylalanine–2-propanol (1/2) (α-form), <small>L</small>-valyl-<small>L</small>-phenylalanine–2-propanol (1/1) and <small>L</small>-leucyl-<small>L</small>-phenylalanine–2-propanol (1/1) (β-form)","Acta Crystallographica Section C","1999","55","12","2171","2177","10.1107/S0108270199011415","","","0.71069","MoKα","","0.158","0.08","","","","0.139","","","","","","1.018","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009309","10.0858","0.0002","16.3754","0.0002","11.7987","0.0002","90","","91.698","0.001","90","","1947.81","0.06","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-leucyl-L-phenylalanine‒2-propanol solvate (1/1)","","- C18 H30 N2 O4 -","- C18 H30.102 N2 O4.051 -","- C72 H120.408 N8 O16.204 -","4","2","OS1078","Görbitz, Carl Henrik","<small>L</small>-Alanyl-<small>L</small>-phenylalanine‒2-propanol (1/2) (α-form), <small>L</small>-valyl-<small>L</small>-phenylalanine‒2-propanol (1/1) and <small>L</small>-leucyl-<small>L</small>-phenylalanine‒2-propanol (1/1) (β-form)","Acta Crystallographica Section C","1999","55","12","2171","2177","10.1107/S0108270199011415","","","0.71073","MoKα","","0.153","0.079","","","","0.169","","","","","","1.05","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009310","10.586","0.002","11.925","0.002","7.803","0.002","90","","105.64","0.03","90","","948.6","0.4","193","2","193","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Diaqua{hydrogen bis[1-(pyridin-2-yl)ethanone oximato-N,N']}nickel(II) perchlorate hydrate.","","- C14 H21 Cl N4 Ni O9 -","- C14 H21 Cl N4 Ni O9 -","- C28 H42 Cl2 N8 Ni2 O18 -","2","0.5","OS1079","Pajunen, Aarne; Orama, Marjatta; Saarinen, Heikki","Diaqua{hydrogen bis[1-(2-pyridyl)ethanone oximato-<i>N</i>,<i>N</i>']}nickel(II) perchlorate hydrate","Acta Crystallographica Section C","1999","55","12","2075","2077","10.1107/S010827019901166X","","","0.71073","MoKα","","0.03","0.03","","","","0.084","","","","","","1.115","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009311","7.002","0.002","18.442","0.005","11.443","0.002","90","","102.72","0.02","90","","1441.4","0.6","298.2","","298.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-methoxy-1,3-dimethyl-12-thioxopyrido[1',2':3,4]- imidazo[1,2-a][1,3]benzimidazol-2(12H)-one","","- C16 H13 N3 O2 S -","- C16 H13 N3 O2 S -","- C64 H52 N12 O8 S4 -","4","1","QA0184","Moses Babu, J.; Vyas, K.; Prabhakar, C.; Sreenivas Rao, D.; Om Reddy, G.","An omeprazole impurity","Acta Crystallographica Section C","1999","55","12","IUC9900162","","10.1107/S0108270199098194","","","1.5418","CuKα","","0.074","0.059","","0.104","","0.094","","","1.927","","","1.967","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009312","12.186","0.001","8.7763","0.0009","20.4128","0.0009","90","","104.593","0.004","90","","2112.7","0.3","298.2","","298.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[4-Acetyloxy-3,5,6-trimethyl-1-[4-nitrobenzoyl]oxy-2-yl]butan-2-one","","- C22 H23 N O7 -","- C22 H23 N O7 -","- C88 H92 N4 O28 -","4","1","QA0185","Prabhakar, C.; Vyas, K.; Moses Babu, J.; Sarma, M. R.; Om Reddy, G.","4-Acetoxy-3,5,6-trimethyl-2-(3-oxobutyl)phenyl 4-nitrobenzoate","Acta Crystallographica Section C","1999","55","12","IUC9900160","","10.1107/S0108270199098212","","","1.5418","CuKα","","0.0619","0.0482","","0.0836","","0.0797","","","1.799","","","1.931","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009313","10.136","0.005","16.778","0.006","5.066","0.006","97.62","0.07","100.65","0.06","95.95","0.04","831.9","1.1","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","Celecoxib","4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyazol-1-yl]benezenesulfonamide","","- C17 H14 F3 N3 O2 S -","- C17 H14 F3 N3 O2 S -","- C34 H28 F6 N6 O4 S2 -","2","1","QA0186","Vasu Dev, R.; Shashi Rekha, K.; Vyas, K.; Mohanti, S. B.; Rajender Kumar, P.; Om Reddy, G.","Celecoxib, a COX-II inhibitor","Acta Crystallographica Section C","1999","55","12","","","10.1107/S0108270199098200","","","1.5418","CuKα","","0.115","0.088","","0.096","","0.092","","","1.746","","","1.881","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009314","7.7633","0.0008","22.049","0.002","13.0223","0.0019","90","","90","","90","","2229.1","0.4","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-Dioxo-7-(D-arabino-1,2,3,4-tetraacetyloxibutyl)-1-methyl- 1,2,3,4-tetrahydropteridine","","- C19 H22 N4 O10 -","- C19 H22 N4 O10 -","- C76 H88 N16 O40 -","4","1","QA0188","Low, John Nicolson; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo","7-(<small>D</small>-<i>arabino</i>-1,2,3,4-Tetraacetoxybutyl)-1-methyl-1,2,3,4-tetrahydropteridine-2,4-dione","Acta Crystallographica Section C","1999","55","12","IUC9900163","","10.1107/S0108270199098297","","","0.71073","MoKα","","0.122","0.06","","","","0.117","","","","","","0.939","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009315","14.3951","0.0011","8.9771","0.0009","19.052","0.002","90","","90","","90","","2462","0.4","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Amino-5-N-acetyl-N-(β-D-3,4,6-tri-O-acetylglucopyranosyl)amino- 2,4-dioxo-1,2,3,4-tetrahydro-3-methylpyrimidine, water solvent","","- C19 H28 N4 O12 -","- C19 H28 N4 O12 -","- C76 H112 N16 O48 -","4","1","QA0191","Low, John Nicolson; Cobo, Justo; Molina, Sebastián; Sánchez, Adolfo; Nogueras, Manuel; Ferguson, George","Two polyacetylated 6-amino-5-[<i>N</i>-(β-<small>D</small>-glucopyranosyl)amino]-3-methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones","Acta Crystallographica Section C","1999","55","12","IUC9900164","","10.1107/S0108270199098285","","","0.71073","MoKα","","0.088","0.054","","","","0.148","","","","","","1.019","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009316","9.0315","0.0008","17.0918","0.0013","18.1487","0.0013","90","","90","","90","","2801.5","0.4","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Acetamido-5-N-acetyl-N-(β-D-2,3,4,6-tetra-O-acetylglucopyranosyl)amino- 2,4-dioxo-1,2,3,4-tetrahydro-3-methyl-pyrimidine","","- C23 H30 N4 O13 -","- C23 H30 N4 O13 -","- C92 H120 N16 O52 -","4","1","QA0191","Low, John Nicolson; Cobo, Justo; Molina, Sebastián; Sánchez, Adolfo; Nogueras, Manuel; Ferguson, George","Two polyacetylated 6-amino-5-[<i>N</i>-(β-<small>D</small>-glucopyranosyl)amino]-3-methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones","Acta Crystallographica Section C","1999","55","12","IUC9900164","","10.1107/S0108270199098285","","","0.71073","MoKα","","0.074","0.039","","","","0.099","","","","","","0.986","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009317","10.055","0.002","10.405","0.002","12.138","0.002","100.89","0.03","98.99","0.03","96.72","0.03","1217.6","0.4","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","Piperidinium 6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione","","- C10 H17 N5 O3 -","- C10 H17 N5 O3 -","- C40 H68 N20 O12 -","4","2","QB0126","Low, John Nicolson; Cobo, Justo; Melguizo, Manuel; Nogueras, Manuel; Sanchez, Adolfo","Piperidinium 6-amino-3-methyl-5-nitroso-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ide","Acta Crystallographica Section C","1999","55","12","IUC9900153","","10.1107/S0108270199098303","","","0.71073","MoKα","","0.103","0.051","","","","0.135","","","","","","0.988","","","","has coordinates,has Fobs","198282","2020-10-21","18:00:00",""
"2009318","4.9241","0.0014","4.9241","","23.875","0.004","90","","90","","120","","501.33","0.17","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- La Mg2 Ni9 -","- La Mg2 Ni9 -","- La3 Mg6 Ni27 -","3","0.0833333","QB0128","Kadir, Karim; Yamamoto, Hitoshi; Sakai, Tetsuo; Uehara, Itsuki; Kanehisa, Noduko; Kai, Yasushi; Eriksson, Lars","LaMg~2~Ni~9~, an example of the new <i>AB</i>~2~<i>C</i>~9~ structure type","Acta Crystallographica Section C","1999","55","12","IUC9900152","","10.1107/S0108270199098418","","","0.71069","MoKα","","0.051","0.049","","","","0.145","","","","","","1.086","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009319","19.477","0.004","17.178","0.003","15.262","0.003","90","","107.23","0.03","90","","4877.1","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","O,O-two(β-trinitrideethyl)-α-p-toluenesulfonamido-α-m- nitrobenzalphospite","","- C18 H21 N8 O7 P S -","- C18 H21 N8 O7 P S -","- C144 H168 N64 O56 P8 S8 -","8","2","QB0129","Zhang, Jin-nan; Ye, Ling; Xi, Hong-wei; Li, Qi","Bis(2-azidoethyl) [(3-methylphenyl)(<i>p</i>-toluenesulfonamido)methyl]phosphonate","Acta Crystallographica Section C","1999","55","12","IUC9900157","","10.1107/S0108270199098224","","","0.71073","MoKα","","0.106","0.061","","0.232","0.161","","","","1.043","1.121","1.121","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009320","10.0695","0.0008","8.2112","0.0006","29.701","0.003","90","","90","","90","","2455.8","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Phenylferrocene","Phenylferrocene","","- C16 H14 Fe -","- C16 H14 Fe -","- C128 H112 Fe8 -","8","1","QB0130","Fan, Hua-Jun; Carducci, Michael D.; Grittini, Carina; Mendoza, Alvaro; Lichtenberger, Dennis L.","Phenylferrocene","Acta Crystallographica Section C","1999","55","12","IUC9900154","","10.1107/S0108270199098406","","","0.71073","MoKα","","0.104","0.04","","","","0.092","","","","","","1.019","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009321","6.728","0.0008","6.728","0.0019","6.728","0.0013","90","","90","","90","","304.55","0.11","293","2","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- B H4 K -","- B H4 K -","- B4 H16 K4 -","4","0.0208333","QB0131","Luck, Rudy L.; Schelter, Eric J.","Potassium borohydride","Acta Crystallographica Section C","1999","55","12","IUC9900151","","10.1107/S010827019909842X","","","0.71073","MoKα","","","0.005","","","","0.011","","","","","","1.239","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009322","9.139","0.001","13.522","0.002","17.737","0.002","90","","90","","90","","2191.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis(methylcyclopentadienyl)(piperidino-N)ytterbium piperidinate","","- C22 H35 N2 Yb -","- C22 H35 N2 Yb -","- C88 H140 N8 Yb4 -","4","1","QB0132","Wang, Yaorong; Yao, Yingming; Shen, Qi; Yu, Kaibei","Bis(η^5^-methylcyclopentadienyl)(piperidine-<i>N</i>)(piperidinido-<i>N</i>)ytterbium","Acta Crystallographica Section C","1999","55","12","IUC9900159","","10.1107/S0108270199098376","","","0.71073","MoKα","","0.029","0.024","","","","0.055","","","","","","0.96","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009323","10.4027","0.0002","11.5682","0.0002","14.9296","0.0003","77.0833","0.0013","72.0218","0.0012","85.2316","0.0011","1665.48","0.06","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","Dimethyl-2-(6-benzyloxy-2-methylthio-4-pyrimidinyl)imino-3-(triphenyl- λ^5^-phosphanylidene)succinate","","- C36 H32 N3 O5 P S -","- C36 H32 N3 O5 P S -","- C72 H64 N6 O10 P2 S2 -","2","1","QB0133","Cobo, Justo; Molina, Sebastián; Sánchez, Adolfo; Nogueras, Manuel; Low, John Nicolson","Dimethyl 2-(6-benzyloxy-2-methylthiopyrimidin-4-yl)imino-3-(triphenyl-λ^5^-phosphanylidene)succinate","Acta Crystallographica Section C","1999","55","12","IUC9900150","","10.1107/S0108270199098315","","","0.71073","MoKα","","0.065","0.042","","","","0.128","","","","","","1.077","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009324","33.1828","0.0016","6.3349","0.0007","5.5592","0.0008","90","","92.406","0.007","90","","1167.6","0.2","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Alanyl-L-leucine hemihydrate","","- C9 H19 N2 O3.5 -","- C9 H19 N2 O3.5 -","- C36 H76 N8 O14 -","4","1","QB0134","Görbitz, Carl Henrik","<small>L</small>-Alanyl-<small>L</small>-leucine hemihydrate","Acta Crystallographica Section C","1999","55","12","IUC9900149","","10.1107/S0108270199098327","","","0.71073","MoKα","","0.0798","0.0752","","","","0.1978","","","","","","1.156","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009325","11.2104","0.0002","11.009","0.0002","30.5831","0.0006","90","","93.44","0.001","90","","3767.62","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","diazidobis(4,4'-di-tert-butyl-2,2'-bipyridine-N,N')manganese(II)","","- C36 H48 Mn N10 -","- C36 H48 Mn N10 -","- C144 H192 Mn4 N40 -","4","1","QB0135","Shen, Zhen; Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Zuo, Jing-lin; You, Xiao-Zeng","Diazidobis(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine-<i>N</i>,<i>N</i>')manganese(II)","Acta Crystallographica Section C","1999","55","12","IUC9900167","","10.1107/S0108270199098352","","","0.71073","MoKα","","0.103","0.058","","","","0.155","","","","","","0.939","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009326","7.8759","0.0002","13.4002","0.0003","7.2779","0.0001","90","","110.632","0.001","90","","718.84","0.03","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Cl N -","- C6 H8 Cl N -","- C24 H32 Cl4 N4 -","4","0.5","QB0137","Faber, Alexander; Lemke, Alexander; Spangenberg, Björn; Bolte, Michael","Three hydrohalogenides of organic nitrogen bases","Acta Crystallographica Section C","1999","55","12","IUC9900156","","10.1107/S0108270199098261","","","0.71073","MoKα","","0.0344","0.031","","0.083","0.0809","0.083","","","1.112","","","1.112","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009327","7.396","0.001","15.277","0.003","12.336","0.002","90","","91.23","0.02","90","","1393.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Cl N -","- C6 H8 Cl N -","- C48 H64 Cl8 N8 -","8","2","QB0137","Faber, Alexander; Lemke, Alexander; Spangenberg, Björn; Bolte, Michael","Three hydrohalogenides of organic nitrogen bases","Acta Crystallographica Section C","1999","55","12","IUC9900156","","10.1107/S0108270199098261","","","0.71073","MoKα","","0.185","0.087","","","","0.151","","","","","","1.055","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009328","12.973","0.002","6.491","0.001","8.327","0.001","90","","90","","90","","701.2","0.17","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H8 Br N -","- C6 H8 Br N -","- C24 H32 Br4 N4 -","4","0.5","QB0137","Faber, Alexander; Lemke, Alexander; Spangenberg, Björn; Bolte, Michael","Three hydrohalogenides of organic nitrogen bases","Acta Crystallographica Section C","1999","55","12","IUC9900156","","10.1107/S0108270199098261","","","0.71073","MoKα","","0.03","0.026","","","","0.058","","","","","","1.171","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009329","12.639","0.006","13.674","0.006","16.599","0.006","109.19","0.02","101.56","0.02","91.71","0.02","2640","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Octabutyl 1-κ^2^C,2κ^2^C,3κ^2^C,4κ^2^C- tetrakis[μ-(2,3-diphenylquinoxalinyl-8-carboxylato)]- 1:2κ^2^O,O';2:3κ^2^O;3:4κ^2^O,O';1:4κ^2^O- bis-μ~3~-oxo-1:2:3κ^3^O-tetratin","","- C116 H124 N8 O10 Sn4 -","- C116 H124 N8 O10 Sn4 -","- C116 H124 N8 O10 Sn4 -","1","0.5","QB0138","Lo, Kong Mun; Ng, Seik Weng","Bis[1,1,3,3-tetrabutyl-1,3-bis(2,3-diphenylquinoxaline-6-carboxylato)-1,3-distannoxane]","Acta Crystallographica Section C","1999","55","12","IUC9900155","","10.1107/S010827019909839X","","","0.71073","MoKα","","0.139","0.07","","","","0.172","","","","","","1.01","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009330","22.474","0.006","7.36","0.001","18.283","0.005","90","","122.85","0.01","90","","2540.6","1.1","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cu N4 O4 -","- C12 H8 Cu N4 O4 -","- C96 H64 Cu8 N32 O32 -","8","1","QB0139","Breneman, Gary L.; Howald, Carl W.; Parker, O. Jerry","Dinitrito(1,10-phenanthroline)copper(II)","Acta Crystallographica Section C","1999","55","12","IUC9900158","","10.1107/S0108270199098388","","","0.71073","MoKα","","","0.034","","","","0.051","","","","","","1.87","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009331","12.4124","0.0005","13.8275","0.0004","14.3744","0.0006","91.747","0.002","106.638","0.0017","99.61","0.002","2322.64","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","4-(4-chlorophenyl)-5-cyano-3-(4-methylphenyl)-6-diphenyl-4,7-dihydro-2H-pyrazolo [3,4-b]pyridine:dimethylformamide (2/1)","","- C55 H45 Cl2 N9 O -","- C55 H45 Cl2 N9 O -","- C110 H90 Cl4 N18 O2 -","2","1","QB0140","Quiroga, Jairo; Cruz, Silvia; Insuasty, Braulio; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo; Low, John Nicolson","Three 3-aryl-5-cyanopyrazolo[3,4-<i>b</i>]pyridines","Acta Crystallographica Section C","1999","55","12","IUC9900168","","10.1107/S0108270199098273","","","0.71073","MoKα","","0.16","0.062","","","","0.162","","","","","","0.934","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009332","15.6264","0.0003","12.4397","0.0002","21.1296","0.0004","90","","91.4371","0.0009","90","","4106.04","0.13","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-Cyano-4-(4-methoxyphenyl)-3,6-diphenyl-4,7-dihydro-2H-pyrazolo- [3,4-b]pyridine","","- C26 H20 N4 O -","- C26 H20 N4 O -","- C208 H160 N32 O8 -","8","1","QB0140","Quiroga, Jairo; Cruz, Silvia; Insuasty, Braulio; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo; Low, John Nicolson","Three 3-aryl-5-cyanopyrazolo[3,4-<i>b</i>]pyridines","Acta Crystallographica Section C","1999","55","12","IUC9900168","","10.1107/S0108270199098273","","","0.71073","MoKα","","0.0561","0.0477","","","","0.1288","","","","","","1.057","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009333","6.6222","0.0005","11.0791","0.001","28.264","0.002","90","","96.248","0.005","90","","2061.4","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4-Bis(4-chlorophenyl)-5-cyano-6-phenyl-1H-pyrazolo-[3,4-b]pyridine","","- C25 H14 Cl2 N4 -","- C25 H14 Cl2 N4 -","- C100 H56 Cl8 N16 -","4","1","QB0140","Quiroga, Jairo; Cruz, Silvia; Insuasty, Braulio; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo; Low, John Nicolson","Three 3-aryl-5-cyanopyrazolo[3,4-<i>b</i>]pyridines","Acta Crystallographica Section C","1999","55","12","IUC9900168","","10.1107/S0108270199098273","","","0.71073","MoKα","","0.16","0.0576","","","","0.115","","","","","","0.935","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009334","15.758","0.003","15.306","0.002","14.496","0.002","90","","90","","90","","3496.3","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Perchlorato[(5RS,9SR)-1,5,9,13-tetraazatridecane]copper(II) perchlorate","","- C9 H24 Cl2 Cu N4 O8 -","- C9 H24 Cl2 Cu N4 O8 -","- C72 H192 Cl16 Cu8 N32 O64 -","8","1","QB0141","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Tung, Shu-Fang; Chung, Chung-Sun","[(5<i>RS</i>,9<i>SR</i>)-4,8-Diazaundecane-1,11-diamine](perchlorato-<i>O</i>,<i>O</i>')copper(II) perchlorate","Acta Crystallographica Section C","1999","55","12","IUC9900172","","10.1107/S0108270199098339","","","0.71073","MoKα","","0.165","0.058","","","","0.164","","","","","","0.955","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009335","9.266","0.001","9.664","0.001","16.649","0.001","90","","98.47","0.01","90","","1474.6","0.2","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","QB0143","Jerdioui, Badia; Zenkouar, Mohammed; El-Bali, Brahim; Bolte, Michael","<i>trans</i>-Bis(4-quinolyl)ethylene","Acta Crystallographica Section C","1999","55","12","IUC9900169","","10.1107/S0108270199098248","","","0.71073","MoKα","","0.0554","0.0386","","","","0.1046","","","","","","1.007","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009336","8.856","0.001","9.349","0.001","19.778","0.001","90","","90","","90","","1637.5","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-Phenyl-but-3-en-2-one","","- C10 H10 O -","- C10 H10 O -","- C80 H80 O8 -","8","1","QB0145","Degen, Alexander; Bolte, Michael","4-Phenylbut-3-en-2-one (benzalacetone)","Acta Crystallographica Section C","1999","55","12","IUC9900170","","10.1107/S0108270199098236","","","0.71073","MoKα","","0.0496","0.0411","","","","0.1218","","","","","","1.108","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009337","20.1188","0.0002","30.5945","0.0004","14.5526","0.0002","90","","107.048","0.001","90","","8563.89","0.19","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","/m-Oxo-/m-chloro-acetato-bis(dichlorotriphenylphosphinerhenium) chlorofrom solvate","","- C39 H34 Cl8 O3 P2 Re2 -","- C39 H34 Cl8 O3 P2 Re2 -","- C312 H272 Cl64 O24 P16 Re16 -","8","2","QB0147","Powell, Clem; Burrell, Anthony K.","μ-Acetato-μ-chloro-μ-oxo-bis[dichloro(triphenylphosphine)rhenium] chloroform solvate","Acta Crystallographica Section C","1999","55","12","IUC9900171","","10.1107/S0108270199098340","","","0.71073","MoKα","","0.052","0.037","","","","0.091","","","","","","1.199","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009338","11.333","0.002","16.949","0.003","13.344","0.002","90","","108.17","0.01","90","","2435.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N3 O4 -","- C30 H23 N3 O4 -","- C120 H92 N12 O16 -","4","1","QB0148","Badri, Rahima; Kerbal, Abdelali; Najib, Bitit; El-Bali, Brahim; Escudie, Jean; Ranaivonjatovo, Henry; Bolte, Michael","3'-(<i>p</i>-Nitrophenyl)-2-phenyl-4'-(<i>p</i>-tolyl)spiro[isoquinoline-3(2<i>H</i>),5'(4'<i>H</i>)-isoxazolin]-4(1<i>H</i>)-one","Acta Crystallographica Section C","1999","55","12","IUC9900165","","10.1107/S010827019909825X","","","0.71073","MoKα","","0.093","0.052","","","","0.125","","","","","","1.032","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009339","13.919","0.004","9.211","0.004","14.856","0.004","90","","107.7","0.02","90","","1814.5","1.1","296.2","","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","[1,3-dithiol-4,5-(3,4,5,6-tetramethylthio)-benzo-2-ylidnene, dichloro-Copper(II)]","","- C11 H12 Cl2 Cu S7 -","- C11 H12 Cl2 Cu S7 -","- C44 H48 Cl8 Cu4 S28 -","4","1","QB0149","Dai, Jie; Bian, Guo-qing; Zhou, Min-Yan; Maekawa, Masahiko; Munakata, Megumu","Dichloro(3,4,5,6-tetramethylthio-1,3-benzodithiazole-2-thione-<i>S</i>^5^,<i>S</i>^6^)copper(II)","Acta Crystallographica Section C","1999","55","12","IUC9900166","","10.1107/S0108270199098364","","","0.7107","MoKα","","","0.05","","","","0.1281","","","","","","1.011","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2009340","9.069","0.005","19.378","0.006","16.964","0.007","90","","105.15","0.05","90","","2878","2","301","2","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C29 H30 Cl2 N4 Ni O2 Zn -","- C29 H30 Cl2 N4 Ni O2 Zn -","- C116 H120 Cl8 N16 Ni4 O8 Zn4 -","4","1","SK1264","Atakol, Orhan; Ercan, Filiz; Arici, Cengiz; Fuess, Hartmut; Svoboda, Ingrid","{[μ-Bis(salicylidene)-1,3-propanediaminato]-bis(4-methylpyridine)nickel(II)}dichlorozinc(II)","Acta Crystallographica Section C","1999","55","12","2023","2026","10.1107/S0108270199010707","","","0.71073","MoKα","","","0.029","","","0.076","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009341","4.7651","0.0006","9.3404","0.0015","37.066","0.006","90","","90","","90","","1649.7","0.4","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","Zinc heptanoate","Anhydrous Zinc(II) Heptanoate","","- C14 H26 O4 Zn -","- C14 H26 O4 Zn -","- C56 H104 O16 Zn4 -","4","1","SK1286","Jerôme Peultier; Michel Francois; Jean Steinmetz","Anhydrous polymeric zinc(II) heptanoate","Acta Crystallographica Section C","1999","55","12","2064","2065","10.1107/S0108270199008483","","","1.5418","CuKα","","0.112","0.055","","","","0.159","","","","","","0.908","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009342","10.336","0.004","11.65","0.004","5.846","0.003","97.45","0.04","96.11","0.04","83.5","0.03","690.5","0.5","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","2-chloro-4-benzoyl-6-phenyl pyrimidine","","- C17 H11 Cl N2 O -","- C17 H11 Cl N2 O -","- C34 H22 Cl2 N4 O2 -","2","1","SK1294","Mukherjee, Monika; Maiti, Susim; Khan, M. Wahab; Helliwell, Madeleine; Kundu, Nitya G.","4-Benzoyl-2-chloro-6-phenylpyrimidine","Acta Crystallographica Section C","1999","55","12","2186","2188","10.1107/S0108270199011865","","","0.71071","MoKα","","0.07","0.049","","0.134","","0.123","","","1.056","","","1.109","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009343","7.869","0.002","10.113","0.003","10.771","0.005","76.21","0.03","85.78","0.03","84.6","0.03","827.6","0.5","293","2","293","2","","","","","","","","3","P 1","P 1","1","","3α-Hydroxy-5α-androstane-4,17-dione","","- C19 H28 O3 -","- C19 H28 O3 -","- C38 H56 O6 -","2","2","SK1300","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3α-Hydroxy-5α-androstane-4,17-dione","Acta Crystallographica Section C","1999","55","12","2149","2151","10.1107/S0108270199011877","","","0.71073","MoKα","","0.096","0.039","","","","0.113","","","","","","1.005","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009344","13.3506","0.0003","9.4397","0.0001","13.5106","0.0003","90","","109.566","0.001","90","","1604.36","0.05","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dioxo-bis(8-quinolinolato-N,O)tungsten(VI)","","- C18 H12 N2 O4 W -","- C18 H12 N2 O4 W -","- C72 H48 N8 O16 W4 -","4","0.5","SK1319","S.Shanmuga Sundara Raj; Hoong-Kun Fun; Zhen-Feng Chen; Jing Zhang; Xiang Xue; Ren-Gen Xiong; Xiao-Zeng You","Dioxobis(8-quinolinolato-<i>N</i>,<i>O</i>)tungsten(VI)","Acta Crystallographica Section C","1999","55","12","2037","2039","10.1107/S0108270199010719","","","0.71073","MoKα","","0.04","0.035","","","","0.089","","","","","","1.04","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009345","7.5803","0.0008","18.4838","0.0012","5.5653","0.0005","90","","90","","90","","779.77","0.12","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","Potassiumdicoppervanadiumtetraselenide","Potassiumdicoppervanadiumtetraselenide","","- Cu2 K Se4 V -","- Cu2 K Se4 V -","- Cu8 K4 Se16 V4 -","4","0.5","SK1321","Tillinski, Ralf; Näther, Christian; Bensch, Wolfgang","KCu~2~VSe~4~","Acta Crystallographica Section C","1999","55","12","1959","1961","10.1107/S0108270199011427","","","0.71073","MoKα","","0.029","0.02","","0.047","0.045","","","","1.036","1.067","1.067","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009346","16.3","0.0008","5.455","0.001","34.976","0.002","90","","90.667","0.004","90","","3109.7","0.6","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5,5-triphenyl-(4H)-1,2,4-oxadiazoline","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C160 H128 N16 O8 -","8","2","SK1322","Szczepankiewicz, Wojciech; Suwiński, Jerzy; Słowikowska, Joanna","3,5,5-Triphenyl-4,5-dihydro-1,2,4-oxadiazole","Acta Crystallographica Section C","1999","55","12","2156","2158","10.1107/S0108270199012482","","","1.54178","CuKα","","","0.0396","","","","0.1509","","","","","","0.937","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009347","8.574","0.001","8.7391","0.001","9.9027","0.0011","102.879","0.013","97.367","0.014","100.535","0.014","700","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 Br4 Ru2 -","- C26 H34 Br4 Ru2 -","- C26 H34 Br4 Ru2 -","1","0.5","SK1323","Antonia Neels; Helen Stoeckli-Evans; Laurent Plasseraud; Eva Garcia Fidalgo; Georg Süss-Fink","Di-μ-bromo-bis[bromo(η^6^-<i>para</i>-cymene)ruthenium(II)] benzene solvate and di-μ-iodo-bis[(η^6^-<i>para</i>-cymene)iodoruthenium(II)] toluene solvate","Acta Crystallographica Section C","1999","55","12","2030","2032","10.1107/S0108270199010410","","","0.71073","MoKα","","0.0615","0.0566","","","","0.1389","","","","","","1.029","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009348","8.755","0.001","9.09","0.001","10.42","0.001","103.71","0.01","96.18","0.01","100.12","0.01","783.37","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H36 I4 Ru2 -","- C27 H35 I4 Ru2 -","- C27 H35 I4 Ru2 -","1","0.5","SK1323","Antonia Neels; Helen Stoeckli-Evans; Laurent Plasseraud; Eva Garcia Fidalgo; Georg Süss-Fink","Di-μ-bromo-bis[bromo(η^6^-<i>para</i>-cymene)ruthenium(II)] benzene solvate and di-μ-iodo-bis[(η^6^-<i>para</i>-cymene)iodoruthenium(II)] toluene solvate","Acta Crystallographica Section C","1999","55","12","2030","2032","10.1107/S0108270199010410","","","0.71073","MoKα","","0.0426","0.0361","","","","0.1231","","","","","","1.294","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009349","10.1188","0.0004","11.5242","0.0004","15.7404","0.0005","92.957","0.002","97.931","0.002","105.392","0.002","1745.25","0.11","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","4,4'-Biphenol–4,4'-bipyridyl (1/1)","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","2","SK1325","Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J.","Two independent <i>C</i>^2^~2~(20) chains in the hydrogen-bonded structure of 4,4'-biphenol–4,4'-bipyridyl (1/1)","Acta Crystallographica Section C","1999","55","12","2133","2136","10.1107/S0108270199010434","","","0.71073","MoKα","","0.083","0.044","","","","0.115","","","","","","0.953","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:34",""
"2009350","24.573","0.003","6.477","0.001","17.435","0.003","90","","128.72","0.01","90","","2165","0.6","125","","125","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-ethynyl-cyclohexylammonium acetate salt","","- C10 H17 N O2 -","- C10 H17 N O2 -","- C80 H136 N8 O16 -","8","1","SK1330","Steiner, Thomas; Schreurs, Antoine M. M.; Kroon, Jan","1-Ethynylcyclohexylammonium acetate","Acta Crystallographica Section C","1999","55","12","2131","2132","10.1107/S0108270199012469","","","0.71073","MoKα","","0.0605","0.0485","","","","0.1236","","","","","","1.095","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009351","27.9391","0.0008","27.9391","0.0008","12.7565","0.0004","90","","90","","90","","9957.6","0.5","100","1","100","1","","","","","","","","4","P -4","P -4","81","","2,2'-Biphenol—diazabicyclo[2.2.2]octane (2/1)","","- C30 H32 N2 O4 -","- C30 H32 N2 O4 -","- C480 H512 N32 O64 -","16","4","SK1331","Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J.","2,2'-Biphenol‒1,4-diazabicyclo[2.2.2]octane (2/1), a three-dimensional framework built from O—H···O, O—H···N, N—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","1999","55","12","2136","2140","10.1107/S0108270199011440","","","0.71073","MoKα","","0.1279","0.0572","","","","0.1619","","","","","","1.009","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009352","9.602","0.005","7.636","0.006","16.661","0.005","90","","92.16","0.03","90","","1220.7","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Argininium tris(acetato-O,O')dioxouranium(III)–acetic acid–water (1/1/1)","","- C14 H30 N4 O13 U -","- C14 H30 N4 O13 U -","- C28 H60 N8 O26 U2 -","2","1","SK1332","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Martin-Gil, J.","<small>L</small>-Argininium tris(acetato-<i>O</i>,<i>O</i>')dioxouranium(III)–acetic acid–water (1/1/1)","Acta Crystallographica Section C","1999","55","12","2039","2041","10.1107/S0108270199011907","","","0.71073","MoKα","","0.027","0.017","","","","0.043","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","301791","2025-08-18","23:15:34",""
"2009353","8.5705","0.0017","13.657","0.003","14.895","0.003","84.26","0.03","81.95","0.03","87.11","0.03","1716.4","0.6","293","2","293","2","","","","","","","","5","P 1","P 1","1","Alprozolam dihydrate","8-chloro-1-methyl-6-phenyl-4H-1,2,4-triazolo[4,3-a][1,4]benzodiazepine dihydrate","","- C17 H17 Cl N4 O2 -","- C17 H14.75 Cl N4 O2 -","- C68 H59 Cl4 N16 O8 -","4","4","SX1085","Daniel R. Vega; Ricardo Baggio; Silvia Russi","8-Chloro-1-methyl-6-phenyl-4<i>H</i>-1,2,4-triazolo[4,3-<i>a</i>][1,4]benzodiazepine dihydrate","Acta Crystallographica Section C","1999","55","12","2094","2096","10.1107/S0108270199010446","","","0.71073","MoKα","","0.074","0.043","","","","0.133","","","","","","1.001","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009354","11.2528","0.0016","25.346","0.002","13.0637","0.0015","90","","106.117","0.009","90","","3579.5","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tris(1,10-phenanthroline)nickel(II) nitrate thiourea solvate","","- C37 H30 N10 Ni O7 S -","- C37 H30 N10 Ni O7 S -","- C148 H120 N40 Ni4 O28 S4 -","4","0.5","SX1088","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.","Tris(1,10-phenanthroline)nickel(II) dinitrate thiourea monohydrate","Acta Crystallographica Section C","1999","55","12","1991","1993","10.1107/S0108270199011312","","","0.71069","MoKα","","0.0504","0.0395","","","","0.1162","","","","","","1.028","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009355","8.7543","0.0011","9.9307","0.0015","7.314","0.0016","108.537","0.014","106.347","0.014","85.225","0.012","578.48","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Di-μ-chloro(bis(2-pyridyl) ketone)copper(II)","","- C11 H8 Cl2 Cu N2 O -","- C11 H8 Cl2 Cu N2 O -","- C22 H16 Cl4 Cu2 N4 O2 -","2","1","SX1092","Mariezcurrena, Raúl A.; Mombrú, Alvaro W.; Suescun, Leopoldo; Kremer, Eduardo; González, Ricardo","<i>catena</i>-Poly[[[bis(2-pyridyl) ketone-<i>N</i>,<i>N</i>']copper(II)]-di-μ-chloro]","Acta Crystallographica Section C","1999","55","12","1989","1991","10.1107/S0108270199011750","","","0.71069","MoKα","","0.038","0.032","","","","0.096","","","","","","1.035","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009356","9.719","0.003","11.682","0.003","8.7504","0.0013","92.932","0.014","90.434","0.017","85.99","0.02","989.8","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","cis-dichloro(1,10-phenanthroline)tiourea-acuo-cobalt(II):tiourea","","- C14 H18 Cl2 Co N6 O S2 -","- C14 H18 Cl2 Co N6 O S2 -","- C28 H36 Cl4 Co2 N12 O2 S4 -","2","1","SX1094","Suescun, Leopoldo; Mariezcurrena, Raúl A.; Mombrú, Alvaro W.","[Co(phen)(thiourea)(H~2~ O)Cl~2~]^.^thiourea (phen is 1,10-phenanthroline)","Acta Crystallographica Section C","1999","55","12","2065","2068","10.1107/S0108270199011993","","","0.7107","MoKα","","0.0642","0.0409","","","","0.1223","","","","","","1.024","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009357","43.749","0.01","20.984","0.002","4.598","0.001","90","","90","","90","","4221.1","1.4","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2-pyridylcarboxaldehyde isonicotinoyl hydrazone","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C192 H160 N64 O16 -","16","1","TA1264","Richardson, Des R.; Becker, Erika; Bernhardt, Paul V.","The biologically active iron chelators 2-pyridylcarboxaldehyde isonicotinoylhydrazone, 2-pyridylcarboxaldehyde benzoylhydrazone monohydrate and 2-furaldehyde isonicotinoylhydrazone","Acta Crystallographica Section C","1999","55","12","2102","2105","10.1107/S0108270199011531","","","0.71073","MoKα","","0.108","0.05","","","","0.122","","","","","","1.034","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009358","7.1468","0.0006","11.994","0.007","29.493","0.005","90","","90","","90","","2528.1","1.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-pyridinecarboxaldehyde benzoyl hydrazone hydrate","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C104 H104 N24 O16 -","8","1","TA1264","Richardson, Des R.; Becker, Erika; Bernhardt, Paul V.","The biologically active iron chelators 2-pyridylcarboxaldehyde isonicotinoylhydrazone, 2-pyridylcarboxaldehyde benzoylhydrazone monohydrate and 2-furaldehyde isonicotinoylhydrazone","Acta Crystallographica Section C","1999","55","12","2102","2105","10.1107/S0108270199011531","","","0.71073","MoKα","","0.058","0.034","","","","0.127","","","","","","1.059","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009359","14.188","0.003","5.285","0.0003","26.954","0.006","90","","93.55","0.01","90","","2017.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-furfuryl isonicotinoyl hydrazone","","- C11 H9 N3 O2 -","- C11 H9 N3 O2 -","- C88 H72 N24 O16 -","8","2","TA1264","Richardson, Des R.; Becker, Erika; Bernhardt, Paul V.","The biologically active iron chelators 2-pyridylcarboxaldehyde isonicotinoylhydrazone, 2-pyridylcarboxaldehyde benzoylhydrazone monohydrate and 2-furaldehyde isonicotinoylhydrazone","Acta Crystallographica Section C","1999","55","12","2102","2105","10.1107/S0108270199011531","","","0.71073","MoKα","","0.18","0.047","","","","0.143","","","","","","0.971","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2019330","19.8165","0.0002","11.4468","0.0001","9.9208","0.0001","90","","109.185","0.0005","90","","2125.41","0.04","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","barium titanate","","- Ba4 O27 Ti12 -","- Ba4 O27 Ti12 -","- Ba16 O108 Ti48 -","4","0.5","","Currao, A.","Ba4Ti12O27: Rietveld refinement using X-ray powder diffraction data","Acta Crystallographica Section C Crystal Structure Communications","1999","55","1","2","","10.1107/S0108270198010919","","","1.54056","CuKα~1~","","","","","","","","","","1.541","1.541","1.541","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2020372","12.889","","25.096","","16.189","","90","","94.812","","90","","5218.08","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Na6 H4 (Bi2 Ni1.62 W20.38 O70 (H2 O)6) (H2 O)36","","- Bi2 H88 Na6 Ni1.62 O112 W20.38 -","- Bi2 Na5.998 Ni1.62 O112 W20.38 -","- Bi4 Na11.996 Ni3.24 O224 W40.76 -","2","0.5","","Rosu, C.; Weakley, T.J.R.","Hexasodium tetrahydrogen (di(triaquanickelo)icosatungstodibismuthate(III)(10-)) 36-hydrate, Na6 H4 (Bi2 Ni2 W20 O70 (H2 O)6) . 36(H2 O)","Acta Crystallographica C (39,1983-)","1999","55","","1","1","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2021871","11.0232","0.0002","15.1645","0.0002","24.2826","0.0001","90","","90","","90","","4059.11","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(dipropylthiocarbamoyl)disulfide","","- C14 H28 N2 S4 -","- C14 H28 N2 S4 -","- C112 H224 N16 S32 -","8","1","","Jian, F.; Jiang, L.; Fun, H.-K.; Chinnakali, K.; Razak, I. A.; You, X.","Bis(dipropylthiocarbamoyl) disulfide","Acta Crystallographica Section C Crystal Structure Communications","1999","55","4","573","","10.1107/S010827019801573X","","","0.71073","MoKα","","0.078","0.051","","","","0.143","","","","","","1.06","","","","has coordinates","246031","2020-10-21","18:00:00",""
"2021872","8.4341","0.0001","15.5112","0.0003","11.4293","0.0001","90","","90.397","0.001","90","","1495.18","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-2,4'-dihydroxy-3,3'-dimethoxy-5'-methylstilbene","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Li, S.; Lundquist, K.; Stomberg, R.","An investigation of 2,4'-dihydroxy-3,3'-dimethoxy-5'-methylstilbene using X-ray crystallography and NMR spectroscopy","Acta Crystallographica Section C Crystal Structure Communications","1999","55","6","1012","","10.1107/S0108270199000670","","","0.71073","MoKα","","0.057","0.043","","","","0.127","","","","","","1.053","","","","has coordinates","246032","2020-10-21","18:00:00",""
"2021873","9.198","0.001","10.559","0.001","10.593","0.001","68.94","0.01","79.01","0.01","67.41","0.01","884.78","0.17","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","Diisopropylammonium-Diphenylmethylnitronate","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C38 H52 N4 O4 -","2","1","","Sievert, M.; Nagel, N.; Bock, H.; Dienelt, R.","Diisopropylammonium diphenylmethylnitronate at 200K","Acta Crystallographica Section C Crystal Structure Communications","1999","55","7","1147","","10.1107/S0108270199003054","","","0.71073","MoKα","","0.0767","0.0448","","0.1142","0.0965","","","","1.022","1.068","1.068","","","","","has coordinates","246033","2020-10-21","18:00:00",""
"2105530","13.667","0.004","18.647","0.011","20.188","0.006","90","","90.72","0.02","90","","5144","4","243","2","243","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C58 H64 N2 O12 -","- C57.97 H44 N2 O11.99 -","- C231.88 H176 N8 O47.96 -","4","1","AN0547","Thuéry, Pierre; Nierlich, Martine; Calemczuk, Roberto; Saadioui, Mohamed; Asfari, Zouhair; Vicens, Jacques","Three conformational polymorphs and order‒disorder phase transition in a calix[4]arene bis(crown)","Acta Crystallographica Section B","1999","55","1","95","103","10.1107/S0108768198009252","","","0.71073","MoKα","","0.2004","0.1273","","0.385","0.3155","","","","1.105","1.363","1.363","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105531","20.341","0.006","11.709","0.003","23.875","0.008","90","","112.39","0.02","90","","5258","3","273","2","273","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C58 H64 N2 O12 -","- C58.06 H42 N2 O12.04 -","- C232.24 H168 N8 O48.16 -","4","1","AN0547","Thuéry, Pierre; Nierlich, Martine; Calemczuk, Roberto; Saadioui, Mohamed; Asfari, Zouhair; Vicens, Jacques","Three conformational polymorphs and order‒disorder phase transition in a calix[4]arene bis(crown)","Acta Crystallographica Section B","1999","55","1","95","103","10.1107/S0108768198009252","","","0.71073","MoKα","","0.1669","0.1074","","0.3669","0.28","","","","1.073","1.227","1.227","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105532","20.285","0.008","11.608","0.004","23.894","0.006","92.22","0.03","112.32","0.02","87.81","0.03","5199","3","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H64 N2 O12 -","- C58.11 H48 N2 O12.054 -","- C232.44 H192 N8 O48.216 -","4","2","AN0547","Thuéry, Pierre; Nierlich, Martine; Calemczuk, Roberto; Saadioui, Mohamed; Asfari, Zouhair; Vicens, Jacques","Three conformational polymorphs and order‒disorder phase transition in a calix[4]arene bis(crown)","Acta Crystallographica Section B","1999","55","1","95","103","10.1107/S0108768198009252","","","0.71073","MoKα","","0.1141","0.0797","","0.2451","0.2086","","","","0.965","1.015","1.015","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105533","6.5533","0.001","4.8848","0.001","10.148","0.002","90","","107.99","0.011","90","","308.97","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Tetrafluorohydroquinone","2,3,5,6-Tetrafluorohydroquinone","","- C6 H2 F4 O2 -","- C6 H2 F4 O2 -","- C12 H4 F8 O4 -","2","0.5","AN0560","Thalladi, Venkat R.; Weiss, Hans-Christoph; Boese, Roland; Nangia, Ashwini; Desiraju, Gautam R.","A comparative study of the crystal structures of tetrahalogenated hydroquinones and γ-hydroquinone","Acta Crystallographica Section B","1999","55","6","1005","1013","10.1107/S0108768199005911","","","0.71073","MoKα","","0.0559","0.0405","","0.1308","0.1143","","","","1.05","1.08","1.08","","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105534","8.8907","0.0002","4.7316","0.0001","11.0612","0.0003","90","","92.167","0.001","90","","464.981","0.019","303","2","303","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Tetrabromohydroquinone","2,3,5,6-Tetrabromohydroquinone","","- C6 H2 Br4 O2 -","- C6 H2 Br4 O2 -","- C12 H4 Br8 O4 -","2","0.5","AN0560","Thalladi, Venkat R.; Weiss, Hans-Christoph; Boese, Roland; Nangia, Ashwini; Desiraju, Gautam R.","A comparative study of the crystal structures of tetrahalogenated hydroquinones and γ-hydroquinone","Acta Crystallographica Section B","1999","55","6","1005","1013","10.1107/S0108768199005911","","","0.71073","MoKα","","0.0843","0.0665","","0.1462","0.1431","","","","0.929","1.16","1.16","","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105550","7.1633","0.0007","15.94","0.003","11.137","0.002","90","","98.44","0.01","90","","1257.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,5-pentanediammonium tetrachlorocobaltate","","- C5 H16 Cl4 Co N2 -","- C5 H16 Cl4 Co N2 -","- C20 H64 Cl16 Co4 N8 -","4","1","BM0020","Criado, J. J.; Jiménez-Sánchez, A.; Cano, F. H.; Sáez-Puche, R.; Rodríguez-Fernández, E.","Preparation and characterization of tetrachlorocobaltates(II) of α,ω-alkylenediammonium. Magnetic and thermal properties. Crystal structure of [NH~3~(CH~2~)~5~NH~3~]CoCl~4~","Acta Crystallographica Section B","1999","55","6","947","952","10.1107/S0108768199005698","","","1.5418","CuKα","","0.0795","0.0633","","0.1779","0.1674","","","","1.011","1.117","1.117","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105553","8.9311","0.0011","17.127","0.002","6.627","0.0008","90","","111.61","0.002","90","","942.4","0.2","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis-ethylenediamine nickel hexavanadium tetradecaoxide","","- C4 H16 N4 Ni O14 V6 -","- C4 H16 N4 Ni O14 V6 -","- C8 H32 N8 Ni2 O28 V12 -","2","0.5","BR0079","Zavalij, Peter Y.; Zhang, Fan; Whittingham, M. Stanley","Crystal structure of layered bis(ethylenediamine)nickel hexavanadate as a new representative of the V~6~O~14~ series","Acta Crystallographica Section B","1999","55","6","953","962","10.1107/S0108768199005467","","","0.71073","MoKα","","","0.06","","","0.0637","","","","","1.29","1.29","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105554","17.862","0.002","17.127","0.002","6.627","0.0008","90","","111.61","0.002","90","","1884.9","0.4","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis-ethylenediamine nickel hexavanadium tetradecaoxide","","- C4 H16 N4 Ni O14 V6 -","- C4 H16 N4 Ni O14 V6 -","- C16 H64 N16 Ni4 O56 V24 -","4","1","BR0079","Zavalij, Peter Y.; Zhang, Fan; Whittingham, M. Stanley","Crystal structure of layered bis(ethylenediamine)nickel hexavanadate as a new representative of the V~6~O~14~ series","Acta Crystallographica Section B","1999","55","6","953","962","10.1107/S0108768199005467","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105555","8.368","0.0007","8.368","0.0007","19.13687","0.00004","90","","90","","120","","1160.5","0.14","18","","18","","","","","","","","","3","P 63/m m c","-P 6c 2c","","","lanthanum molybdenum oxide","","- La Mo2 O5 -","- La Mo2 O5 -","- La12 Mo24 O60 -","12","0.5","BR0083","Hibble, Simon J.; Cooper, Steven P.; Patat, Saban; Hannon, Alex C.","Total neutron diffraction: a route to the correct local structure of disordered LaMo~2~O~5~ and its application to the model compound Zn~2~Mo~3~O~8~","Acta Crystallographica Section B","1999","55","5","683","697","10.1107/S0108768199004103","","neutron","","neutron","","0.056","","","0.048","","","","","","","","","","","","has coordinates","281832","2023-03-13","07:47:31",""
"2105556","5.77322","0.00001","5.77322","0.00001","9.91231","0.00004","90","","90","","120","","286.116","0.0014","18","","18","","","","","","","","","3","P 63 m c","P 6c -2c","186","","zinc molybdate","","- Mo3 O8 Zn2 -","- Mo0.5 O1.33333 Zn0.333333 -","- Mo6 O16 Zn4 -","12","1","BR0083","Hibble, Simon J.; Cooper, Steven P.; Patat, Saban; Hannon, Alex. C.","Total neutron diffraction: a route to the correct local structure of disordered LaMo~2~O~5~ and its application to the model compound Zn~2~Mo~3~O~8~","Acta Crystallographica Section B","1999","55","5","683","697","10.1107/S0108768199004103","","neutron","","neutron","","0.058","","","0.047","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105557","8.5194","0.0002","4.7448","0.0001","10.397","0.0003","90","","90.013","0.006","90","","420.276","0.018","298","","298","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","phosphorus oxynitride","","- N O P -","- N O P -","- N12 O12 P12 -","12","1.5","BR0087","Haines, J.; Chateau, C.; Léger, J. M.; Le Sauze, A.; Diot, N.; Marchand, R.; Hull, S.","Crystal structure of moganite-type phosphorus oxynitride: relationship to other twinned-quartz-based structures","Acta Crystallographica Section B","1999","55","5","677","682","10.1107/S010876819900347X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105559","7.856","0.008","7.732","0.007","7.827","0.007","90","","99.92","0.04","90","","468.3","0.8","296","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cs2 H3 O8 P S -","- Cs2 H3 O8 P S -","- Cs4 H6 O16 P2 S2 -","2","0.5","BS0007","Chisholm, Calum R. I.; Haile, Sossina M.","Structure and thermal behavior of the new superprotonic conductor Cs~2~(HSO~4~)(H~2~PO~4~)","Acta Crystallographica Section B","1999","55","6","937","946","10.1107/S0108768199009921","","","0.7107","MoKα","","0.0399","0.0348","","0.089","","0.0855","","","1.042","","","1.042","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105579","8.771","0.002","13.344","0.005","11.036","0.002","90","","108.314","0.008","90","","1226.2","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-2-thiazolinium indole-2-carboxylate","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","HA0177","Lynch, Daniel E.; Nicholls, Laura J.; Smith, Graham; Byriel, Karl A.; Kennard, Colin H. L.","Molecular co-crystals of 2-aminothiazole derivatives","Acta Crystallographica Section B","1999","55","5","758","766","10.1107/S0108768199003146","","","0.71073","MoKα","","0.0739","0.0357","","","","0.1011","","","","","","1.002","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105580","11.9723","0.0008","12.5938","0.001","15.063","0.002","90","","90","","90","","2271.2","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-amino-2-thiazolinium N-methylpyrrole-2-carboxylate","","- C9 H13 N3 O2 S -","- C9 H13 N3 O2 S -","- C72 H104 N24 O16 S8 -","8","1","HA0177","Lynch, Daniel E.; Nicholls, Laura J.; Smith, Graham; Byriel, Karl A.; Kennard, Colin H. L.","Molecular co-crystals of 2-aminothiazole derivatives","Acta Crystallographica Section B","1999","55","5","758","766","10.1107/S0108768199003146","","","0.71073","MoKα","","0.0854","0.0366","","","","0.1172","","","","","","0.997","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105581","10.182","0.004","11.923","0.002","12.284","0.006","90","","107.23","0.02","90","","1424.4","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Aminobenzothiazolium indole-2-carboxylate","","- C16 H13 N3 O2 S -","- C16 H13 N3 O2 S -","- C64 H52 N12 O8 S4 -","4","1","HA0177","Lynch, Daniel E.; Nicholls, Laura J.; Smith, Graham; Byriel, Karl A.; Kennard, Colin H. L.","Molecular co-crystals of 2-aminothiazole derivatives","Acta Crystallographica Section B","1999","55","5","758","766","10.1107/S0108768199003146","","","0.71073","MoKα","","0.1015","0.0511","","","","0.162","","","","","","0.936","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105582","5.5561","0.0009","19.701","0.003","12.143","0.002","90","","100.263","0.008","90","","1307.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-aminobenzothiazolium N-methylpyrrole-2-carboxylate","","- C13 H13 N3 O2 S -","- C13 H13 N3 O2 S -","- C52 H52 N12 O8 S4 -","4","1","HA0177","Lynch, Daniel E.; Nicholls, Laura J.; Smith, Graham; Byriel, Karl A.; Kennard, Colin H. L.","Molecular co-crystals of 2-aminothiazole derivatives","Acta Crystallographica Section B","1999","55","5","758","766","10.1107/S0108768199003146","","","0.71073","MoKα","","0.0903","0.0381","","","","0.1078","","","","","","0.991","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105583","9.162","0.002","11.121","0.003","12.033","0.002","90","","104.388","0.009","90","","1187.6","0.5","293","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-aminobenzothiazolium thiophene-2-carboxylate","","- C12 H10 N2 O2 S2 -","- C12 H10 N2 O2 S2 -","- C48 H40 N8 O8 S8 -","4","1","HA0177","Lynch, Daniel E.; Nicholls, Laura J.; Smith, Graham; Byriel, Karl A.; Kennard, Colin H. L.","Molecular co-crystals of 2-aminothiazole derivatives","Acta Crystallographica Section B","1999","55","5","758","766","10.1107/S0108768199003146","","","0.71073","MoKα","","0.0801","0.0489","","","","0.156","","","","","","1.051","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105584","6.848","0.003","7.54","0.004","11.111","0.005","90","","106.01","0.005","90","","551.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C5 H6 O S -","- C5 H6 O S -","- C20 H24 O4 S4 -","4","1","HA0185","Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C.","Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents","Acta Crystallographica Section B","1999","55","6","963","974","10.1107/S0108768199003547","","","0.71073","MoKα","","0.0506","0.0433","","","","0.123","","","","","","1.15","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105585","6.641","0.004","7.109","0.004","11.594","0.005","90","","90","","90","","547.4","0.5","100","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H6 O S -","- C5 H6 O S -","- C20 H24 O4 S4 -","4","1","HA0185","Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C.","Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents","Acta Crystallographica Section B","1999","55","6","963","974","10.1107/S0108768199003547","","","0.71073","MoKα","","0.0568","0.0487","","","","0.1425","","","","","","1.07","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105586","7.5941","0.0009","7.8219","0.001","7.9811","0.0009","63.112","0.005","64.66","0.005","89.636","0.005","371.7","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H8 O2 S -","- C7 H8 O2 S -","- C14 H16 O4 S2 -","2","1","HA0185","Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C.","Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents","Acta Crystallographica Section B","1999","55","6","963","974","10.1107/S0108768199003547","","","0.71073","MoKα","","0.0446","0.0321","","","","0.0878","","","","","","1.06","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105587","7.516","0.002","8.332","0.002","9.059","0.002","90","","100.19","0.03","90","","558.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H3 N O S -","- C5 H3 N O S -","- C20 H12 N4 O4 S4 -","4","1","HA0185","Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C.","Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents","Acta Crystallographica Section B","1999","55","6","963","974","10.1107/S0108768199003547","","","0.71073","MoKα","","0.0284","0.0243","","0.0703","0.0651","","","","1.08","1.09","1.09","","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105588","19.513","0.006","8.083","0.002","4.046","0.002","90","","90","","90","","638.1","0.4","223","0.2","223","0.2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C5 H6 O S2 -","- C5 H6 O S2 -","- C20 H24 O4 S8 -","4","1","HA0185","Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C.","Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents","Acta Crystallographica Section B","1999","55","6","963","974","10.1107/S0108768199003547","","","0.71073","MoKα","","0.0432","0.0424","","0.0906","0.0901","","","","1.191","1.21","1.21","","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105589","10.826","0.002","17.065","0.002","19.19","0.003","90","","91.011","0.012","90","","3544.7","1","223","0.2","223","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 O S -","- C9 H12 O S -","- C144 H192 O16 S16 -","16","4","HA0185","Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C.","Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents","Acta Crystallographica Section B","1999","55","6","963","974","10.1107/S0108768199003547","","","0.71073","MoKα","","0.0793","0.0374","","0.1029","0.0935","","","","0.98","1.14","1.14","","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105590","24.527","0.006","6.064","0.001","7.457","0.004","90","","100.1","0.02","90","","1091.9","0.7","164","2","164","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","4,4'-dichlorobenzophenone","4,4'-dichlorobenzophenone","","- C13 H8 Cl2 O -","- C13 H8 Cl2 O -","- C52 H32 Cl8 O4 -","4","0.5","HR0042","Mitkevich, V. V.; Lirtsman, V. G.; Strzhemechny, M. A.; Avdeenko, A. A.; Eremenko, V. V.","Investigation of the structural phase transitions near 190K in 4,4'-dichlorobenzophenone","Acta Crystallographica Section B","1999","55","5","799","806","10.1107/S0108768199005480","","","0.71073","MoKα","","0.0521","0.0399","","0.1449","0.1101","","","","1.194","1.185","1.185","","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105592","13.706","0.003","22.8","0.005","30.674","0.006","90","","97.15","0.03","90","","9511","4","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-tert-butyloxycarbonyl-L-phenylalanyl-L-leucine benzyl ester","","- C27 H36 N2 O5 -","- C27 H36 N2 O5 -","- C378 H504 N28 O70 -","14","7","KA0045","Antolić, S.; Teichert, M.; Sheldrick, G.; Kojić-Prodić, B.; Čudić, M.; Horvat, Š.","Structure and molecular modelling of protected dipeptide fragment (Boc–Phe–Leu–OBzl) of enkephalin","Acta Crystallographica Section B","1999","55","6","975","984","10.1107/S0108768199004656","","","0.71073","MoKα","","0.0569","0.0455","","","","0.1035","","","","","","1.129","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105614","13.667","0.001","16.414","0.002","9.409","0.001","90","","94.54","0.01","90","","2104.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-Methyl-2,4-diphenyl-7-tertiary butyl 3-azabicyclo[3.3.1]nonane","","- C25 H33 N -","- C25 H33 N -","- C100 H132 N4 -","4","1","NA0088","Kumaran, D.; Ponnuswamy, M. N.; Shanmugam, G.; Ponnuswamy, S.; Jeyaraman, R.; Shivakumar, K.; Fun, H.-K.","Molecular structures and conformations of three 3-azabicyclononanes","Acta Crystallographica Section B","1999","55","5","793","798","10.1107/S0108768199005273","","","0.71073","MoKα","","0.094","0.0592","","0.1848","0.1537","","","","0.93","1.076","1.076","","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105615","14.687","0.001","12.931","0.001","18.564","0.001","90","","90","","90","","3525.6","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Acetyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonane","","- C22 H25 N O -","- C22 H25 N O -","- C176 H200 N8 O8 -","8","1","NA0088","Kumaran, D.; Ponnuswamy, M. N.; Shanmugam, G.; Ponnuswamy, S.; Jeyaraman, R.; Shivakumar, K.; Fun, H.-K.","Molecular structures and conformations of three 3-azabicyclononanes","Acta Crystallographica Section B","1999","55","5","793","798","10.1107/S0108768199005273","","","0.71073","MoKα","","0.0783","0.0431","","0.1114","0.0994","","","","0.885","1.035","1.035","","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105616","7.638","0.001","13.188","0.001","18.865","0.002","90","","97.94","0.01","90","","1882.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-Methyl-2,4-diorthomethyl phenyl-9-hydroxy 3-azabicyclo[3.3.1]nonane","","- C23 H29 N O -","- C23 H29 N O -","- C92 H116 N4 O4 -","4","1","NA0088","Kumaran, D.; Ponnuswamy, M. N.; Shanmugam, G.; Ponnuswamy, S.; Jeyaraman, R.; Shivakumar, K.; Fun, H.-K.","Molecular structures and conformations of three 3-azabicyclononanes","Acta Crystallographica Section B","1999","55","5","793","798","10.1107/S0108768199005273","","","0.71073","MoKα","","0.0603","0.0426","","0.135","0.122","","","","1.061","1.207","1.207","","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105617","8.19","0.001","14.463","0.002","18.115","0.003","90","","96.2","0.01","90","","2133.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5-dihydronaphto[1,2-d]-1H,3-methylpyrazole hemihydrochloride","","- C24 H25 Cl N4 -","- C24 H25 Cl N4 -","- C96 H100 Cl4 N16 -","4","1","NA0091","Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone; Fernàndez-Castaño, Cristina","Self-assembly of N<i>H</i>-pyrazoles <i>via</i> intermolecular N—H···N hydrogen bonds","Acta Crystallographica Section B","1999","55","6","985","993","10.1107/S0108768199004966","","","0.71073","MoKα","","0.1537","0.0562","","","","0.1257","","","","","","0.971","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105618","16.409","0.003","7.619","0.001","13.544","0.006","90","","90","","90","","1693.3","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-hydroxy-5-methyl-4-(3'-methylpyrazol-5'-yl)pyrazole","","- C8 H10 N4 O -","- C8 H10 N4 O -","- C64 H80 N32 O8 -","8","1","NA0091","Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone; Fernàndez-Castaño, Cristina","Self-assembly of N<i>H</i>-pyrazoles <i>via</i> intermolecular N—H···N hydrogen bonds","Acta Crystallographica Section B","1999","55","6","985","993","10.1107/S0108768199004966","","","0.71073","MoKα","","0.1142","0.0696","","","","0.1863","","","","","","1.046","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105619","7.196","0.003","14.125","0.002","10.862","0.002","90","","97.34","0.03","90","","1095","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","E,2-(4-cyanophenylhydrazono)-3-oxobutanenitrile","","- C11 H8 N4 O -","- C11 H8 N4 O -","- C44 H32 N16 O4 -","4","1","NA0097","Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone; Vaughan, Keith; Jollimore, Jason V.","Interplay of hydrogen bonding and other molecular interactions in determining the crystal packing of a series of <i>anti</i>-β-ketoarylhydrazones","Acta Crystallographica Section B","1999","55","6","994","1004","10.1107/S0108768199008435","","","0.71073","MoKα","","0.1536","0.0626","","","","0.169","","","","","","0.945","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105620","7.052","0.002","13.211","0.002","11.996","0.002","90","","104.96","0.02","90","","1079.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","E,2-(4-methylphenylhydrazono)-3-oxobutanenitrile","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","NA0097","Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone; Vaughan, Keith; Jollimore, Jason V.","Interplay of hydrogen bonding and other molecular interactions in determining the crystal packing of a series of <i>anti</i>-β-ketoarylhydrazones","Acta Crystallographica Section B","1999","55","6","994","1004","10.1107/S0108768199008435","","","0.71073","MoKα","","0.0694","0.0451","","","","0.14","","","","","","1.057","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105621","8.638","0.003","10.841","0.002","12.208","0.002","90","","94.69","0.02","90","","1139.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","E,2-(4-acetylphenylhydrazono)-3-oxobutanenitrile","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","1","NA0097","Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone; Vaughan, Keith; Jollimore, Jason V.","Interplay of hydrogen bonding and other molecular interactions in determining the crystal packing of a series of <i>anti</i>-β-ketoarylhydrazones","Acta Crystallographica Section B","1999","55","6","994","1004","10.1107/S0108768199008435","","","0.71073","MoKα","","0.0941","0.0532","","","","0.1548","","","","","","1.046","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105622","15.236","0.002","6.618","0.001","11.379","0.001","90","","90","","90","","1147.4","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","E,2-(2-methylphenylhydrazono)-3-oxobutanenitrile","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","0.5","NA0097","Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone; Vaughan, Keith; Jollimore, Jason V.","Interplay of hydrogen bonding and other molecular interactions in determining the crystal packing of a series of <i>anti</i>-β-ketoarylhydrazones","Acta Crystallographica Section B","1999","55","6","994","1004","10.1107/S0108768199008435","","","0.71073","MoKα","","0.0896","0.0501","","","","0.1458","","","","","","1.025","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105623","6.878","0.002","8.241","0.001","11.395","0.001","105.21","0.01","96.62","0.02","102.92","0.02","597","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","E,2-(2-acetylphenylhydrazono)-3-oxobutanenitrile","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C24 H22 N6 O4 -","2","1","NA0097","Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone; Vaughan, Keith; Jollimore, Jason V.","Interplay of hydrogen bonding and other molecular interactions in determining the crystal packing of a series of <i>anti</i>-β-ketoarylhydrazones","Acta Crystallographica Section B","1999","55","6","994","1004","10.1107/S0108768199008435","","","0.71073","MoKα","","0.0743","0.0487","","","","0.1495","","","","","","1.065","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105624","7.184","0.001","19.491","0.002","8.084","0.001","90","","109.27","0.01","90","","1068.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","E, 2-(2-nitrophenylhydrazono)-3-oxobutanenitrile","","- C10 H8 N4 O3 -","- C10 H8 N4 O3 -","- C40 H32 N16 O12 -","4","1","NA0097","Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone; Vaughan, Keith; Jollimore, Jason V.","Interplay of hydrogen bonding and other molecular interactions in determining the crystal packing of a series of <i>anti</i>-β-ketoarylhydrazones","Acta Crystallographica Section B","1999","55","6","994","1004","10.1107/S0108768199008435","","","0.71073","MoKα","","0.0561","0.0401","","","","0.1173","","","","","","1.085","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105625","12.684","0.007","11.74","0.002","11.024","0.003","90","","111.4","0.04","90","","1528.4","1.1","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ph-TEMPO","4-benzylideneamino-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C16 H23 N2 O -","- C16 H23 N2 O -","- C64 H92 N8 O4 -","4","1","OA0021","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Takada, Kiwamu; Kan-nari, Eiji; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. II. 4-(Benzylideneamino)-TEMPO and related compounds","Acta Crystallographica Section B","1999","55","6","1057","1067","10.1107/S0108768199007326","","","0.71073","MoKα","","0.0987","0.0498","","","","0.147","","","","","","1.012","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105626","12.5774","0.0014","11.6228","0.0016","10.8229","0.0017","90","","110.853","0.009","90","","1478.5","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ph-TEMPO","4-benzylideneamino-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C16 H23 N2 O -","- C16 H23 N2 O -","- C64 H92 N8 O4 -","4","1","OA0021","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Takada, Kiwamu; Kan-nari, Eiji; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. II. 4-(Benzylideneamino)-TEMPO and related compounds","Acta Crystallographica Section B","1999","55","6","1057","1067","10.1107/S0108768199007326","","","0.71073","MoKα","","0.049","0.0358","","","","0.0991","","","","","","1.016","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105627","13.5737","0.0018","11.8796","0.0018","11.1628","0.0016","90","","98.76","0.011","90","","1779","0.4","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MeS-Ph-TEMPO","4-(4-methylthiophenylmethyleneamino)-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C17 H25 N2 O S -","- C17 H25 N2 O S -","- C68 H100 N8 O4 S4 -","4","1","OA0021","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Takada, Kiwamu; Kan-nari, Eiji; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. II. 4-(Benzylideneamino)-TEMPO and related compounds","Acta Crystallographica Section B","1999","55","6","1057","1067","10.1107/S0108768199007326","","","0.71073","MoKα","","0.0609","0.0401","","","","0.1217","","","","","","1.015","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105628","12.425","0.005","11.598","0.004","11.038","0.005","90","","109.53","0.04","90","","1499.1","1.1","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Py-TEMPO","4-(3-pyridylmethyleneamino)-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C15 H22 N3 O -","- C15 H22 N3 O -","- C60 H88 N12 O4 -","4","1","OA0021","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Takada, Kiwamu; Kan-nari, Eiji; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. II. 4-(Benzylideneamino)-TEMPO and related compounds","Acta Crystallographica Section B","1999","55","6","1057","1067","10.1107/S0108768199007326","","","0.71073","MoKα","","0.0955","0.0488","","","","0.1347","","","","","","0.981","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105629","12.49","0.003","11.597","0.005","11.28","0.006","90","","97.12","0.03","90","","1621.3","1.2","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Me-Ph-TEMPO","4-(4-methylphenylmethyleneamino)-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C17 H25 N2 O -","- C17 H25 N2 O -","- C68 H100 N8 O4 -","4","1","OA0021","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Takada, Kiwamu; Kan-nari, Eiji; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. II. 4-(Benzylideneamino)-TEMPO and related compounds","Acta Crystallographica Section B","1999","55","6","1057","1067","10.1107/S0108768199007326","","","0.71073","MoKα","","0.0745","0.0496","","","","0.1617","","","","","","1.036","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105630","12.4422","0.0019","11.495","0.003","11.094","0.002","90","","97.381","0.013","90","","1573.6","0.6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Me-Ph-TEMPO","4-(4-methylphenylmethyleneamino)-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C17 H25 N2 O -","- C17 H25 N2 O -","- C68 H100 N8 O4 -","4","1","OA0021","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Takada, Kiwamu; Kan-nari, Eiji; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. II. 4-(Benzylideneamino)-TEMPO and related compounds","Acta Crystallographica Section B","1999","55","6","1057","1067","10.1107/S0108768199007326","","","0.71073","MoKα","","0.0689","0.0551","","","","0.1653","","","","","","1.13","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105631","20.0837","0.0019","5.6969","0.0007","15.106","0.002","90","","90","","90","","1728.4","0.4","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","Naph-TEMPO","4-(2-naphthylmethyleneamino)-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C20 H25 N2 O -","- C20 H25 N2 O -","- C80 H100 N8 O4 -","4","1","OA0021","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Takada, Kiwamu; Kan-nari, Eiji; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. II. 4-(Benzylideneamino)-TEMPO and related compounds","Acta Crystallographica Section B","1999","55","6","1057","1067","10.1107/S0108768199007326","","","0.71073","MoKα","","0.0772","0.0433","","","","0.1101","","","","","","1.072","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105632","30.565","0.009","5.993","0.002","22.032","0.005","90","","90","","90","","4036","2","297","","297","","","","","","","","","4","P c a 21","P 2c -2ac","29","PhO-Ph-TEMPO","4-(4-phenoxyphenylmethyleneamino)-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C22 H27 N2 O2 -","- C22 H27 N2 O2 -","- C176 H216 N16 O16 -","8","2","OA0021","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Takada, Kiwamu; Kan-nari, Eiji; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. II. 4-(Benzylideneamino)-TEMPO and related compounds","Acta Crystallographica Section B","1999","55","6","1057","1067","10.1107/S0108768199007326","","","0.71073","MoKα","","0.155","0.0588","","","","0.1242","","","","","","0.966","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105633","11.1835","0.0018","15.487","0.002","11.566","0.0018","90","","114.539","0.011","90","","1822.3","0.5","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-MeSO2-Ph-TEMPO","4-(4-mesylphenylmethyleneamino)-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C17 H25 N2 O3 S -","- C17 H25 N2 O3 S -","- C68 H100 N8 O12 S4 -","4","1","OA0021","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Takada, Kiwamu; Kan-nari, Eiji; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. II. 4-(Benzylideneamino)-TEMPO and related compounds","Acta Crystallographica Section B","1999","55","6","1057","1067","10.1107/S0108768199007326","","","0.71073","MoKα","","0.0581","0.0409","","","","0.1235","","","","","","1.007","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105634","12.3717","0.0007","5.6744","0.0003","7.4805","0.0004","90","","107.816","0.002","90","","499.96","0.05","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Pentathulium dirhenium dodecaoxide","","- O12 Re2 Tm5 -","- O12 Re2 Tm5 -","- O24 Re4 Tm10 -","2","0.25","OS0018","Ehrenberg, H.; Hartmann, T.; Wltschek, G.; Fuess, H.; Morgenroth, W.; Krane, H.-G.","The crystal structure of Tm~5~Re~2~O~12~","Acta Crystallographica Section B","1999","55","6","849","852","10.1107/S0108768199005194","","","0.4275","synchrotron","","0.0849","0.0682","","","","0.1518","","","","","","1.246","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105635","5.985","0.003","9.291","0.005","10.931","0.006","90","","100.32","0.03","90","","598","0.6","295","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl2 H8 Ni O4 -","- Cl2 H8 Ni O4 -","- Cl8 H32 Ni4 O16 -","4","1","OS0021","Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J.","Charge density in NiCl~2~.4H~2~O at 295 and 30K","Acta Crystallographica Section B","1999","55","6","830","840","10.1107/S0108768199005741","","","0.71073","MoKα","","","0.0284","","","0.0341","","","","","","","1.312","","","","has coordinates","206183","2020-10-21","18:00:00",""
"2105636","6.006","0.003","9.338","0.005","10.986","0.005","90","","100.45","0.03","90","","605.9","0.5","295","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl2 H8 Ni O4 -","- Cl2 H8 Ni O4 -","- Cl8 H32 Ni4 O16 -","4","1","OS0021","Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J.","Charge density in NiCl~2~.4H~2~O at 295 and 30K","Acta Crystallographica Section B","1999","55","6","830","840","10.1107/S0108768199005741","","neutron","0.8405","neutron","","","0.18","","","0.17","","","","","","","2.34","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105637","5.961","0.003","9.273","0.005","10.891","0.007","90","","100.02","0.05","90","","592.8","0.6","30","1","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl2 H8 Ni O4 -","- Cl2 H8 Ni O4 -","- Cl8 H32 Ni4 O16 -","4","1","OS0021","Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J.","Charge density in NiCl~2~.4H~2~O at 295 and 30K","Acta Crystallographica Section B","1999","55","6","830","840","10.1107/S0108768199005741","","","0.71073","MoKα","","","0.0215","","","0.0327","","","","","","","1.421","","","","has coordinates","206183","2020-10-21","18:00:00",""
"2105638","5.968","0.002","9.283","0.003","10.897","0.003","90","","100.08","0.02","90","","594.4","0.3","30","1","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl2 H8 Ni O4 -","- Cl2 H8 Ni O4 -","- Cl8 H32 Ni4 O16 -","4","1","OS0021","Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J.","Charge density in NiCl~2~.4H~2~O at 295 and 30K","Acta Crystallographica Section B","1999","55","6","830","840","10.1107/S0108768199005741","","neutron","0.8405","neutron","","","0.126","","","0.142","","","","","","","2.99","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105639","8.5313","0.0002","11.4382","0.0002","13.307","0.0001","90","","90.038","0.001","90","","1298.53","0.04","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dimethylammonium tetrachlorocobaltate(II)","","- C4 H16 Cl4 Co N2 -","- C4 H16 Cl4 Co N2 -","- C16 H64 Cl16 Co4 N8 -","4","1","OS0024","Mahmoudkhani, Amir H.; Langer, Vratislav","Structure of [(CH~3~)~2~NH~2~]~2~CoCl~4~ at elevated temperatures","Acta Crystallographica Section B","1999","55","5","752","757","10.1107/S0108768199004012","","","0.71073","MoKα","","0.053","0.0336","","","","0.0816","","","","","","1.003","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105640","8.5513","0.0005","11.4527","0.0007","13.3364","0.0008","90","","90.01","0.001","90","","1306.11","0.14","320","2","320","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dimethylammonium tetrachlorocobaltate(II)","","- C4 H16 Cl4 Co N2 -","- C4 H16 Cl4 Co N2 -","- C16 H64 Cl16 Co4 N8 -","4","1","OS0024","Mahmoudkhani, Amir H.; Langer, Vratislav","Structure of [(CH~3~)~2~NH~2~]~2~CoCl~4~ at elevated temperatures","Acta Crystallographica Section B","1999","55","5","752","757","10.1107/S0108768199004012","","","0.71073","MoKα","","0.0617","0.0341","","","","0.0841","","","","","","0.989","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105641","8.564","0.0002","11.4573","0.0003","13.359","0.0003","90","","90.037","0.001","90","","1310.79","0.05","343","2","343","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dimethylammonium tetrachlorocobaltate(II)","","- C4 H16 Cl4 Co N2 -","- C4 H16 Cl4 Co N2 -","- C16 H64 Cl16 Co4 N8 -","4","1","OS0024","Mahmoudkhani, Amir H.; Langer, Vratislav","Structure of [(CH~3~)~2~NH~2~]~2~CoCl~4~ at elevated temperatures","Acta Crystallographica Section B","1999","55","5","752","757","10.1107/S0108768199004012","","","0.71073","MoKα","","0.0677","0.0357","","","","0.0846","","","","","","0.998","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105642","8.5775","0.0005","11.4679","0.0006","13.3855","0.0006","90","","90.021","0.001","90","","1316.68","0.12","366","2","366","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dimethylammonium Tetrachlorocobaltate(II)","","- C4 H16 Cl4 Co N2 -","- C4 H16 Cl4 Co N2 -","- C16 H64 Cl16 Co4 N8 -","4","1","OS0024","Mahmoudkhani, Amir H.; Langer, Vratislav","Structure of [(CH~3~)~2~NH~2~]~2~CoCl~4~ at elevated temperatures","Acta Crystallographica Section B","1999","55","5","752","757","10.1107/S0108768199004012","","","0.71073","MoKα","","0.0653","0.0371","","","","0.0922","","","","","","1.006","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105643","13.218","0.001","6.65","0.0009","10.761","0.001","90","0.003","90","0.003","90","0.003","945.89","0.17","9.6","0.3","9.6","0.3","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- As O5 Rb Ti -","- As O5 Rb Ti -","- As8 O40 Rb8 Ti8 -","8","2","OS0025","Almgren, Jenni; Streltsov, Victor A.; Sobolev, Alexander N.; Figgis, Brian N.; Albertsson, Jörgen","Structure of and electron density in RbTiOAsO~4~ at 9.6K","Acta Crystallographica Section B","1999","55","5","712","720","10.1107/S010876819900395X","","","0.71069","MoKα","","0.034","0.032","","0.026","0.026","","","","4.596","","","4.56","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105644","13.261","0.002","6.6791","0.0008","10.769","0.001","90","0.01","90","0.01","90","0.01","953.8","0.2","295","2","295","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- As O5 Rb Ti -","- As O5 Rb Ti -","- As8 O40 Rb8 Ti8 -","8","2","OS0025","Almgren, Jenni; Streltsov, Victor A.; Sobolev, Alexander N.; Figgis, Brian N.; Albertsson, Jörgen","Structure of and electron density in RbTiOAsO~4~ at 9.6K","Acta Crystallographica Section B","1999","55","5","712","720","10.1107/S010876819900395X","","","0.71069","MoKα","","0.064","0.055","","0.043","0.042","","","","4.763","","","4.845","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105645","7.275","0.002","9.097","0.003","10.507","0.003","90","","90","","90","","695.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Glycyl-L-serine","","- C5 H10 N2 O4 -","- C5 H10 N2 O4 -","- C20 H40 N8 O16 -","4","1","OS0029","Görbitz, Carl Henrik","What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal","Acta Crystallographica Section B","1999","55","6","1090","1098","10.1107/S0108768199008721","","","0.71073","MoKα","","0.0471","0.0425","","","","0.1194","","","","","","1.133","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105646","7.275","0.002","9.097","0.003","10.507","0.003","90","","90","","90","","695.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Glycyl-L-serine","","- C5 H10 N2 O4 -","- C5 H10 N2 O4 -","- C20 H40 N8 O16 -","4","1","OS0029","Görbitz, Carl Henrik","What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal","Acta Crystallographica Section B","1999","55","6","1090","1098","10.1107/S0108768199008721","","","0.71073","MoKα","","0.0364","0.0315","","","","0.0848","","","","","","1.19","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105647","7.275","0.002","9.097","0.003","10.507","0.003","90","","90","","90","","695.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Glycyl-L-serine","","- C5 H10 N2 O4 -","- C5 H10 N2 O4 -","- C20 H40 N8 O16 -","4","1","OS0029","Görbitz, Carl Henrik","What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal","Acta Crystallographica Section B","1999","55","6","1090","1098","10.1107/S0108768199008721","","","0.71073","MoKα","","0.087","0.0618","","","","0.1446","","","","","","1.31","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105648","7.275","0.002","9.097","0.003","10.507","0.003","90","","90","","90","","695.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Glycyl-L-serine","","- C5 H10 N2 O4 -","- C5 H10 N2 O4 -","- C20 H40 N8 O16 -","4","1","OS0029","Görbitz, Carl Henrik","What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal","Acta Crystallographica Section B","1999","55","6","1090","1098","10.1107/S0108768199008721","","","0.71073","MoKα","","0.0487","0.035","","","","0.0878","","","","","","1.069","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105649","7.275","0.002","9.097","0.003","10.507","0.003","90","","90","","90","","695.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Glycyl-L-serine","","- C5 H10 N2 O4 -","- C5 H10 N2 O4 -","- C20 H40 N8 O16 -","4","1","OS0029","Görbitz, Carl Henrik","What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal","Acta Crystallographica Section B","1999","55","6","1090","1098","10.1107/S0108768199008721","","","0.71073","MoKα","","0.0798","0.0533","","","","0.115","","","","","","1.212","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105650","7.275","0.002","9.097","0.003","10.507","0.003","90","","90","","90","","695.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Glycyl-L-serine","","- C5 H10 N2 O4 -","- C5 H10 N2 O4 -","- C20 H40 N8 O16 -","4","1","OS0029","Görbitz, Carl Henrik","What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal","Acta Crystallographica Section B","1999","55","6","1090","1098","10.1107/S0108768199008721","","","0.71073","MoKα","","0.0802","0.0539","","","","0.1184","","","","","","1.213","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105651","7.275","0.002","9.097","0.003","10.507","0.003","90","","90","","90","","695.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Glycyl-L-serine","","- C5 H10 N2 O4 -","- C5 H10 N2 O4 -","- C20 H40 N8 O16 -","4","1","OS0029","Görbitz, Carl Henrik","What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal","Acta Crystallographica Section B","1999","55","6","1090","1098","10.1107/S0108768199008721","","","0.71073","MoKα","","0.0328","0.0277","","","","0.0736","","","","","","1.161","","","","has coordinates","301802","2025-08-19","10:18:51",""
"2105669","11.306","0.001","10.025","0.001","9.254","0.001","90","","90","","90","","1048.87","0.18","293","","","","","","","","","","","4","Cmca(00\g)s00","","","","","","- Eu0.976 Mo7.1 O14 V1.13 -","- Eu0.976 Mo7.1 O14 V1.132 -","- Eu3.904 Mo28.4 O56 V4.528 -","4","","LC0010","Leligny, H.; Grebille, D.; Roussel, P.; Labbé, Ph.; Hervieu, M.; Raveau, B.; Tortelier, J.; Gougeon, P.","Cluster configurations in modulated EuV~<i>x~</i>Mo~8{±~<i>y</i>}O~14~ crystals","Acta Crystallographica Section B","1999","55","4","467","483","10.1107/S0108768199000452","","","0.71073","MoKα","","","0.0411","","","0.0481","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"2105670","11.325","0.001","10.024","0.001","9.24","0.001","90","","90","","90","","1048.94","0.18","293","","","","","","","","","","","4","Cmca(00\g)s00","","","","","","- Eu0.986 Mo7.3 O14 V1.1 -","- Eu0.986 Mo7.3 O14 V1.096 -","- Eu3.944 Mo29.2 O56 V4.384 -","4","","LC0010","Leligny, H.; Grebille, D.; Roussel, P.; Labbé, Ph.; Hervieu, M.; Raveau, B.; Tortelier, J.; Gougeon, P.","Cluster configurations in modulated EuV~<i>x~</i>Mo~8{±~<i>y</i>}O~14~ crystals","Acta Crystallographica Section B","1999","55","4","467","483","10.1107/S0108768199000452","","","0.71073","MoKα","","","0.0411","","","0.0449","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"2105671","11.315","0.001","10.035","0.001","9.265","0.001","90","","90","","90","","1052","0.18","293","","","","","","","","","","","3","Cmca(00\g)s00","","","","","","- Eu Mo7.96 O14 -","- Eu Mo7.956 O14 -","- Eu4 Mo31.824 O56 -","4","","LC0010","Leligny, H.; Grebille, D.; Roussel, P.; Labbé, Ph.; Hervieu, M.; Raveau, B.; Tortelier, J.; Gougeon, P.","Cluster configurations in modulated EuV~<i>x~</i>Mo~8{±~<i>y</i>}O~14~ crystals","Acta Crystallographica Section B","1999","55","4","467","483","10.1107/S0108768199000452","","","0.71073","MoKα","","","0.0478","","","0.0553","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"2105672","9.9073","0.0003","9.9073","","9.8703","0.0004","90","","90","","90.642","0.004","968.75","0.05","293","","293","","","","","","","","","3","P m n 21","P 2ac -2","","","","","- Cu8 Ge S6 -","- Cu8 Ge S6 -","- Cu32 Ge4 S24 -","4","1","OH0067","Onoda, Mitsuko; Chen, Xue-An; Kato, Katsuo; Sato, Akira; Wada, Hiroaki","Structure refinement of Cu~8~GeS~6~ using X-ray diffraction data from a multiple-twinned crystal","Acta Crystallographica Section B","1999","55","5","721","725","10.1107/S0108768199004541","","","0.7093","MoKα","","","0.087","","","0.094","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105673","9.789","0.003","7.541","0.003","13.418","0.003","90","","90","","90","","990.5","0.5","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cl4 Cs2 Hg -","- Cl4 Cs2 Hg -","- Cl16 Cs8 Hg4 -","4","0.5","SE0279","Bagautdinov, Bagautdin; Pilz, Katrin; Ludecke, Jens; van Smaalen, Sander","Modulated structures of Cs~2~HgCl~4~: the 5<i>a</i> superstructure at 185 K and the 3<i>c</i> superstructure at 176 K","Acta Crystallographica Section B","1999","55","6","886","895","10.1107/S0108768199008071","","","0.71073","multicolumn","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2105674","9.7729","0.0001","7.5276","0.0004","13.3727","0.0007","90","","90","","90","","983.78","0.07","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cl4 Cs2 Hg -","- Cl4 Cs2 Hg -","- Cl16 Cs8 Hg4 -","4","0.5","SE0279","Bagautdinov, Bagautdin; Pilz, Katrin; Ludecke, Jens; van Smaalen, Sander","Modulated structures of Cs~2~HgCl~4~: the 5<i>a</i> superstructure at 185 K and the 3<i>c</i> superstructure at 176 K","Acta Crystallographica Section B","1999","55","6","886","895","10.1107/S0108768199008071","","","0.7","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2105675","8.006","0.003","5.482","0.003","19.444","0.008","90","","110.46","0.03","90","","799.5","0.6","20","1","8.4","0.4","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","1","SH0126","Herbstein, Frank H.; Iversen, Bo Brummerstedt; Kapon, Moshe; Larsen, Finn Krebs; Madsen, Georg Kent Hellerup; Reisner, George M.","X-ray and neutron diffraction study of benzoylacetone in the temperature range 8–300 K: comparison with other <i>cis</i>-enol molecules","Acta Crystallographica Section B","1999","55","5","767","787","10.1107/S0108768199004279","","","0.5616","AgKα","","","0.0256","","","0.0231","","","","","0.9","0.9","","","","","has coordinates,has Fobs","281832","2023-03-13","07:49:04",""
"2105676","8.027","0.007","5.483","0.002","19.478","0.013","90","","110.42","0.05","90","","803.4","1","20","1","20","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","1","SH0126","Herbstein, Frank H.; Iversen, Bo Brummerstedt; Kapon, Moshe; Larsen, Finn Krebs; Madsen, Georg Kent Hellerup; Reisner, George M.","X-ray and neutron diffraction study of benzoylacetone in the temperature range 8–300 K: comparison with other <i>cis</i>-enol molecules","Acta Crystallographica Section B","1999","55","5","767","787","10.1107/S0108768199004279","","neutron","1.012","neutron","","","0.0516","","","0.05","","","","","2.25","2.25","","","","","has coordinates,has Fobs","281832","2023-03-13","07:50:12",""
"2105677","9.3882","0.0009","4.8452","0.0004","9.0119","0.0007","90","","94.33","0.005","90","","408.76","0.06","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","lithium chloroacetate","chloroacetic acid, lithium salt","","- C2 H2 Cl Li O2 -","- C2 Cl Li O2 -","- C8 Cl4 Li4 O8 -","4","1","HR0041","Ehrenberg, H.; Hasse, B.; Schwarz, K.; Epple, M.","Structure determination of lithium chloroacetate, lithium bromoacetate and lithium iodoacetate by powder diffraction","Acta Crystallographica Section B","1999","55","4","517","524","10.1107/S0108768199003614","","","1.2841","synchrotron","","","","","","","","","","2.24","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105678","9.7165","0.0011","4.861","0.0006","9.0228","0.0011","90","","93.946","0.005","90","","425.15","0.09","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","lithium bromoacetat","bromoacetic acid, lithium salt","","- C2 H2 Br Li O2 -","- C2 Br Li O2 -","- C8 Br4 Li4 O8 -","4","1","HR0041","Ehrenberg, H.; Hasse, B.; Schwarz, K.; Epple, M.","Structure determination of lithium chloroacetate, lithium bromoacetate and lithium iodoacetate by powder diffraction","Acta Crystallographica Section B","1999","55","4","517","524","10.1107/S0108768199003614","","","1.2841","synchrotron","","","","","","","","","","2.24","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105679","10.1812","0.001","4.8922","0.0008","9.0468","0.001","90","","93.251","0.005","90","","449.88","0.1","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","lithium iodoacetate","iodoacetic acid, lithium salt","","- C2 H2 I Li O2 -","- C2 I Li O2 -","- C8 I4 Li4 O8 -","4","1","HR0041","Ehrenberg, H.; Hasse, B.; Schwarz, K.; Epple, M.","Structure determination of lithium chloroacetate, lithium bromoacetate and lithium iodoacetate by powder diffraction","Acta Crystallographica Section B","1999","55","4","517","524","10.1107/S0108768199003614","","","1.2006","synchrotron","","","","","","","","","","2.03","","","","","","","has coordinates","190398","2020-10-21","18:00:00",""
"2105681","5.15463","0.00005","5.15463","0.00005","5.15463","0.00005","90","","90","","90","","136.96","0.002","293","","293","","","","","","","","","3","F m -3 m","-F 4 2 3","225","Yttria-stabilized cubic zirconia","Yttrium Zirconium Oxide","","- O1.879 Y0.242 Zr0.758 -","- O14 Y Zr8 -","- O56 Y4 Zr32 -","4","0.0208333","OH0066","Ishizawa, N.; Matsushima, Y.; Hayashi, M.; Ueki, M.","Synchrotron radiation study of yttria-stabilized zirconia, Zr~0.758~Y~0.242~O~1.879~","Acta Crystallographica Section B","1999","55","5","726","735","10.1107/S0108768199005108","","","0.7502","Synchrotronradiations","","0.005","0.005","","0.009","0.009","","","","6.184","6.184","6.184","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105682","5.15463","0.00005","5.15463","0.00005","5.15463","0.00005","90","","90","","90","","136.96","0.002","293","","293","","","","","","","","","3","F m -3 m","-F 4 2 3","225","Yttria-stabilized cubic zirconia","Yttrium Zirconium Oxide","","- O1.879 Y0.242 Zr0.758 -","- O14 Y Zr8 -","- O56 Y4 Zr32 -","4","0.0208333","OH0066","Ishizawa, N.; Matsushima, Y.; Hayashi, M.; Ueki, M.","Synchrotron radiation study of yttria-stabilized zirconia, Zr~0.758~Y~0.242~O~1.879~","Acta Crystallographica Section B","1999","55","5","726","735","10.1107/S0108768199005108","","","0.7281","Synchrotronradiation","","0.009","0.009","","0.013","0.013","","","","5.876","5.876","5.876","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2107334","5.15463","","5.15463","","5.15463","","90","","90","","90","","136.96","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Zr0.758 Y0.242 O1.879","","- O1.7096 Y0.242 Zr0.7576 -","- O1.7096 Y0.242 Zr0.7576 -","- O6.8384 Y0.968 Zr3.0304 -","4","0.0208333","","Ishizawa, N.; Hayashi, M.; Matsushima, Y.; Ueki, M.","Synchrotron radiation study of yttria-stabilized zirconia, Zr0.758 Y0.242 O1.879","Acta Crystallographica B (39,1983-)","1999","55","","726","735","","","","","","","","","","","","","","","","","","","","","","has coordinates","172770","2020-10-21","18:00:00",""
"2107359","17.779","","18.015","","3.9209","","90","","90","","90","","1255.82","","","","","","","","","","","","","4","C m 2 m","C -2 -2","38","","Pb3.65 K2.35 (Nb5 O15)","","- K2.35 Nb5 O15 Pb3.65 -","- K2.35 Nb5 O15 Pb3.65 -","- K9.4 Nb20 O60 Pb14.6 -","4","0.5","","Sciau, P.; Calvarin, G.; Ravez, J.","Structures des phases paraelectriques et ferroelectriques de Pb2 K Nb5 O15","Acta Crystallographica B (39,1983-)","1999","55","","459","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2107401","7.0445","","6.9661","","9.8699","","90","","90","","90","","484.343","","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- Cu8 Ge S6 -","- Cu8 Ge S6 -","- Cu16 Ge2 S12 -","2","0.5","","Onoda, M.; Sato, A.; Chen, X.-A.; Wada, H.; Kato, K.","Structure refinement of Cu8 GeS 6 using x-ray diffraction data from a multiple-twinned crystal","Acta Crystallographica B (39,1983-)","1999","55","","721","725","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2300689","10.9995","0.001","10.9995","0.001","12.698","0.001","90","","90","","120","","1330.5","0.2","298","","298","","","","","","","","","3","P 63","P 6c","173","","","","- Al63.643 Cr10 Cu18.381 -","- Al63.6433 Cr10 Cu18.3807 -","- Al63.6433 Cr10 Cu18.3807 -","1","0.166667","","Samuha, Shmuel; Tamari, Rimon; Grushko, Benjamin; Meshi, Louisa","Structure solution of the Al~69.2~Cu~20~Cr~10.8~ {πhi} phase","Journal of Applied Crystallography","2022","55","1","74","79","10.1107/S1600576721011961","powder diffraction","","","X-rayCuKα","","","","","","","","","6.6258","","","","","","","","has coordinates,has Fobs","272818","2022-02-06","04:37:38",""
"2300690","200","","3.675","","100","","90","","90","","90","","73500","","295","","295","","","","","","","","","4","P 1","P 1","1","nanocrystalline calcium silicate hydrate","","","- Ca2.86 H7.67 O10.92 Si2.2 -","- Ca2.86 O10.92 Si2.2 -","- Ca22.88 O87.36 Si17.6 -","8","8","","Mesecke, Karsten; Warr, Laurence N.; Malorny, Winfried","Structure modeling and quantitative X-ray diffraction of C-(A)-S-H","Journal of Applied Crystallography","2022","55","1","","","10.1107/S1600576721012668","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","272218","2022-01-25","02:53:46",""
"2300692","27.6254","0.0009","12.7853","0.0004","23.5496","0.0008","90","","98.4791","0.0011","90","","8226.8","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H93 F21 N18 O32 Pr4 -","- C42 H93 F21 N18 O32 Pr4 -","- C168 H372 F84 N72 O128 Pr16 -","4","0.5","XX5001","Tsymbarenko, Dmitry; Grebenyuk, Dimitry; Burlakova, Maria; Zobel, Mirijam","Quick and robust PDF data acquisition using a laboratory single-crystal X-ray diffractometer for study of polynuclear lanthanide complexes in solid form and in solution","Journal of Applied Crystallography","2022","55","4","890","900","10.1107/S1600576722005878","","","0.71073","MoKα","","0.0564","0.0502","","","0.1315","0.1376","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","277708","2022-09-07","10:02:50",""
"2300693","5.53","0.0004","11.9606","0.0015","5.535","0.0006","90","","104.508","0.003","90","","354.42","0.06","2","0.3","2","0.3","","","","","","","synthesized by authors, see text","3","C 1 2/m 1","-C 2y","12","","","","- C4 Co Sc3 -","- C4 Co Sc3 -","- C16 Co4 Sc12 -","4","0.5","IU5026","Fischer, Andreas; Langmann, Jan; Vöst, Marcel; Eickerling, Georg; Scherer, Wolfgang","HTD2: a single-crystal X-ray diffractometer for combined high-pressure/low-temperature experiments at laboratory scale","Journal of Applied Crystallography","2022","55","5","","","10.1107/S160057672200766X","","","0.56089","AgKα","","0.0583","0.0583","","","0.1427","0.1427","","","","2.26","2.26","2.26","","","","has coordinates,has Fobs","278264","2022-09-29","02:07:29",""
"2300694","5.5124","0.0004","11.9341","0.0014","5.5167","0.0006","90","","104.413","0.003","90","","351.5","0.06","6.7","0.1","6.7","0.1","","","","","","","synthesized by authors, see text","3","C 1 2/m 1","-C 2y","12","","","","- C4 Co Sc3 -","- C4 Co Sc3 -","- C16 Co4 Sc12 -","4","0.5","IU5026","Fischer, Andreas; Langmann, Jan; Vöst, Marcel; Eickerling, Georg; Scherer, Wolfgang","HTD2: a single-crystal X-ray diffractometer for combined high-pressure/low-temperature experiments at laboratory scale","Journal of Applied Crystallography","2022","55","5","","","10.1107/S160057672200766X","","","0.56089","AgKα","","0.0615","0.0615","","","0.1339","0.1339","","","","3.33","3.33","3.33","","","","has coordinates,has Fobs","278264","2022-09-29","02:07:29",""
"2300705","5.3418","0.0006","9.1166","0.0015","14.697","0.002","90","","93.91","0.02","90","","714.06","0.17","314","1","314","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- H8 Mg6 O18 Si4 -","- H8 Mg6 O18 Si4 -","- H16 Mg12 O36 Si8 -","2","0.5","","Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor","Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders","Journal of Applied Crystallography","2022","55","3","484","502","10.1107/S1600576722003594","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","285766","2023-08-15","07:58:29",""
"2300706","5.3444","0.0006","9.1074","0.0014","14.7086","0.0011","90","","94.18","0.02","90","","714.02","0.15","314","1","314","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H8 Mg4 Ni2 O18 Si4 -","- H8 Mg4.36 Ni1.64 O18 Si4 -","- H16 Mg8.72 Ni3.28 O36 Si8 -","2","0.5","","Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor","Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders","Journal of Applied Crystallography","2022","55","3","484","502","10.1107/S1600576722003594","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","285767","2023-08-15","08:03:34",""
"2300707","5.3406","0.0006","9.0991","0.0015","14.7019","0.0013","90","","94.44","0.02","90","","712.29","0.16","314","1","314","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H8 Mg3 Ni3 O18 Si4 -","- H8 Mg2.92 Ni3.08 O18 Si4 -","- H16 Mg5.84 Ni6.16 O36 Si8 -","2","0.5","","Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor","Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders","Journal of Applied Crystallography","2022","55","3","484","502","10.1107/S1600576722003594","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","285768","2023-08-15","08:06:05",""
"2300708","5.3415","0.0006","9.1095","0.0016","14.6976","0.0011","90","","94.31","0.02","90","","713.14","0.16","314","1","314","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H8 Mg2 Ni4 O18 Si4 -","- H8 Mg2.48 Ni3.52 O18 Si4 -","- H16 Mg4.96 Ni7.04 O36 Si8 -","2","0.5","","Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor","Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders","Journal of Applied Crystallography","2022","55","3","484","502","10.1107/S1600576722003594","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","285769","2023-08-15","08:07:07",""
"2300709","5.3411","0.0008","9.0924","0.0017","14.6494","0.0019","90","","94.86","0.02","90","","708.87","0.19","314","1","314","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- H8 Ni6 O18 Si4 -","- H8 Ni6 O18 Si4 -","- H16 Ni12 O36 Si8 -","2","0.5","","Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor","Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders","Journal of Applied Crystallography","2022","55","3","484","502","10.1107/S1600576722003594","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","285770","2023-08-15","08:14:59",""
"2300726","6.8534","0.0001","6.8534","0.0001","4.7556","0.0001","90","","90","","120","","193.441","0.006","300","","300","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Fe2 Mn3 Si3 -","- Fe2.0001 Mn2.9999 Si3 -","- Fe4.0002 Mn5.9998 Si6 -","2","0.0833333","","Ait Haddouch, Mohammed; Abboushi, Nour; Sharma, Neetika; Eich, Andreas; Grzechnik, Andrzej; Li, Cheng; Tolkiehn, Martin; Alsamamra, Husain; Voigt, Jörg; Friese, Karen","Site dependence of the magnetocaloric effect in Mn<sub>5-<i>x</i></sub> Fe <sub><i>x</i></sub> Si<sub>3</sub>.","Journal of applied crystallography","2022","55","Pt 5","1164","1172","10.1107/S1600576722007440","","x-ray","0.44279","synchrotron","","0.0315","0.0245","","","0.0259","0.0274","","","","1.31","1.31","1.27","","","","has coordinates,has Fobs","287856","2023-11-29","03:05:17",""
"2311623","13.23","0.002","18.197","0.004","16.126","0.004","90","","108.65","0.02","90","","3678.4","1.4","297","","297","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 N8 O14 Ru S -","- C26 H24 N8 O14 Ru S -","- C104 H96 N32 O56 Ru4 S4 -","4","1","","Faham, S.; Day, M. W.; Connick, W. B.; Crane, B. R.; Di Bilio, A. J.; Schaefer, W. P.; Rees, D. C.; Gray, H. B.","Structures of ruthenium-modified Pseudomonas aeruginosa azurin and [Ru(2,2'-bipyridine)2(imidazole)2]SO4 x 10H2O.","Acta crystallographica. Section D, Biological crystallography","1999","55","Pt 2","379","385","10.1107/s0907444998010464","","","0.7107","MoKα","","0.0907","0.0907","","0.17","0.17","","","","3.53","3.53","3.53","","","","","has coordinates","246037","2020-10-21","18:00:00",""
"4038963","11.0752","0.0002","10.4369","0.0002","14.7957","0.0003","90","","111.495","0.002","90","","1591.3","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Br N O4 S -","- C14 H18 Br N O4 S -","- C56 H72 Br4 N4 O16 S4 -","4","1","","Vasin, V.A.; Kalyazina, V.A.; Petrova, P.S.; Somov, N.V.","Reaction of Methyl Vinyl Sulfone with Schiff Bases Derived from -Alanine Methyl Ester and Aromatic Aldehydes","RUSSIAN JOURNAL OF ORGANIC CHEMISTRY","2019","55","4","426435","-","10.1134/S107042801904002X","","","0.71073","MoKα","","0.0467","0.0346","","","0.0809","0.0863","","","","","","1.041","","","","has coordinates","269583","2021-10-05","10:46:52",""
"4344379","13.2155","0.0015","13.38","0.002","25.206","0.004","75.983","0.002","81.838","0.002","61.811","0.001","3809.4","0.9","110","2","110","2","","","","","","","","7","P -1","-P 1","2","2014-05-12","","","- H148 Li12 Na8 Ni2 O186 P4 W30 -","- Li8 Na5.9998 Ni2 O169 P4 W30.0062 -","- Li8 Na5.9998 Ni2 O169 P4 W30.0062 -","1","0.5","","Guo, Weiwei; Lv, Hongjin; Bacsa, John; Gao, Yuanzhe; Lee, Je Seong; Hill, Craig L.","Syntheses, Structural Characterization, and Catalytic Properties of Di- and Trinickel Polyoxometalates.","Inorganic chemistry","2016","55","2","461","466","10.1021/acs.inorgchem.5b01935","","","0.71073","MoKα","","0.0775","0.0509","","","0.1148","0.1273","","","","","","1.056","","","","has coordinates,has disorder","175780","2020-10-21","18:00:00",""
"4344380","24.364","0.005","24.299","0.005","28.863","0.006","90","","90","","90","","17087","6","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- H101 Li5 Na5 Ni3 O111 P2 W16 -","- H9 Ni3 O65 P2 W16 -","- H72 Ni24 O520 P16 W128 -","8","1","","Guo, Weiwei; Lv, Hongjin; Bacsa, John; Gao, Yuanzhe; Lee, Je Seong; Hill, Craig L.","Syntheses, Structural Characterization, and Catalytic Properties of Di- and Trinickel Polyoxometalates.","Inorganic chemistry","2016","55","2","461","466","10.1021/acs.inorgchem.5b01935","","","0.71073","MoKα","","0.0705","0.0547","","","0.1678","0.1793","","","","","","1.14","","","","has coordinates,has disorder","175780","2020-10-21","18:00:00",""
"4344470","14.629","0.009","14.629","0.009","14.629","0.009","90","","90","","90","","3131","3","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ce6 Mg23 Sn -","- Ce6 Mg23 Sn -","- Ce24 Mg92 Sn4 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","2.6711","2.03","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344471","14.32","0.007","14.32","0.007","14.32","0.007","90","","90","","90","","2936","2","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C Gd6 Mg23 -","- C Gd6 Mg23 -","- C4 Gd24 Mg92 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","6.3338","1.31","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344472","14.586","0.009","14.586","0.009","14.586","0.009","90","","90","","90","","3103","3","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ce6 Mg23 Si -","- Ce6 Mg23 Si -","- Ce24 Mg92 Si4 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","5.215","2.36","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344473","14.453","0.004","14.453","0.004","14.453","0.004","90","","90","","90","","3019.1","1.4","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C Mg23 Nd6 -","- C Mg23 Nd6 -","- C4 Mg92 Nd24 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","2.4979","1.56","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344474","14.491","0.004","14.491","0.004","14.491","0.004","90","","90","","90","","3043","1.5","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C Mg23 Pr6 -","- C Mg23 Pr6 -","- C4 Mg92 Pr24 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","2.6515","2.08","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344475","14.38","0.007","14.38","0.007","14.38","0.007","90","","90","","90","","2974","3","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C Mg23 Sm6 -","- C Mg23 Sm6 -","- C4 Mg92 Sm24 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","4.2921","1.55","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344476","14.617","0.009","14.617","0.009","14.617","0.009","90","","90","","90","","3123","3","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C La6 Mg23 -","- C La6 Mg23 -","- C4 La24 Mg92 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","3.283","2.17","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344477","14.628","0.003","14.628","0.003","14.628","0.003","90","","90","","90","","3130.1","1.1","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ce6 Mg23 Sb -","- Ce6 Mg23 Sb -","- Ce24 Mg92 Sb4 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","1.939","1.59","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344478","14.597","0.005","14.597","0.005","14.597","0.005","90","","90","","90","","3110.2","1.8","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ce6 Ge Mg23 -","- Ce6 Ge Mg23 -","- Ce24 Ge4 Mg92 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","5.274","2.16","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344479","14.552","0.004","14.552","0.004","14.552","0.004","90","","90","","90","","3081.5","1.5","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ce6 Mg23 P -","- Ce6 Mg23 P -","- Ce24 Mg92 P4 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","3.1467","1.78","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344480","14.713","0.001","14.713","0.001","14.713","0.001","90","","90","","90","","3185","0.4","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- La6 Mg23 Sb -","- La6 Mg23 Sb -","- La24 Mg92 Sb4 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","7.2116","2.69","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344481","14.573","0.004","14.573","0.004","14.573","0.004","90","","90","","90","","3094.9","1.5","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- As Ce6 Mg23 -","- As Ce6 Mg23 -","- As4 Ce24 Mg92 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","CuKα","","","","","","","","","4.1567","2.01","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344482","14.53469","0.00006","14.53469","0.00006","14.53469","0.00006","90","","90","","90","","3070.56","0.02","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C Ce6 Mg23 -","- C Ce6 Mg23 -","- C4 Ce24 Mg92 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","4.2785","2.51","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344483","14.635","0.001","14.635","0.001","14.635","0.001","90","","90","","90","","3134.6","0.4","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- La6 Mg23 P -","- La6 Mg23 P -","- La24 Mg92 P4 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","6.0439","2.92","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344531","28.2062","0.001","31.0697","0.0011","40.1622","0.0014","90","","90","","90","","35196","2","296","2","296.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C29 H132 Ce11 N7 O222 P6 W48 -","- C29 H82 Ce11 N7 O222 P6 W48 -","- C116 H328 Ce44 N28 O888 P24 W192 -","4","0.5","","Ma, Pengtao; Wan, Rong; Wang, Yueyan; Hu, Feng; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Coordination-Driven Self-Assembly of a 2D Graphite-Like Framework Constructed from High-Nuclear Ce10 Cluster Encapsulated Polyoxotungstates.","Inorganic chemistry","2016","55","2","918","924","10.1021/acs.inorgchem.5b02473","","","0.71073","MoKα","","0.1111","0.0586","","","0.1338","0.167","","","","","","1.084","","","","has coordinates","175479","2020-10-21","18:00:00",""
"4344532","16.141","0.003","10.667","0.002","17.303","0.008","90","","120.17","0.02","90","","2575.6","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N12 O6 Zn -","- C22 H18 N12 O6 Zn -","- C88 H72 N48 O24 Zn4 -","4","1","","Xie, Yi-Xin; Zhao, Wen-Na; Li, Guo-Chang; Liu, Peng-Fei; Han, Lei","A Naphthalenediimide-Based Metal-Organic Framework and Thin Film Exhibiting Photochromic and Electrochromic Properties.","Inorganic chemistry","2016","55","2","549","551","10.1021/acs.inorgchem.5b02480","","","0.71073","MoKα","","0.2093","0.08","","","0.1379","0.1937","","","","","","1.015","","","","has coordinates","175480","2020-10-21","18:00:00",""
"4344533","8.8735","0.0011","23.381","0.003","8.9575","0.0011","90","","104.464","0.003","90","","1799.5","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H44 Cl2 Co N4 O15 -","- C28 H44 Cl2 Co N4 O15 -","- C56 H88 Cl4 Co2 N8 O30 -","2","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.0533","0.0518","","","0.1411","0.1435","","","","","","1.129","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344534","8.2508","0.0013","23.122","0.003","8.8694","0.0015","90","","98.264","0.004","90","","1674.5","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H40 Cl2 Co N4 O13 S2 -","- C24 H40 Cl2 Co N4 O13 S2 -","- C48 H80 Cl4 Co2 N8 O26 S4 -","2","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.0385","0.0367","","","0.0866","0.0875","","","","","","1.043","","","","has coordinates,has disorder","301840","2025-08-20","23:44:59",""
"4344535","9.3116","0.0013","14.853","0.0019","12.8247","0.0019","90","","106.387","0.003","90","","1701.7","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H44 Co F3 N4 O10 S -","- C30 H44 Co F3 N4 O10 S -","- C60 H88 Co2 F6 N8 O20 S2 -","2","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.0326","0.0311","","","0.071","0.0716","","","","","","1.053","","","","has coordinates","175481","2020-10-21","18:00:00",""
"4344536","11.017","0.004","15.164","0.006","21.072","0.009","90","","90","","90","","3520","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 Cl Co N5 O8 -","- C32 H52 Cl Co N5 O8 -","- C128 H208 Cl4 Co4 N20 O32 -","4","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.0311","0.0299","","","0.0645","0.065","","","","","","1.112","","","","has coordinates,has disorder","175481","2020-10-21","18:00:00",""
"4344537","9.101","0.003","15.041","0.005","11.112","0.004","90","","98.132","0.004","90","","1505.8","0.9","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H38 Co F3 N4 O8 S -","- C27 H38 Co F3 N4 O8 S -","- C54 H76 Co2 F6 N8 O16 S2 -","2","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.0404","0.0392","","","0.0942","0.0952","","","","","","1.057","","","","has coordinates,has disorder","175481","2020-10-21","18:00:00",""
"4344538","9.1076","0.0019","14.906","0.003","10.516","0.002","90","","102.084","0.006","90","","1396","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H36 Cl Co N4 O9 -","- C25 H36 Cl Co N4 O9 -","- C50 H72 Cl2 Co2 N8 O18 -","2","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.0421","0.0403","","","0.101","0.1023","","","","","","1.102","","","","has coordinates,has disorder","175481","2020-10-21","18:00:00",""
"4344539","14.1722","0.0011","14.4565","0.0011","15.2586","0.0013","90","","90","","90","","3126.2","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Cl4 Co N4 O6 S2 -","- C25 H33 Cl4 Co N4 O6 S2 -","- C100 H132 Cl16 Co4 N16 O24 S8 -","4","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.0397","0.0371","","","0.0942","0.0952","","","","","","1.246","","","","has coordinates","175481","2020-10-21","18:00:00",""
"4344540","11.4522","0.0014","13.7925","0.0018","17.581","0.002","90","","90","","90","","2777","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl Co N6 O7 -","- C28 H32 Cl Co N6 O7 -","- C112 H128 Cl4 Co4 N24 O28 -","4","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.046","0.0397","","","0.08","0.0817","","","","","","1.064","","","","has coordinates","175481","2020-10-21","18:00:00",""
"4344541","21.7674","0.0009","8.3961","0.0004","20.4083","0.0009","90","","90","","90","","3729.8","0.3","120","","120","","","","","","","","","4","P b c n","-P 2n 2ab","60","H4L_2MeCN","","","- C44 H34 N6 O6 -","- C44 H34 N6 O6 -","- C176 H136 N24 O24 -","4","0.5","","Akine, Shigehisa; Utsuno, Fumihiko; Piao, Shunjin; Orita, Hideo; Tsuzuki, Seiji; Nabeshima, Tatsuya","Synthesis, Ion Recognition Ability, and Metal-Assisted Aggregation Behavior of Dinuclear Metallohosts Having a Bis(Saloph) Macrocyclic Ligand.","Inorganic chemistry","2016","55","2","810","821","10.1021/acs.inorgchem.5b02288","","","0.71069","MoKα","","0.0547","0.0488","","","0.1376","0.1425","","","","","","1.064","","","","has coordinates,has disorder","175482","2020-10-21","18:00:00",""
"4344542","11.2439","0.0008","11.7378","0.0008","11.7488","0.0009","63.321","0.0018","66.059","0.002","60.3036","0.0016","1169.47","0.15","120","","120","","","","","","","","","6","P -1","-P 1","2","[LNi2]_4DMSO","","","- C48 H48 N4 Ni2 O10 S4 -","- C48 H48 N4 Ni2 O10 S4 -","- C48 H48 N4 Ni2 O10 S4 -","1","0.5","","Akine, Shigehisa; Utsuno, Fumihiko; Piao, Shunjin; Orita, Hideo; Tsuzuki, Seiji; Nabeshima, Tatsuya","Synthesis, Ion Recognition Ability, and Metal-Assisted Aggregation Behavior of Dinuclear Metallohosts Having a Bis(Saloph) Macrocyclic Ligand.","Inorganic chemistry","2016","55","2","810","821","10.1021/acs.inorgchem.5b02288","","","0.71069","MoKα","","0.0546","0.0475","","","0.1269","0.1345","","","","","","1.08","","","","has coordinates","175483","2020-10-21","18:00:00",""
"4344543","10.7324","0.0006","15.3932","0.0007","11.6479","0.0007","90","","96.9893","0.0017","90","","1910","0.18","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[LPd2]_2DMSO","","","- C44 H36 N4 O8 Pd2 S2 -","- C44 H36 N4 O8 Pd2 S2 -","- C88 H72 N8 O16 Pd4 S4 -","2","0.5","","Akine, Shigehisa; Utsuno, Fumihiko; Piao, Shunjin; Orita, Hideo; Tsuzuki, Seiji; Nabeshima, Tatsuya","Synthesis, Ion Recognition Ability, and Metal-Assisted Aggregation Behavior of Dinuclear Metallohosts Having a Bis(Saloph) Macrocyclic Ligand.","Inorganic chemistry","2016","55","2","810","821","10.1021/acs.inorgchem.5b02288","","","0.71069","MoKα","","0.0583","0.0426","","","0.0936","0.1031","","","","","","1.034","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344544","15.2681","0.0011","23.2426","0.0015","17.6927","0.0012","90","","90.2117","0.0012","90","","6278.6","0.7","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33.38 H29.75 Cl0.75 N5 O Pt -","- C33.375 H29.75 Cl0.75 N5 O Pt -","- C267 H238 Cl6 N40 O8 Pt8 -","8","2","","Kabir, Evanta; Wu, Chia-Hua; Wu, Judy I-Chia; Teets, Thomas S.","Heteroleptic Complexes of Cyclometalated Platinum with Triarylformazanate Ligands.","Inorganic chemistry","2016","55","2","956","963","10.1021/acs.inorgchem.5b02595","","","0.71073","MoKα","","0.0466","0.0353","","","0.093","0.101","","","","","","1.095","","","","has coordinates,has disorder","175485","2020-10-21","18:00:00",""
"4344545","16.384","0.004","11.205","0.003","17.922","0.004","90","","105.605","0.003","90","","3168.9","1.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 Cl2 N5 O3 Pt -","- C34 H31 Cl2 N5 O3 Pt -","- C136 H124 Cl8 N20 O12 Pt4 -","4","1","","Kabir, Evanta; Wu, Chia-Hua; Wu, Judy I-Chia; Teets, Thomas S.","Heteroleptic Complexes of Cyclometalated Platinum with Triarylformazanate Ligands.","Inorganic chemistry","2016","55","2","956","963","10.1021/acs.inorgchem.5b02595","","","0.71073","MoKα","","0.0413","0.0323","","","0.0871","0.097","","","","","","1.096","","","","has coordinates","175485","2020-10-21","18:00:00",""
"4344546","11.104","0.003","11.535","0.003","13.956","0.004","95.274","0.003","100.098","0.003","113.62","0.003","1586.2","0.8","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H27 F2 N5 O Pt -","- C33 H27 F2 N5 O Pt -","- C66 H54 F4 N10 O2 Pt2 -","2","1","","Kabir, Evanta; Wu, Chia-Hua; Wu, Judy I-Chia; Teets, Thomas S.","Heteroleptic Complexes of Cyclometalated Platinum with Triarylformazanate Ligands.","Inorganic chemistry","2016","55","2","956","963","10.1021/acs.inorgchem.5b02595","","","0.71073","MoKα","","0.0243","0.0226","","","0.0567","0.0572","","","","","","1.039","","","","has coordinates","175485","2020-10-21","18:00:00",""
"4344547","11.176","0.002","11.627","0.002","13.726","0.003","93.431","0.003","97.116","0.003","107.884","0.003","1675.3","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H48 Co N2 O2 -","- C37 H48 Co N2 O2 -","- C74 H96 Co2 N4 O4 -","2","1","","Clarke, Ryan M.; Hazin, Khatera; Thompson, John R.; Savard, Didier; Prosser, Kathleen E.; Storr, Tim","Electronic Structure Description of a Doubly Oxidized Bimetallic Cobalt Complex with Proradical Ligands.","Inorganic chemistry","2016","55","2","762","774","10.1021/acs.inorgchem.5b02231","","","0.7749","","","0.0589","0.0379","","","0.0984","0.1201","","","","","","1.109","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344548","16.0869","0.0013","19.859","0.002","25.845","0.003","97.903","0.004","106.447","0.003","103.449","0.003","7516.5","1.3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H90 Co2 N4 O4 -","- C68 H90 Co2 N4 O4 -","- C272 H360 Co8 N16 O16 -","4","2","","Clarke, Ryan M.; Hazin, Khatera; Thompson, John R.; Savard, Didier; Prosser, Kathleen E.; Storr, Tim","Electronic Structure Description of a Doubly Oxidized Bimetallic Cobalt Complex with Proradical Ligands.","Inorganic chemistry","2016","55","2","762","774","10.1021/acs.inorgchem.5b02231","","","0.71073","MoKα","","0.1811","0.079","","","0.1629","0.2055","","","","","","0.959","","","","has coordinates,has disorder","301840","2025-08-20","23:44:59",""
"4344549","14.5959","0.0009","9.1176","0.0007","32.637","0.002","90","","94.132","0.004","90","","4332","0.5","293","","293","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 Cl2 Co F6 N2 O3 Sb -","- C38 H52 Cl2 Co F6 N2 O3 Sb -","- C152 H208 Cl8 Co4 F24 N8 O12 Sb4 -","4","1","","Clarke, Ryan M.; Hazin, Khatera; Thompson, John R.; Savard, Didier; Prosser, Kathleen E.; Storr, Tim","Electronic Structure Description of a Doubly Oxidized Bimetallic Cobalt Complex with Proradical Ligands.","Inorganic chemistry","2016","55","2","762","774","10.1021/acs.inorgchem.5b02231","","","1.5418","CuKα","","0.075","0.0529","","0.1116","0.0612","0.0569","","","","","","1.1071","","","","has coordinates,has disorder","175486","2020-10-21","18:00:00",""
"4344550","9.975","0.005","10.495","0.005","13.5","0.005","85.497","0.005","75.295","0.005","85.161","0.005","1359.7","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Ni O2 S4 -","- C30 H24 Ni O2 S4 -","- C60 H48 Ni2 O4 S8 -","2","1","","Zarkadoulas, Athanasios; Field, Martin J.; Papatriantafyllopoulou, Constantina; Fize, Jennifer; Artero, Vincent; Mitsopoulou, Christiana A.","Experimental and Theoretical Insight into Electrocatalytic Hydrogen Evolution with Nickel Bis(aryldithiolene) Complexes as Catalysts.","Inorganic chemistry","2016","55","2","432","444","10.1021/acs.inorgchem.5b02000","","","0.71073","MoKα","","0.088","0.07","","","0.1921","0.2014","","","","","","1.115","","","","has coordinates","175487","2020-10-21","18:00:00",""
"4344551","9.686","0.0004","15.9951","0.0011","16.9499","0.0009","106.901","0.005","93.89","0.004","107.188","0.005","2366.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H64 N Ni O4 S4 -","- C48 H64 N Ni O4 S4 -","- C96 H128 N2 Ni2 O8 S8 -","2","1","","Zarkadoulas, Athanasios; Field, Martin J.; Papatriantafyllopoulou, Constantina; Fize, Jennifer; Artero, Vincent; Mitsopoulou, Christiana A.","Experimental and Theoretical Insight into Electrocatalytic Hydrogen Evolution with Nickel Bis(aryldithiolene) Complexes as Catalysts.","Inorganic chemistry","2016","55","2","432","444","10.1021/acs.inorgchem.5b02000","","","1.54184","CuKα","","0.0558","0.0448","","","0.119","0.1268","","","","","","1.016","","","","has coordinates","175488","2020-10-21","18:00:00",""
"4344552","15.7758","0.0007","25.1815","0.0011","17.9046","0.0011","90","","91.222","0.001","90","","7111.1","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 Cu K0 Na2 O33 Sb6 -","- C12 H26 Cu Na2 O33 Sb6 -","- C96 H208 Cu8 Na16 O264 Sb48 -","8","1","","Meng, Wei; Xu, Feng; Xu, Weijian","An Anionic Heptacopper(II) Oxo-Cluster {Cu(II)7} with an S = 7/2 Ground State.","Inorganic chemistry","2016","55","2","540","542","10.1021/acs.inorgchem.5b02206","","","0.71073","MoKα","","0.0583","0.0371","","","0.0811","0.0896","","","","","","1.039","","","","has coordinates","175489","2020-10-21","18:00:00",""
"4344553","10.0056","0.0013","14.1395","0.0018","14.2438","0.0018","63.458","0.002","84.991","0.002","85.22","0.002","1793.6","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H62 Cu7 Na6 O68 Sb6 -","- C24 H56 Cu7 Na6 O68 Sb6 -","- C24 H56 Cu7 Na6 O68 Sb6 -","1","0.5","","Meng, Wei; Xu, Feng; Xu, Weijian","An Anionic Heptacopper(II) Oxo-Cluster {Cu(II)7} with an S = 7/2 Ground State.","Inorganic chemistry","2016","55","2","540","542","10.1021/acs.inorgchem.5b02206","","","0.71073","MoKα","","0.0489","0.0411","","","0.1223","0.1294","","","","","","1.064","","","","has coordinates,has disorder","175490","2020-10-21","18:00:00",""
"4344554","7.1421","0.0005","5.5677","0.0004","9.7964","0.0007","90","","90","","90","","389.55","0.05","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- N O3 P Sr2 -","- N O3 P Sr2 -","- N4 O12 P4 Sr8 -","4","0.5","","Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang","M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type.","Inorganic chemistry","2016","55","2","974","982","10.1021/acs.inorgchem.5b02647","","","0.71073","MoKα","","0.0227","0.0209","","","0.051","0.052","","","","","","1.181","","","","has coordinates","175491","2020-10-21","18:00:00",""
"4344555","6.7954","0.0003","5.4395","0.0003","9.4167","0.0005","90","","90","","90","","348.07","0.03","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca2 N O3 P -","- Ca2 N O3 P -","- Ca8 N4 O12 P4 -","4","0.5","","Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang","M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type.","Inorganic chemistry","2016","55","2","974","982","10.1021/acs.inorgchem.5b02647","","","0.71073","MoKα","","0.0268","0.0248","","","0.061","0.0618","","","","","","1.112","","","","has coordinates","175492","2020-10-21","18:00:00",""
"4344556","7.1519","0.0005","5.5778","0.0003","9.8132","0.0007","90","","90","","90","","391.47","0.04","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Strontium oxonitridophosphate","","- N O3 P Sr2 -","- N O3 P Sr2 -","- N4 O12 P4 Sr8 -","4","0.5","","Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang","M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type.","Inorganic chemistry","2016","55","2","974","982","10.1021/acs.inorgchem.5b02647","","","0.71073","MoKα","","0.0226","0.0203","","","0.0468","0.0476","","","","","","1.18","","","","has coordinates","175493","2020-10-21","18:00:00",""
"4344557","7.1433","0.0005","5.5711","0.0003","9.8","0.0007","90","","90","","90","","390","0.04","200","","200","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- N O3 P Sr2 -","- N O3 P Sr2 -","- N4 O12 P4 Sr8 -","4","0.5","","Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang","M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type.","Inorganic chemistry","2016","55","2","974","982","10.1021/acs.inorgchem.5b02647","","","0.71073","MoKα","","0.0262","0.024","","","0.0606","0.0614","","","","","","1.084","","","","has coordinates","175494","2020-10-21","18:00:00",""
"4344558","7.1482","0.0005","5.5745","0.0003","9.8061","0.0006","90","","90","","90","","390.75","0.04","250","","250","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- N O3 P Sr2 -","- N O3 P Sr2 -","- N4 O12 P4 Sr8 -","4","0.5","","Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang","M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type.","Inorganic chemistry","2016","55","2","974","982","10.1021/acs.inorgchem.5b02647","","","0.71073","MoKα","","0.0221","0.0196","","","0.0437","0.0442","","","","","","1.191","","","","has coordinates","175495","2020-10-21","18:00:00",""
"4344559","7.1397","0.0005","5.5649","0.0004","9.7903","0.0007","90","","90","","90","","388.99","0.05","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- N O3 P Sr2 -","- N O3 P Sr2 -","- N4 O12 P4 Sr8 -","4","0.5","","Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang","M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type.","Inorganic chemistry","2016","55","2","974","982","10.1021/acs.inorgchem.5b02647","","","0.71073","MoKα","","0.0256","0.0234","","","0.0561","0.0571","","","","","","1.114","","","","has coordinates","175496","2020-10-21","18:00:00",""
"4344560","9.9168","0.0015","13.5332","0.0018","9.4442","0.0011","90","","104.138","0.012","90","","1229.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H38 N6 O4 S2 -","- C18 H38 N6 O4 S2 -","- C36 H76 N12 O8 S4 -","2","0.5","","Rodríguez-Rodríguez, Aurora; Halime, Zakaria; Lima, Luís M P; Beyler, Maryline; Deniaud, David; Le Poul, Nicolas; Delgado, Rita; Platas-Iglesias, Carlos; Patinec, Véronique; Tripier, Raphaël","Cyclams with Ambidentate Methylthiazolyl Pendants for Stable, Inert, and Selective Cu(II) Coordination.","Inorganic chemistry","2016","55","2","619","632","10.1021/acs.inorgchem.5b01779","","x-ray","0.71073","MoKα","","0.2099","0.072","","","0.1112","0.1632","","","","","","0.887","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344561","7.4313","0.0003","40.4442","0.0017","8.3466","0.0004","90","","100.242","0.004","90","","2468.62","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H37 Cl4 N5 O3 S -","- C14 H37 Cl4 N5 O3 S -","- C56 H148 Cl16 N20 O12 S4 -","4","1","","Rodríguez-Rodríguez, Aurora; Halime, Zakaria; Lima, Luís M P; Beyler, Maryline; Deniaud, David; Le Poul, Nicolas; Delgado, Rita; Platas-Iglesias, Carlos; Patinec, Véronique; Tripier, Raphaël","Cyclams with Ambidentate Methylthiazolyl Pendants for Stable, Inert, and Selective Cu(II) Coordination.","Inorganic chemistry","2016","55","2","619","632","10.1021/acs.inorgchem.5b01779","","x-ray","0.71073","MoKα","","0.0771","0.0573","","","0.1232","0.1345","","","","","","1.055","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4344562","9.7814","0.0002","16.8871","0.0004","16.9644","0.0004","75.406","0.002","79.394","0.002","89.335","0.002","2663.65","0.11","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H32 Cl2 N6 O9 S2 Zn -","- C18 H32 Cl2 N6 O9 S2 Zn -","- C72 H128 Cl8 N24 O36 S8 Zn4 -","4","2","","Rodríguez-Rodríguez, Aurora; Halime, Zakaria; Lima, Luís M P; Beyler, Maryline; Deniaud, David; Le Poul, Nicolas; Delgado, Rita; Platas-Iglesias, Carlos; Patinec, Véronique; Tripier, Raphaël","Cyclams with Ambidentate Methylthiazolyl Pendants for Stable, Inert, and Selective Cu(II) Coordination.","Inorganic chemistry","2016","55","2","619","632","10.1021/acs.inorgchem.5b01779","","x-ray","0.71073","MoKα","","0.0685","0.046","","","0.1066","0.1219","","","","","","1.05","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344563","27.764","0.005","12.9391","0.0018","14.198","0.002","90","","115.07","0.02","90","","4620","1.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H27 Cl2 Cu N5 O8 S -","- C14 H27 Cl2 Cu N5 O8 S -","- C112 H216 Cl16 Cu8 N40 O64 S8 -","8","1","","Rodríguez-Rodríguez, Aurora; Halime, Zakaria; Lima, Luís M P; Beyler, Maryline; Deniaud, David; Le Poul, Nicolas; Delgado, Rita; Platas-Iglesias, Carlos; Patinec, Véronique; Tripier, Raphaël","Cyclams with Ambidentate Methylthiazolyl Pendants for Stable, Inert, and Selective Cu(II) Coordination.","Inorganic chemistry","2016","55","2","619","632","10.1021/acs.inorgchem.5b01779","","x-ray","0.71073","MoKα","","0.2155","0.0764","","","0.1455","0.1841","","","","","","0.845","","","","has coordinates,has disorder","301840","2025-08-20","23:44:59",""
"4344564","9.5052","0.0003","14.0494","0.0005","10.2388","0.0004","90","","109.904","0.004","90","","1285.64","0.09","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 Cl2 Cu N6 O8 S2 -","- C18 H30 Cl2 Cu N6 O8 S2 -","- C36 H60 Cl4 Cu2 N12 O16 S4 -","2","0.5","","Rodríguez-Rodríguez, Aurora; Halime, Zakaria; Lima, Luís M P; Beyler, Maryline; Deniaud, David; Le Poul, Nicolas; Delgado, Rita; Platas-Iglesias, Carlos; Patinec, Véronique; Tripier, Raphaël","Cyclams with Ambidentate Methylthiazolyl Pendants for Stable, Inert, and Selective Cu(II) Coordination.","Inorganic chemistry","2016","55","2","619","632","10.1021/acs.inorgchem.5b01779","","x-ray","0.71073","MoKα","","0.039","0.0289","","","0.0707","0.0729","","","","","","1.019","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344565","12.435","0.0006","23.778","0.0013","14.7265","0.0008","90","","104.597","0.002","90","","4213.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H43 O8 Tb -","- C49 H43 O8 Tb -","- C196 H172 O32 Tb4 -","4","1","","Armelao, Lidia; Belli Dell'Amico, Daniela; Bellucci, Luca; Bottaro, Gregorio; Labella, Luca; Marchetti, Fabio; Samaritani, Simona","Smart Grafting of Lanthanides onto Silica via N,N-Dialkylcarbamato Complexes.","Inorganic chemistry","2016","55","2","939","947","10.1021/acs.inorgchem.5b02535","","","0.71073","MoKα","","0.056","0.0395","","","0.0968","0.1061","","","","","","1.087","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344566","11.3586","0.0007","14.8399","0.001","24.1643","0.0016","90","","98.4869","0.001","90","","4028.5","0.5","90","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H60 Cl2 Co N8 O6 -","- C36 H60 Cl2 Co N8 O6 -","- C144 H240 Cl8 Co4 N32 O24 -","4","0.5","","Tsitovich, Pavel B.; Cox, Jordan M.; Benedict, Jason B.; Morrow, Janet R.","Six-coordinate Iron(II) and Cobalt(II) paraSHIFT Agents for Measuring Temperature by Magnetic Resonance Spectroscopy.","Inorganic chemistry","2016","55","2","700","716","10.1021/acs.inorgchem.5b02144","","x-ray","0.71073","MoKα","","0.0325","0.0298","","","0.0792","0.0811","","","","","","1.074","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344567","9.462","0.003","15.031","0.004","16.177","0.004","106.157","0.006","102.73","0.007","91.141","0.007","2147.4","1","90","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H48 F6 Fe N8 O6 S2 -","- C38 H48 F6 Fe N8 O6 S2 -","- C76 H96 F12 Fe2 N16 O12 S4 -","2","1","","Tsitovich, Pavel B.; Cox, Jordan M.; Benedict, Jason B.; Morrow, Janet R.","Six-coordinate Iron(II) and Cobalt(II) paraSHIFT Agents for Measuring Temperature by Magnetic Resonance Spectroscopy.","Inorganic chemistry","2016","55","2","700","716","10.1021/acs.inorgchem.5b02144","","x-ray","0.71073","MoKα","","0.1534","0.1035","","","0.2699","0.2903","","","","","","1.095","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344568","14.0975","0.0017","13.7505","0.0016","37.868","0.004","90","","96.079","0.004","90","","7299.3","1.4","90","","90","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C59 H73 F15 Fe2 N12 Na O15.5 S5 -","- C59 H73 F15 Fe2 N12 Na O15.5 S5 -","- C236 H292 F60 Fe8 N48 Na4 O62 S20 -","4","2","","Tsitovich, Pavel B.; Cox, Jordan M.; Benedict, Jason B.; Morrow, Janet R.","Six-coordinate Iron(II) and Cobalt(II) paraSHIFT Agents for Measuring Temperature by Magnetic Resonance Spectroscopy.","Inorganic chemistry","2016","55","2","700","716","10.1021/acs.inorgchem.5b02144","","x-ray","0.71073","MoKα","","0.0662","0.0537","","","0.1358","0.1446","","","","","","1.036","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4344569","18.3433","0.0007","18.0221","0.0007","18.908","0.0007","90","","90","","90","","6250.7","0.4","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H36 Co N8 O6 -","- C27 H36 Co N8 O6 -","- C216 H288 Co8 N64 O48 -","8","1","","Tsitovich, Pavel B.; Cox, Jordan M.; Benedict, Jason B.; Morrow, Janet R.","Six-coordinate Iron(II) and Cobalt(II) paraSHIFT Agents for Measuring Temperature by Magnetic Resonance Spectroscopy.","Inorganic chemistry","2016","55","2","700","716","10.1021/acs.inorgchem.5b02144","","x-ray","0.71073","MoKα","","0.0642","0.0463","","","0.1178","0.1251","","","","","","1.088","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344570","21.314","0.004","15.745","0.003","33.445","0.006","90","","93.48","0.005","90","","11203","4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H64 Cl4 Co4 N38 O25 -","- C90 H64 Cl4 Co4 N38 O25 -","- C360 H256 Cl16 Co16 N152 O100 -","4","0.5","","Shen, Fuxing; Huang, Wei; Wu, Dayu; Zheng, Zhe; Huang, Xing-Cai; Sato, Osamu","Redox Modulation of Spin Crossover within a Cobalt Metallogrid.","Inorganic chemistry","2016","55","2","902","908","10.1021/acs.inorgchem.5b02442","","","0.71073","MoKα","","0.1765","0.0929","","","0.2548","0.2992","","","","","","1.107","","","","has coordinates","175504","2020-10-21","18:00:00",""
"4344571","15.857","0.003","19.272","0.004","23.286","0.004","87.342","0.005","74.832","0.005","73.034","0.005","6566","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H88 Cl8 Co4 N32 O32 -","- C80 H88 Cl8 Co4 N32 O32 -","- C160 H176 Cl16 Co8 N64 O64 -","2","1","","Shen, Fuxing; Huang, Wei; Wu, Dayu; Zheng, Zhe; Huang, Xing-Cai; Sato, Osamu","Redox Modulation of Spin Crossover within a Cobalt Metallogrid.","Inorganic chemistry","2016","55","2","902","908","10.1021/acs.inorgchem.5b02442","","","0.71073","MoKα","","0.2371","0.1069","","","0.2237","0.254","","","","","","1.051","","","","has coordinates,has disorder","301840","2025-08-20","23:44:59",""
"4344572","21.917","0.005","28.88","0.006","22.603","0.005","90","","95.637","0.006","90","","14238","5","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C85 H86 Br8 Cl8 Co4 N34 O38 -","- C85 H86 Br8 Cl8 Co4 N34 O38 -","- C340 H344 Br32 Cl32 Co16 N136 O152 -","4","0.5","","Shen, Fuxing; Huang, Wei; Wu, Dayu; Zheng, Zhe; Huang, Xing-Cai; Sato, Osamu","Redox Modulation of Spin Crossover within a Cobalt Metallogrid.","Inorganic chemistry","2016","55","2","902","908","10.1021/acs.inorgchem.5b02442","","","0.71073","MoKα","","0.1914","0.1113","","","0.2873","0.3339","","","","","","1.051","","","","has coordinates,has disorder","175504","2020-10-21","18:00:00",""
"4344573","10.9371","0.0008","7.7315","0.0007","11.2524","0.001","90","","96.887","0.006","90","","944.64","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B8 K Li O13 -","- B8 K Li O13 -","- B32 K4 Li4 O52 -","4","1","","An, Donghai; Kong, Qingrong; Zhang, Min; Yang, Yun; Li, Danni; Yang, Zhihua; Pan, Shilie; Chen, Huimin; Su, Zhi; Sun, Yi; Mutailipu, Miriding","Versatile Coordination Mode of LiNaB8O13 and α- and β-LiKB8O13 via the Flexible Assembly of Four-Connected B5O10 and B3O7 Groups.","Inorganic chemistry","2016","55","2","552","554","10.1021/acs.inorgchem.5b02500","","","0.71073","MoKα","","0.1062","0.0569","","","0.1295","0.1513","","","","","","1.045","","","","has coordinates","175505","2020-10-21","18:00:00",""
"4344574","19.232","0.01","6.636","0.004","17.307","0.009","90","","113.99","0.005","90","","2018","1.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B8 Li Na O13 -","- B8 Li Na O13 -","- B64 Li8 Na8 O104 -","8","1","","An, Donghai; Kong, Qingrong; Zhang, Min; Yang, Yun; Li, Danni; Yang, Zhihua; Pan, Shilie; Chen, Huimin; Su, Zhi; Sun, Yi; Mutailipu, Miriding","Versatile Coordination Mode of LiNaB8O13 and α- and β-LiKB8O13 via the Flexible Assembly of Four-Connected B5O10 and B3O7 Groups.","Inorganic chemistry","2016","55","2","552","554","10.1021/acs.inorgchem.5b02500","","","0.71073","MoKα","","0.0562","0.0412","","","0.1065","0.1147","","","","","","1.042","","","","has coordinates","175506","2020-10-21","18:00:00",""
"4344575","14.472","0.003","8.4169","0.0019","18.101","0.004","90","","90","","90","","2204.9","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B8 K Li O13 -","- B8 K Li O13 -","- B64 K8 Li8 O104 -","8","1","","An, Donghai; Kong, Qingrong; Zhang, Min; Yang, Yun; Li, Danni; Yang, Zhihua; Pan, Shilie; Chen, Huimin; Su, Zhi; Sun, Yi; Mutailipu, Miriding","Versatile Coordination Mode of LiNaB8O13 and α- and β-LiKB8O13 via the Flexible Assembly of Four-Connected B5O10 and B3O7 Groups.","Inorganic chemistry","2016","55","2","552","554","10.1021/acs.inorgchem.5b02500","","","0.71073","MoKα","","0.0413","0.0314","","","0.0801","0.0856","","","","","","1.024","","","","has coordinates","175507","2020-10-21","18:00:00",""
"4344576","14.4212","0.0002","14.6648","0.0003","17.2369","0.0003","65.604","0.002","71.938","0.001","64.448","0.002","2956.31","0.11","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C112.42 H178 I8 Mo6 N2 O14 -","- C112.42 H178 I8 Mo6 N2 O14 -","- C112.42 H178 I8 Mo6 N2 O14 -","1","0.5","","Kirakci, Kaplan; Kubát, Pavel; Fejfarová, Karla; Martinčík, Jiří; Nikl, Martin; Lang, Kamil","X-ray Inducible Luminescence and Singlet Oxygen Sensitization by an Octahedral Molybdenum Cluster Compound: A New Class of Nanoscintillators.","Inorganic chemistry","2016","55","2","803","809","10.1021/acs.inorgchem.5b02282","","","0.7107","MoKα","","0.0576","0.0388","","","0.1024","0.1105","","","","1.66","1.66","1.54","","","","has coordinates","175508","2020-10-21","18:00:00",""
"4344577","8.042","0.0002","15.1061","0.0004","4.4867","0.0001","90","","90","","90","","545.06","0.02","130","2","130","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Ag Ge4 Li12 -","- Ag Ge4 Li12 -","- Ag2 Ge8 Li24 -","2","0.25","","Henze, Alexander; Fässler, Thomas F","Switching the Structure Type upon Ag Substitution: Synthesis and Crystal as well as Electronic Structures of Li12AgGe4.","Inorganic chemistry","2016","55","2","822","827","10.1021/acs.inorgchem.5b02299","","","0.71073","MoKα","","0.0355","0.0293","","","0.0692","0.0713","","","","","","1.133","","","","has coordinates","175509","2020-10-21","18:00:00",""
"4344578","12.5719","0.0005","18.9447","0.0007","15.7164","0.0006","90","","104.826","0.0018","90","","3618.6","0.2","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H66 F6 Fe2 N8 O6 S6 -","- C70 H66 F6 Fe2 N8 O6 S6 -","- C140 H132 F12 Fe4 N16 O12 S12 -","2","0.5","","Das, Uttam K.; Daifuku, Stephanie L.; Gorelsky, Serge I.; Korobkov, Ilia; Neidig, Michael L.; Le Roy, Jennifer J.; Murugesu, Muralee; Baker, R. Tom","Mononuclear, Dinuclear, and Trinuclear Iron Complexes Featuring a New Monoanionic SNS Thiolate Ligand.","Inorganic chemistry","2016","55","2","987","997","10.1021/acs.inorgchem.5b02833","","","0.71073","MoKα","","0.0611","0.0451","","","0.1171","0.1291","","","","","","1.024","","","","has coordinates","175510","2020-10-21","18:00:00",""
"4344579","10.1391","0.0003","15.2828","0.0004","22.8885","0.0007","94.993","0.002","98.271","0.002","98.65","0.002","3448.38","0.18","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C59.5 H49.5 Cl4.5 F6 Fe3 N4 O6 S10 -","- C59.5 H49.5 Cl4.5 F6 Fe3 N4 O6 S10 -","- C119 H99 Cl9 F12 Fe6 N8 O12 S20 -","2","1","","Das, Uttam K.; Daifuku, Stephanie L.; Gorelsky, Serge I.; Korobkov, Ilia; Neidig, Michael L.; Le Roy, Jennifer J.; Murugesu, Muralee; Baker, R. Tom","Mononuclear, Dinuclear, and Trinuclear Iron Complexes Featuring a New Monoanionic SNS Thiolate Ligand.","Inorganic chemistry","2016","55","2","987","997","10.1021/acs.inorgchem.5b02833","","","0.71073","MoKα","","0.1373","0.0788","","","0.209","0.2473","","","","","","1.044","","","","has coordinates,has disorder","301840","2025-08-20","23:44:59",""
"4344580","10.6895","0.0005","11.2318","0.0005","11.5933","0.0005","74.39","0.003","85.483","0.003","75.255","0.003","1296.35","0.1","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H24 F3 Fe N2 O6 P S3 -","- C20 H24 F3 Fe N2 O6 P S3 -","- C40 H48 F6 Fe2 N4 O12 P2 S6 -","2","1","","Das, Uttam K.; Daifuku, Stephanie L.; Gorelsky, Serge I.; Korobkov, Ilia; Neidig, Michael L.; Le Roy, Jennifer J.; Murugesu, Muralee; Baker, R. Tom","Mononuclear, Dinuclear, and Trinuclear Iron Complexes Featuring a New Monoanionic SNS Thiolate Ligand.","Inorganic chemistry","2016","55","2","987","997","10.1021/acs.inorgchem.5b02833","","","0.71073","MoKα","","0.1591","0.0655","","","0.0959","0.1167","","","","","","1.019","","","","has coordinates,has disorder","175512","2020-10-21","18:00:00",""
"4344581","11.49","0.0003","21.1626","0.0005","14.9493","0.0004","90","","90.076","0.001","90","","3635.04","0.16","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 F3 Fe N4 O3 P S3 -","- C34 H34 F3 Fe N4 O3 P S3 -","- C136 H136 F12 Fe4 N16 O12 P4 S12 -","4","1","","Das, Uttam K.; Daifuku, Stephanie L.; Gorelsky, Serge I.; Korobkov, Ilia; Neidig, Michael L.; Le Roy, Jennifer J.; Murugesu, Muralee; Baker, R. Tom","Mononuclear, Dinuclear, and Trinuclear Iron Complexes Featuring a New Monoanionic SNS Thiolate Ligand.","Inorganic chemistry","2016","55","2","987","997","10.1021/acs.inorgchem.5b02833","","","0.71073","MoKα","","0.0456","0.0321","","","0.0811","0.0891","","","","","","1.012","","","","has coordinates","175513","2020-10-21","18:00:00",""
"4344582","7.4676","0.0013","12.1779","0.0013","9.3974","0.0017","90","","111.352","0.008","90","","795.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cu5 K2 O19 S3 Te -","- Cu5 K2 O19 S3 Te -","- Cu10 K4 O38 S6 Te2 -","2","0.5","","Tang, Yingying; Guo, Wenbin; Xiang, Hongping; Zhang, Suyun; Yang, Ming; Cui, Meiyan; Wang, Nannan; He, Zhangzhen","Synthesis, Structure, and Magnetic Properties of A2Cu5(TeO3)(SO4)3(OH)4 (A = Na, K): The First Compounds with a 1D Kagomé Strip Lattice.","Inorganic chemistry","2016","55","2","644","648","10.1021/acs.inorgchem.5b01889","","","0.71073","MoKα","","0.0432","0.0354","","","0.0793","0.0852","","","","","","1.073","","","","has coordinates","175514","2020-10-21","18:00:00",""
"4344583","7.294","0.003","12.005","0.004","9.214","0.003","90","","111.16","0.006","90","","752.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cu5 Na2 O19 S3 Te -","- Cu5 Na2 O19 S3 Te -","- Cu10 Na4 O38 S6 Te2 -","2","0.5","","Tang, Yingying; Guo, Wenbin; Xiang, Hongping; Zhang, Suyun; Yang, Ming; Cui, Meiyan; Wang, Nannan; He, Zhangzhen","Synthesis, Structure, and Magnetic Properties of A2Cu5(TeO3)(SO4)3(OH)4 (A = Na, K): The First Compounds with a 1D Kagomé Strip Lattice.","Inorganic chemistry","2016","55","2","644","648","10.1021/acs.inorgchem.5b01889","","","0.71073","MoKα","","0.0221","0.0204","","","0.0545","0.0555","","","","","","1.093","","","","has coordinates","175515","2020-10-21","18:00:00",""
"4344584","9.2199","0.0006","16.3663","0.0011","23.4311","0.0016","90","","95.314","0.001","90","","3520.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H41 B Ir N4 O P2 -","- C38 H41 B Ir N4 O P2 -","- C152 H164 B4 Ir4 N16 O4 P8 -","4","1","","Serrano, Ángel L; Casado, Miguel A.; Ciriano, Miguel A.; de Bruin, Bas; López, José A; Tejel, Cristina","Nucleophilicity and P-C Bond Formation Reactions of a Terminal Phosphanido Iridium Complex.","Inorganic chemistry","2016","55","2","828","839","10.1021/acs.inorgchem.5b02301","","","0.71073","MoKα","","0.056","0.0326","","","0.0659","0.0749","","","","","","1.021","","","","has coordinates","175516","2020-10-21","18:00:00",""
"4344585","9.2577","0.0006","12.0642","0.0008","12.3424","0.0008","110.704","0.0007","97.3629","0.0007","96.9675","0.0008","1258.04","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C25.4 H26.4 B Cl Ir N4 O P -","- C25.398 H21.4 B Cl Ir N4 O P -","- C50.796 H42.8 B2 Cl2 Ir2 N8 O2 P2 -","2","1","","Serrano, Ángel L; Casado, Miguel A.; Ciriano, Miguel A.; de Bruin, Bas; López, José A; Tejel, Cristina","Nucleophilicity and P-C Bond Formation Reactions of a Terminal Phosphanido Iridium Complex.","Inorganic chemistry","2016","55","2","828","839","10.1021/acs.inorgchem.5b02301","","","0.71073","MoKα","","0.0339","0.0279","","","0.0565","0.0599","","","","","","1.044","","","","has coordinates,has disorder","175516","2020-10-21","18:00:00",""
"4344586","10.6388","0.0014","12.1439","0.0016","17.158","0.002","83.494","0.002","80.166","0.002","89.682","0.002","2169.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H48 B Ir N4 O5 P2 -","- C48 H48 B Ir N4 O5 P2 -","- C96 H96 B2 Ir2 N8 O10 P4 -","2","1","","Serrano, Ángel L; Casado, Miguel A.; Ciriano, Miguel A.; de Bruin, Bas; López, José A; Tejel, Cristina","Nucleophilicity and P-C Bond Formation Reactions of a Terminal Phosphanido Iridium Complex.","Inorganic chemistry","2016","55","2","828","839","10.1021/acs.inorgchem.5b02301","","","0.71073","MoKα","","0.0474","0.0366","","","0.0785","0.0823","","","","","","1.085","","","","has coordinates","175516","2020-10-21","18:00:00",""
"4344587","16.992","0.003","23.779","0.005","11.228","0.002","90","","96.59","0.03","90","","4506.7","1.5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H61 N5 Ni O2 -","- C50 H61 N5 Ni O2 -","- C200 H244 N20 Ni4 O8 -","4","1","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.0788","0.0404","","","0.0753","0.0893","","","","","","1.065","","","","has coordinates,has disorder","301840","2025-08-20","23:44:59",""
"4344588","14.493","0.003","16.739","0.003","19.864","0.004","90","","102.66","0.03","90","","4701.8","1.7","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 F6 N4 Ni O2 Sb -","- C48 H58 F6 N4 Ni O2 Sb -","- C192 H232 F24 N16 Ni4 O8 Sb4 -","4","1","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.0914","0.0409","","","0.0746","0.0921","","","","","","1.039","","","","has coordinates,has disorder","175517","2020-10-21","18:00:00",""
"4344589","13.158","0.003","14.791","0.003","15.899","0.003","74.16","0.03","79.57","0.03","82.52","0.03","2916.9","1.2","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C51 H64 Cl3 F12 N4 Ni O2 Sb2 -","- C51 H64 Cl3 F12 N4 Ni O2 Sb2 -","- C102 H128 Cl6 F24 N8 Ni2 O4 Sb4 -","2","1","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.0707","0.0384","","","0.0846","0.1064","","","","","","1.129","","","","has coordinates,has disorder","175517","2020-10-21","18:00:00",""
"4344590","5.9786","0.0012","17.991","0.004","31.423","0.006","90","","90","","90","","3379.9","1.2","200","","200","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C36 H49 N5 Ni -","- C36 H49 N5 Ni -","- C144 H196 N20 Ni4 -","4","0.5","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.0546","0.0358","","","0.0816","0.0909","","","","","","1.073","","","","has coordinates,has disorder","301840","2025-08-20","23:44:59",""
"4344591","42.949","0.009","16.025","0.003","26.266","0.005","90","","102.82","0.03","90","","17627","6","200","","200","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C71.67 H103.96 Cl3.67 F12 N8 Ni2 O2.17 Sb2 -","- C71.66 H103.948 Cl3.66 F12 N8 Ni2 O2.17 Sb2 -","- C573.28 H831.584 Cl29.28 F96 N64 Ni16 O17.36 Sb16 -","8","1","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.1308","0.082","","","0.2196","0.2685","","","","","","1.058","","","","has coordinates,has disorder","175517","2020-10-21","18:00:00",""
"4344592","10.241","0.002","20.434","0.004","21.641","0.004","79.57","0.03","84.89","0.03","87.79","0.03","4435","1.5","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C35.19 H48.38 Cl2.38 F12 N4 Ni Sb2 -","- C35.19 H48.38 Cl2.375 F12 N4 Ni Sb2 -","- C140.76 H193.52 Cl9.5 F48 N16 Ni4 Sb8 -","4","2","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.1257","0.0547","","","0.1093","0.1358","","","","","","1.021","","","","has coordinates,has disorder","175517","2020-10-21","18:00:00",""
"4344593","32.676","0.007","9.2348","0.0018","26.252","0.005","90","","117.3","0.03","90","","7039","3","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H48 Cl2 N4 Ni O -","- C35 H48 Cl2 N4 Ni O -","- C280 H384 Cl16 N32 Ni8 O8 -","8","1","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.0692","0.0385","","","0.0812","0.0919","","","","","","1.039","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344594","9.4927","0.0019","12.896","0.003","16.95","0.003","80.96","0.03","87.72","0.03","71.86","0.03","1947.3","0.8","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C69 H90 Cl6 F12 N8 Ni2 Sb2 -","- C69 H90 Cl6 F12 N8 Ni2 Sb2 -","- C69 H90 Cl6 F12 N8 Ni2 Sb2 -","1","0.5","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.0593","0.0383","","","0.0817","0.0907","","","","","","1.099","","","","has coordinates,has disorder","175517","2020-10-21","18:00:00",""
"4344595","10.321","0.002","14.752","0.003","35.356","0.007","90","","94.83","0.03","90","","5364","1.9","200","","200","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36.5 H49 Cl7 F12 N4 Ni Sb2 -","- C36.5 H49 Cl7 F12 N4 Ni Sb2 -","- C146 H196 Cl28 F48 N16 Ni4 Sb8 -","4","1","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.0673","0.0588","","","0.1526","0.1569","","","","","","1.17","","","","has coordinates,has disorder","301840","2025-08-20","23:44:59",""
"4344596","5.8291","0.0012","8.9393","0.0018","16.659","0.003","105.38","0.03","90.53","0.03","92.73","0.03","835.8","0.3","200","","200","","","","","","","","","6","P 1","P 1","1","","","","- C35 H48 F2 N4 Ni O -","- C35 H48 F2 N4 Ni O -","- C35 H48 F2 N4 Ni O -","1","1","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.0625","0.0534","","","0.1216","0.1259","","","","","","1.063","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344597","13.882","0.003","17.661","0.004","13.003","0.003","90","","93.67","0.03","90","","3181.4","1.2","173","2","173.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C50 Cl10 O -","- C50 Cl10 O -","- C200 Cl40 O4 -","4","0.5","","Zhang, Zhen-Qiang; Chen, Shu-Fen; Gao, Cong-Li; Zhou, Ting; Shan, Gui-Juan; Tan, Yuan-Zhi; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","Regioselective Oxidation of Fused-Pentagon Chlorofullerenes.","Inorganic chemistry","2016","55","2","543","545","10.1021/acs.inorgchem.5b02239","","","0.71073","MoKα","","0.0406","0.0362","","","0.0808","0.0832","","","","","","1.082","","","","has coordinates","175518","2020-10-21","18:00:00",""
"4344598","18.6824","0.0015","13.3999","0.0012","13.9329","0.001","90","","90","","90","","3488","0.5","173","2","173.15","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- C56 Cl10 O -","- C56 Cl10 O -","- C224 Cl40 O4 -","4","0.25","","Zhang, Zhen-Qiang; Chen, Shu-Fen; Gao, Cong-Li; Zhou, Ting; Shan, Gui-Juan; Tan, Yuan-Zhi; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","Regioselective Oxidation of Fused-Pentagon Chlorofullerenes.","Inorganic chemistry","2016","55","2","543","545","10.1021/acs.inorgchem.5b02239","","","0.71073","MoKα","","0.0606","0.0584","","","0.1745","0.177","","","","","","1.115","","","","has coordinates","175519","2020-10-21","18:00:00",""
"4344599","36.094","0.008","12.801","0.003","23.336","0.006","90","","127.526","0.01","90","","8551","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Mo12 Na3 O66 P8 U -","- Mo12 Na3 O66 P8 U -","- Mo48 Na12 O264 P32 U4 -","4","0.5","","Deb, Tapash; Zakharov, Lev; Falaise, Clément; Nyman, May","Structure and Solution Speciation of U(IV) Linked Phosphomolybdate (Mo(V)) Clusters.","Inorganic chemistry","2016","55","2","755","761","10.1021/acs.inorgchem.5b02229","","","1.54178","CuKα","","0.14","0.1084","","","0.2788","0.3016","","","","","","1.126","","","","has coordinates,has disorder","289031","2024-01-11","08:36:03",""
"4344600","12.121","0.003","12.655","0.003","13.29","0.003","108.612","0.005","115.266","0.004","93.77","0.005","1697.9","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- Mo6 Na3 O38 P5 -","- Mo6 Na3 O38 P5 -","- Mo12 Na6 O76 P10 -","2","1","","Deb, Tapash; Zakharov, Lev; Falaise, Clément; Nyman, May","Structure and Solution Speciation of U(IV) Linked Phosphomolybdate (Mo(V)) Clusters.","Inorganic chemistry","2016","55","2","755","761","10.1021/acs.inorgchem.5b02229","","","0.71073","MoKα","","0.1162","0.0659","","","0.1399","0.1673","","","","","","1.023","","","","has coordinates","286259","2023-09-07","06:04:50",""
"4344601","13.622","0.003","29.108","0.006","29.17","0.006","90","","91.74","0.03","90","","11561","4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H58 B30 Cl4 Ir N3 -","- C41 H58 B30 Cl4 Ir N3 -","- C328 H464 B240 Cl32 Ir8 N24 -","8","2","","Kim, Yejin; Park, Sunghee; Lee, Young Hoon; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Homoleptic Tris-Cyclometalated Iridium Complexes with Substituted o-Carboranes: Green Phosphorescent Emitters for Highly Efficient Solution-Processed Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","2","909","917","10.1021/acs.inorgchem.5b02444","","","0.62998","synchrotron","","0.0345","0.0303","","","0.0739","0.0764","","","","","","1.024","","","","has coordinates","175523","2020-10-21","18:00:00",""
"4344602","26.0655","0.0005","23.0045","0.0005","13.4263","0.0003","90","","113.347","0.001","90","","7391.5","0.3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H81 B30 Cl9 Ir N3 -","- C54 H81 B30 Cl9 Ir N3 -","- C216 H324 B120 Cl36 Ir4 N12 -","4","1","","Kim, Yejin; Park, Sunghee; Lee, Young Hoon; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Homoleptic Tris-Cyclometalated Iridium Complexes with Substituted o-Carboranes: Green Phosphorescent Emitters for Highly Efficient Solution-Processed Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","2","909","917","10.1021/acs.inorgchem.5b02444","","","0.71073","MoKα","","0.0576","0.0432","","","0.0926","0.102","","","","","","1.068","","","","has coordinates","175523","2020-10-21","18:00:00",""
"4344603","36.3946","0.0005","36.3946","0.0005","10.0644","0.0002","90","","90","","120","","11545","0.3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22 H28 Mo N2 O S4 -","- C22 H28 Mo N2 O S4 -","- C396 H504 Mo18 N36 O18 S72 -","18","1","","Yang, Jing; Mogesa, Benjamin; Basu, Partha; Kirk, Martin L.","Large Ligand Folding Distortion in an Oxomolybdenum Donor-Acceptor Complex.","Inorganic chemistry","2016","55","2","785","793","10.1021/acs.inorgchem.5b02252","","","0.71073","MoKα","","0.12","0.0824","","","0.1919","0.2332","","","","","","1.425","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4344604","13.445","0.004","13.353","0.004","11.273","0.003","90","","90","","90","","2023.9","1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H16 Cl6 N W -","- C18 H16 Cl6 N W -","- C72 H64 Cl24 N4 W4 -","4","0.5","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano","Oxidative Dimerization of Triarylamines Promoted by WCl6, Including the Solid State Isolation and the Crystallographic Characterization of a Triphenylammonium Salt.","Inorganic chemistry","2016","55","2","887","893","10.1021/acs.inorgchem.5b02392","","","0.71073","MoKα","","0.0752","0.0509","","","0.1084","0.1186","","","","","","0.992","","","","has coordinates","175525","2020-10-21","18:00:00",""
"4344605","7.5988","0.0002","16.7478","0.0005","12.8198","0.0004","90","","91.209","0.003","90","","1631.13","0.08","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- Br3 H4 N O16 Pb4 -","- Br3 N O16 Pb4 -","- Br12 N4 O64 Pb16 -","4","1","","Kong, Fang; Hu, Chun-Li; Liang, Ming-Li; Mao, Jiang-Gao","Pb4(OH)4(BrO3)3(NO3): An Example of SHG Crystal in Metal Bromates Containing π-Conjugated Planar Triangle.","Inorganic chemistry","2016","55","2","948","955","10.1021/acs.inorgchem.5b02523","","","0.71073","MoKα","","0.0462","0.0342","","","0.0478","0.0553","","","","","","0.975","","","","has coordinates","175526","2020-10-21","18:00:00",""
"4344606","10.074","0.002","19.262","0.005","32.57","0.008","90","","90","","90","","6320","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Br6 H8 N2 O32 Pb8 -","- Br6 H2 N2 O32 Pb8 -","- Br48 H16 N16 O256 Pb64 -","8","1","","Kong, Fang; Hu, Chun-Li; Liang, Ming-Li; Mao, Jiang-Gao","Pb4(OH)4(BrO3)3(NO3): An Example of SHG Crystal in Metal Bromates Containing π-Conjugated Planar Triangle.","Inorganic chemistry","2016","55","2","948","955","10.1021/acs.inorgchem.5b02523","","","0.71073","MoKα","","0.0581","0.0471","","","0.1175","0.1252","","","","","","1.085","","","","has coordinates","175526","2020-10-21","18:00:00",""
"4344607","24.7139","0.0002","21.6677","0.0002","20.0276","0.0001","90","","90","","90","","10724.7","0.14","292","2","292","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- Co4 Cs2.5 H33 Na1.5 O52 P W9 -","- Co4 Cs2.5 O47 P W9 -","- Co32 Cs20 O376 P8 W72 -","8","1","","Duan, Yan; Clemente-Juan, Juan M; Giménez-Saiz, Carlos; Coronado, Eugenio","Cobalt Clusters with Cubane-Type Topologies Based on Trivacant Polyoxometalate Ligands.","Inorganic chemistry","2016","55","2","925","938","10.1021/acs.inorgchem.5b02532","","","0.71073","MoKα","","0.0728","0.047","","","0.1346","0.1481","","","","","","1.051","","","","has coordinates","175527","2020-10-21","18:00:00",""
"4344608","12.4982","0.0005","12.6768","0.0006","33.332","0.002","90","","96.416","0.005","90","","5248","0.5","120","0.1","120","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- Co7 Cs7 H58 Na2 O100 P2 W18 -","- Co7 Cs7 Na2 O90 P2 W18 -","- Co14 Cs14 Na4 O180 P4 W36 -","2","0.5","","Duan, Yan; Clemente-Juan, Juan M; Giménez-Saiz, Carlos; Coronado, Eugenio","Cobalt Clusters with Cubane-Type Topologies Based on Trivacant Polyoxometalate Ligands.","Inorganic chemistry","2016","55","2","925","938","10.1021/acs.inorgchem.5b02532","","","0.71073","MoKα","","0.1883","0.1495","","","0.3933","0.4226","","","","","","1.299","","","","has coordinates,has disorder","175527","2020-10-21","18:00:00",""
"4344609","10.2222","0.0003","12.6115","0.0004","17.8646","0.0006","77.041","0.003","83.369","0.003","73.088","0.003","2144.21","0.12","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- Co8 H58 K5 Na2 O100 P2 W18 -","- Co8 K5 Na2 O100 P2 W18 -","- Co8 K5 Na2 O100 P2 W18 -","1","0.5","","Duan, Yan; Clemente-Juan, Juan M; Giménez-Saiz, Carlos; Coronado, Eugenio","Cobalt Clusters with Cubane-Type Topologies Based on Trivacant Polyoxometalate Ligands.","Inorganic chemistry","2016","55","2","925","938","10.1021/acs.inorgchem.5b02532","","","0.71073","MoKα","","0.0855","0.0519","","","0.1184","0.1428","","","","","","1.088","","","","has coordinates,has disorder","175527","2020-10-21","18:00:00",""
"4344610","12.7112","0.0003","12.7409","0.0004","23.7998","0.0006","101.199","0.002","93.011","0.002","105.768","0.002","3616.05","0.18","120","0.14","120","0.14","","","","","","","","6","P -1","-P 1","2","","","","- Co7 H94 Na15 O162 P4 W30 -","- Co7 Na15 O156 P4 W30 -","- Co7 Na15 O156 P4 W30 -","1","0.5","","Duan, Yan; Clemente-Juan, Juan M; Giménez-Saiz, Carlos; Coronado, Eugenio","Cobalt Clusters with Cubane-Type Topologies Based on Trivacant Polyoxometalate Ligands.","Inorganic chemistry","2016","55","2","925","938","10.1021/acs.inorgchem.5b02532","","","0.71073","MoKα","","0.0656","0.047","","","0.1044","0.1136","","","","","","0.965","","","","has coordinates,has disorder","175527","2020-10-21","18:00:00",""
"4344611","4.2837","0.0001","4.2837","0.0001","10.4482","0.0005","90","","90","","90","","191.725","0.011","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Ga3 La -","- Cu Ga3 La -","- Cu2 Ga6 La2 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.0486","0.0464","","","0.1169","0.1183","","","","","","1.102","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344612","4.2487","0.0001","4.2487","0.0001","10.4372","0.0004","90","","90","","90","","188.407","0.01","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Ce Cu Ga3 -","- Ce Cu Ga3 -","- Ce2 Cu2 Ga6 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.035","0.034","","","0.0919","0.0924","","","","","","1.131","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344613","4.209","0.0001","4.209","0.0001","10.4885","0.0004","90","","90","","90","","185.811","0.009","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Ga3 Pr -","- Cu Ga3 Pr -","- Cu2 Ga6 Pr2 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.0245","0.0244","","","0.0583","0.0583","","","","","","1.082","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344614","4.202","0.0003","4.202","0.0003","10.4151","0.0008","90","","90","","90","","183.9","0.02","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Ga3 Nd -","- Cu Ga3 Nd -","- Cu2 Ga6 Nd2 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.0504","0.0429","","","0.1129","0.1334","","","","","","1.268","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344615","4.1441","0.0003","4.1441","0.0003","10.5568","0.0011","90","","90","","90","","181.3","0.03","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Ga3 Sm -","- Cu Ga3 Sm -","- Cu2 Ga6 Sm2 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.0477","0.0475","","","0.118","0.1182","","","","","","1.067","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344616","4.2589","0.0002","4.2589","0.0002","10.6898","0.0007","90","","90","","90","","193.894","0.018","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Eu Ga3 -","- Cu Eu Ga3 -","- Cu2 Eu2 Ga6 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.0312","0.0305","","","0.0724","0.0727","","","","","","1.094","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344617","4.119","0.0001","4.119","0.0001","10.5327","0.0004","90","","90","","90","","178.699","0.009","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Ga3 Gd -","- Cu Ga3 Gd -","- Cu2 Ga6 Gd2 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.0261","0.0255","","","0.0649","0.065","","","","","","1.117","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344618","4.1913","0.0008","4.1913","0.0008","10.409","0.002","90","","90","","90","","182.85","0.06","200","2","200","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Ga3 Nd -","- Cu Ga3 Nd -","- Cu2 Ga6 Nd2 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.044","0.044","","","0.1198","0.1198","","","","","","1.339","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344619","4.2194","0.0008","4.2194","0.0008","10.449","0.002","90","","90","","90","","186.03","0.06","400","2","400","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Ga3 Nd -","- Cu Ga3 Nd -","- Cu2 Ga6 Nd2 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.0336","0.0335","","","0.0765","0.0766","","","","","","1.201","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344620","10.8657","0.0004","11.4436","0.0004","13.5006","0.0004","92.535","0.003","113.243","0.003","90.364","0.003","1540.43","0.1","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H84 F2 Mn5 N4 O46 -","- C32 H84 F2 Mn5 N4 O46 -","- C32 H84 F2 Mn5 N4 O46 -","1","0.5","","Kerber, William D.; Goheen, Joshua T.; Perez, Kaitlyn A.; Siegler, Maxime A.","Enhanced Stability of the Fe(II)/Mn(II) State in a Synthetic Model of Heterobimetallic Cofactor Assembly.","Inorganic chemistry","2016","55","2","848","857","10.1021/acs.inorgchem.5b02322","","","0.71073","MoKα","","0.036","0.0304","","","0.0648","0.0693","","","","","","1.113","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344621","10.8238","0.0003","11.3967","0.0003","13.4092","0.0004","92.709","0.002","113.42","0.003","90.301","0.002","1515.61","0.08","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H84 F2 Fe5 N4 O46 -","- C32 H84 F2 Fe5 N4 O46 -","- C32 H84 F2 Fe5 N4 O46 -","1","0.5","","Kerber, William D.; Goheen, Joshua T.; Perez, Kaitlyn A.; Siegler, Maxime A.","Enhanced Stability of the Fe(II)/Mn(II) State in a Synthetic Model of Heterobimetallic Cofactor Assembly.","Inorganic chemistry","2016","55","2","848","857","10.1021/acs.inorgchem.5b02322","","","0.71073","MoKα","","0.0339","0.031","","","0.0688","0.0719","","","","","","1.052","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344622","8.6642","0.0017","13.636","0.003","16.314","0.003","114.394","0.003","103.191","0.004","90.234","0.004","1698.5","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H47 Fe N3 O7 -","- C34 H47 Fe N3 O7 -","- C68 H94 Fe2 N6 O14 -","2","1","","Delgado, Mayra; Ziegler, Joshua M.; Seda, Takele; Zakharov, Lev N.; Gilbertson, John D.","Pyridinediimine Iron Complexes with Pendant Redox-Inactive Metals Located in the Secondary Coordination Sphere.","Inorganic chemistry","2016","55","2","555","557","10.1021/acs.inorgchem.5b02544","","","0.71073","MoKα","","0.0962","0.0575","","","0.1331","0.1565","","","","","","1.006","","","","has coordinates","175531","2020-10-21","18:00:00",""
"4344623","18.4136","0.0013","13.6524","0.0009","16.8854","0.0012","90","","91.165","0.002","90","","4243.9","0.5","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C35 H48 Cl2 F6 Fe N3 Na O7 P -","- C35 H48 Cl2 F6 Fe N3 Na O7 P -","- C140 H192 Cl8 F24 Fe4 N12 Na4 O28 P4 -","4","1","","Delgado, Mayra; Ziegler, Joshua M.; Seda, Takele; Zakharov, Lev N.; Gilbertson, John D.","Pyridinediimine Iron Complexes with Pendant Redox-Inactive Metals Located in the Secondary Coordination Sphere.","Inorganic chemistry","2016","55","2","555","557","10.1021/acs.inorgchem.5b02544","","","0.71073","MoKα","","0.1045","0.0653","","","0.167","0.2048","","","","","","1.043","","","","has coordinates","175531","2020-10-21","18:00:00",""
"4344624","16.879","0.005","15.8","0.005","16.933","0.006","90","","115.586","0.008","90","","4073","2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 F6 Fe Li N3 O7.5 P -","- C34 H47 F6 Fe Li N3 O7 P -","- C136 H188 F24 Fe4 Li4 N12 O28 P4 -","4","1","","Delgado, Mayra; Ziegler, Joshua M.; Seda, Takele; Zakharov, Lev N.; Gilbertson, John D.","Pyridinediimine Iron Complexes with Pendant Redox-Inactive Metals Located in the Secondary Coordination Sphere.","Inorganic chemistry","2016","55","2","555","557","10.1021/acs.inorgchem.5b02544","","","0.71073","MoKα","","0.1111","0.0848","","","0.2366","0.2583","","","","","","1.023","","","","has coordinates","175531","2020-10-21","18:00:00",""
"4344625","22.8161","0.001","22.8161","0.001","14.7211","0.0008","90","","90","","120","","6636.7","0.5","100","1","100","1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H69 N3 O6 -","- C48 H69 N3 O6 -","- C288 H414 N18 O36 -","6","0.333333","","Kim, Jee Eon; Bogart, Justin A.; Carroll, Patrick J.; Schelter, Eric J.","Rare Earth Metal Complexes of Bidentate Nitroxide Ligands: Synthesis and Electrochemistry.","Inorganic chemistry","2016","55","2","775","784","10.1021/acs.inorgchem.5b02236","","","0.71073","MoKα","","0.0621","0.0426","","","0.0956","0.1055","","","","","","1.012","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344626","11.5266","0.0003","17.3016","0.0005","21.0553","0.0006","93.074","0.002","93.705","0.002","98.827","0.002","4132","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H86 Ce N6 O6 -","- C72 H86 Ce N6 O6 -","- C144 H172 Ce2 N12 O12 -","2","1","","Kim, Jee Eon; Bogart, Justin A.; Carroll, Patrick J.; Schelter, Eric J.","Rare Earth Metal Complexes of Bidentate Nitroxide Ligands: Synthesis and Electrochemistry.","Inorganic chemistry","2016","55","2","775","784","10.1021/acs.inorgchem.5b02236","","","0.71073","MoKα","","0.0799","0.0708","","","0.1783","0.1845","","","","","","1.06","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344627","12.1223","0.0005","24.8418","0.001","28.159","0.0011","65.602","0.002","80.124","0.002","77.713","0.002","7512.3","0.5","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C303 H383 K4 N23 O40 Pr4 -","- C303 H383 K4 N23 O40 Pr4 -","- C303 H383 K4 N23 O40 Pr4 -","1","0.5","","Kim, Jee Eon; Bogart, Justin A.; Carroll, Patrick J.; Schelter, Eric J.","Rare Earth Metal Complexes of Bidentate Nitroxide Ligands: Synthesis and Electrochemistry.","Inorganic chemistry","2016","55","2","775","784","10.1021/acs.inorgchem.5b02236","","","0.71073","MoKα","","0.0919","0.0839","","","0.204","0.2098","","","","","","1.061","","","","has coordinates,has disorder","301840","2025-08-20","23:44:59",""
"4344628","12.7775","0.0005","13.3437","0.0005","19.6456","0.0007","82.354","0.002","78.333","0.002","70.19","0.002","3078.7","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C63 H87 K N4 O8 Pr -","- C63 H87 K N4 O8 Pr -","- C126 H174 K2 N8 O16 Pr2 -","2","1","","Kim, Jee Eon; Bogart, Justin A.; Carroll, Patrick J.; Schelter, Eric J.","Rare Earth Metal Complexes of Bidentate Nitroxide Ligands: Synthesis and Electrochemistry.","Inorganic chemistry","2016","55","2","775","784","10.1021/acs.inorgchem.5b02236","","","0.71073","MoKα","","0.0388","0.0353","","","0.0849","0.0881","","","","","","1.11","","","","has coordinates,has disorder","301840","2025-08-20","23:44:59",""
"4344629","12.804","0.002","13","0.002","38.505","0.006","92.574","0.009","95.787","0.009","106.729","0.009","6088.3","1.7","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C63 H87 K N4 O8 Tb -","- C63 H87 K N4 O8 Tb -","- C252 H348 K4 N16 O32 Tb4 -","4","2","","Kim, Jee Eon; Bogart, Justin A.; Carroll, Patrick J.; Schelter, Eric J.","Rare Earth Metal Complexes of Bidentate Nitroxide Ligands: Synthesis and Electrochemistry.","Inorganic chemistry","2016","55","2","775","784","10.1021/acs.inorgchem.5b02236","","","0.71073","MoKα","","0.1981","0.1713","","","0.404","0.4214","","","","","","1.207","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4344630","11.4328","0.0004","18.0611","0.0006","23.3466","0.0009","90","","92.092","0.002","90","","4817.6","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H62 Cl2 N4 O4 Tb -","- C53 H62 Cl2 N4 O4 Tb -","- C212 H248 Cl8 N16 O16 Tb4 -","4","1","","Kim, Jee Eon; Bogart, Justin A.; Carroll, Patrick J.; Schelter, Eric J.","Rare Earth Metal Complexes of Bidentate Nitroxide Ligands: Synthesis and Electrochemistry.","Inorganic chemistry","2016","55","2","775","784","10.1021/acs.inorgchem.5b02236","","","0.71073","MoKα","","0.0978","0.0656","","","0.1483","0.1635","","","","","","1.135","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344631","12.0432","0.0004","24.8248","0.001","28.1632","0.0011","65.892","0.002","79.805","0.002","77.654","0.002","7469.8","0.5","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C301 H381 K4 N25 O40 Tb4 -","- C301 H381 K4 N25 O40 Tb4 -","- C301 H381 K4 N25 O40 Tb4 -","1","0.5","","Kim, Jee Eon; Bogart, Justin A.; Carroll, Patrick J.; Schelter, Eric J.","Rare Earth Metal Complexes of Bidentate Nitroxide Ligands: Synthesis and Electrochemistry.","Inorganic chemistry","2016","55","2","775","784","10.1021/acs.inorgchem.5b02236","","","0.71073","MoKα","","0.0634","0.0485","","","0.1354","0.1459","","","","","","1.041","","","","has coordinates,has disorder","175532","2020-10-21","18:00:00",""
"4344632","9.7444","0.0009","9.2402","0.0008","10.0183","0.0009","90","","110.145","0.001","90","","846.87","0.13","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C4.67 H4.67 Co0.33 N0.67 O2.33 P0.67 S0.33 -","- C4.66667 H4.66667 Co0.333333 N0.666667 O2.33333 P0.666667 S0.333333 -","- C28 H28 Co2 N4 O14 P4 S2 -","6","3","","Gao, Chao-Ying; Wang, Fei; Tian, Hong-Rui; Li, Lei-Jiao; Zhang, Jian; Sun, Zhong-Ming","Particular Handedness Excess through Symmetry-Breaking Crystallization of a 3D Cobalt Phosphonate.","Inorganic chemistry","2016","55","2","537","539","10.1021/acs.inorgchem.5b02187","","","0.71073","MoKα","","0.0235","0.0225","","","0.0539","0.0543","","","","","","1.085","","","","has coordinates","175533","2020-10-21","18:00:00",""
"4344633","10.507","0.002","7.436","0.002","10.773","0.002","90","","90","","90","","841.7","0.3","293","2","293","2","","","","","","","","4","C m c e","-C 2ac 2","64","Gallium borate","Ga2B3O7(OH)","","- B3 Ga2 H O8 -","- B3 Ga2 O8 -","- B24 Ga16 O64 -","8","0.5","","Vitzthum, Daniela; Schauperl, Michael; Strabler, Christof M.; Brüggeller, Peter; Liedl, Klaus R.; Griesser, Ulrich J.; Huppertz, Hubert","New High-Pressure Gallium Borate Ga2B3O7(OH) with Photocatalytic Activity.","Inorganic chemistry","2016","55","2","676","681","10.1021/acs.inorgchem.5b02027","","","0.71073","MoKα","","0.029","0.0274","","","0.0766","0.0774","","","","","","1.145","","","","has coordinates","175534","2020-10-21","18:00:00",""
"4344634","22.9479","0.0006","18.895","0.0006","18.6299","0.0005","90","","90.928","0.002","90","","8076.9","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H31.5 F1.5 Fe2 N4 O6 S2 -","- C36 H29 F Fe2 N4 O6 S2 -","- C288 H232 F8 Fe16 N32 O48 S16 -","8","1","","Durgaprasad, Gummadi; Xie, Zhu-Lin; Rose, Michael J.","Iron Hydride Detection and Intramolecular Hydride Transfer in a Synthetic Model of Mono-Iron Hydrogenase with a CNS Chelate.","Inorganic chemistry","2016","55","2","386","389","10.1021/acs.inorgchem.5b01733","","","1.5418","CuKα","","0.055","0.0414","","","0.1002","0.1056","","","","","","1.193","","","","has coordinates,has disorder","175535","2020-10-21","18:00:00",""
"4344635","14.1826","0.0006","20.0251","0.0008","17.0084","0.0008","90","","98.358","0.001","90","","4779.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H50 Fe N2 O2 P2 -","- C61 H50 Fe N2 O2 P2 -","- C244 H200 Fe4 N8 O8 P8 -","4","1","","Durgaprasad, Gummadi; Xie, Zhu-Lin; Rose, Michael J.","Iron Hydride Detection and Intramolecular Hydride Transfer in a Synthetic Model of Mono-Iron Hydrogenase with a CNS Chelate.","Inorganic chemistry","2016","55","2","386","389","10.1021/acs.inorgchem.5b01733","","","0.71075","MoKα","","0.0519","0.0399","","","0.0849","0.09","","","","","","1.065","","","","has coordinates","175535","2020-10-21","18:00:00",""
"4344636","12.7716","0.0009","16.7649","0.0012","17.7755","0.0012","101.786","0.001","90.048","0.001","97.417","0.001","3693.1","0.4","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C69 H49 B F24 Fe2 N2 O4 P2 S2 -","- C69 H49 B F24 Fe2 N2 O4 P2 S2 -","- C138 H98 B2 F48 Fe4 N4 O8 P4 S4 -","2","1","","Zheng, Dehua; Wang, Mei; Wang, Ning; Cheng, Minglun; Sun, Licheng","Effect of Bridgehead Steric Bulk on the Intramolecular C-H Heterolysis of [FeFe]-Hydrogenase Active Site Models Containing a P2N2 Pendant Amine Ligand.","Inorganic chemistry","2016","55","2","411","418","10.1021/acs.inorgchem.5b00923","","","0.71073","MoKα","","0.1285","0.0866","","","0.2556","0.2801","","","","","","1.078","","","","has coordinates,has disorder","175536","2020-10-21","18:00:00",""
"4344637","13.0997","0.0013","17.3147","0.0016","21.0259","0.0019","111.2","0.006","107.729","0.006","91.89","0.007","4179.8","0.7","296","2","296","2","","","","","","","","10","P -1","-P 1","2","","","","- C75 H61 B Cl4 F24 Fe2 N2 O4 P2 S2 -","- C75 H61 B Cl4 F24 Fe2 N2 O4 P2 S2 -","- C150 H122 B2 Cl8 F48 Fe4 N4 O8 P4 S4 -","2","1","","Zheng, Dehua; Wang, Mei; Wang, Ning; Cheng, Minglun; Sun, Licheng","Effect of Bridgehead Steric Bulk on the Intramolecular C-H Heterolysis of [FeFe]-Hydrogenase Active Site Models Containing a P2N2 Pendant Amine Ligand.","Inorganic chemistry","2016","55","2","411","418","10.1021/acs.inorgchem.5b00923","","","0.71073","MoKα","","0.2173","0.1113","","","0.294","0.3415","","","","","","1","","","","has coordinates","175537","2020-10-21","18:00:00",""
"4344638","14.066","0.0003","17.9329","0.0003","16.3025","0.0004","90","","101.448","0.001","90","","4030.4","0.15","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 Cl2 Fe2 N2 O4 P2 S2 -","- C38 H40 Cl2 Fe2 N2 O4 P2 S2 -","- C152 H160 Cl8 Fe8 N8 O16 P8 S8 -","4","1","","Zheng, Dehua; Wang, Mei; Wang, Ning; Cheng, Minglun; Sun, Licheng","Effect of Bridgehead Steric Bulk on the Intramolecular C-H Heterolysis of [FeFe]-Hydrogenase Active Site Models Containing a P2N2 Pendant Amine Ligand.","Inorganic chemistry","2016","55","2","411","418","10.1021/acs.inorgchem.5b00923","","","0.71073","MoKα","","0.0479","0.0363","","","0.0922","0.0969","","","","","","1.06","","","","has coordinates","175538","2020-10-21","18:00:00",""
"4344639","18.1015","0.0009","18.1158","0.0009","23.999","0.0012","90","","90","","90","","7869.8","0.7","110","","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H42 Fe2 N2 O4 P2 S2 -","- C39 H42 Fe2 N2 O4 P2 S2 -","- C312 H336 Fe16 N16 O32 P16 S16 -","8","1","","Zheng, Dehua; Wang, Mei; Wang, Ning; Cheng, Minglun; Sun, Licheng","Effect of Bridgehead Steric Bulk on the Intramolecular C-H Heterolysis of [FeFe]-Hydrogenase Active Site Models Containing a P2N2 Pendant Amine Ligand.","Inorganic chemistry","2016","55","2","411","418","10.1021/acs.inorgchem.5b00923","","x-ray","0.71073","MoKα","","0.102","0.0472","","","0.0937","0.1122","","","","","","0.991","","","","has coordinates,has disorder","175539","2020-10-21","18:00:00",""
"4344640","12.7976","0.0013","13.3807","0.0013","13.8252","0.0014","96.816","0.002","106.05","0.002","117.22","0.002","1938.2","0.3","296","2","296","2","","","","","","","","10","P 1","P 1","1","","","","- C72 H55 B Cl2 F24 Fe2 N2 O4 P2 S2 -","- C72 H55 B Cl2 F24 Fe2 N2 O4 P2 S2 -","- C72 H55 B Cl2 F24 Fe2 N2 O4 P2 S2 -","1","1","","Zheng, Dehua; Wang, Mei; Wang, Ning; Cheng, Minglun; Sun, Licheng","Effect of Bridgehead Steric Bulk on the Intramolecular C-H Heterolysis of [FeFe]-Hydrogenase Active Site Models Containing a P2N2 Pendant Amine Ligand.","Inorganic chemistry","2016","55","2","411","418","10.1021/acs.inorgchem.5b00923","","","0.71073","MoKα","","0.0508","0.0434","","","0.1133","0.1203","","","","","","1.073","","","","has coordinates,has disorder","175540","2020-10-21","18:00:00",""
"4344641","14.354","0.008","10.238","0.005","17.524","0.009","90","","91.551","0.009","90","","2574","2","295","1","295","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl4 N2 O4 V -","- C24 H22 Cl4 N2 O4 V -","- C96 H88 Cl16 N8 O16 V4 -","4","1","","Reytman, Lilia; Braitbard, Ori; Hochman, Jacob; Tshuva, Edit Y.","Highly Effective and Hydrolytically Stable Vanadium(V) Amino Phenolato Antitumor Agents.","Inorganic chemistry","2016","55","2","610","618","10.1021/acs.inorgchem.5b02519","","","0.71073","MoKα","","0.1063","0.0999","","","0.1986","0.202","","","","","","1.297","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344642","22.2497","0.0007","7.3225","0.0002","7.1209","0.0002","90","","106.633","0.004","90","","1111.62","0.06","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H11 Fe N2 O10 P2 -","- C3 H11 Fe N2 O10 P2 -","- C12 H44 Fe4 N8 O40 P8 -","4","0.5","","Su, Xuelian; Yao, Zizhu; Ye, Yingxiang; Zeng, Heng; Xu, Gang; Wu, Ling; Ma, Xiuling; Chen, Qian-Huo; Wang, Lihua; Zhang, Zhangjing; Xiang, Shengchang","40-Fold Enhanced Intrinsic Proton Conductivity in Coordination Polymers with the Same Proton-Conducting Pathway by Tuning Metal Cation Nodes.","Inorganic chemistry","2016","55","2","983","986","10.1021/acs.inorgchem.5b02686","","","1.54184","CuKα","","0.039","0.0384","","","0.1175","0.1185","","","","","","1.078","","","","has coordinates","175542","2020-10-21","18:00:00",""
"4344643","9.098","0.005","11.717","0.005","14.371","0.005","87.015","0.005","80.229","0.005","86.041","0.005","1504.9","1.2","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C15 H35 O28 Sm2 -","- C15 H3 O28 Sm2 -","- C30 H6 O56 Sm4 -","2","1","","Freslon, Stéphane; Luo, Yun; Daiguebonne, Carole; Calvez, Guillaume; Bernot, Kevin; Guillou, Olivier","Brightness and Color Tuning in a Series of Lanthanide-Based Coordination Polymers with Benzene-1,2,4,5-tetracarboxylic Acid as a Ligand.","Inorganic chemistry","2016","55","2","794","802","10.1021/acs.inorgchem.5b02242","","x-ray","0.71073","MoKα","","0.054","0.0459","","","0.1179","0.1353","","","","","","1.242","","","","has coordinates","190336","2020-10-21","18:00:00",""
"4344644","8.958","0.002","9.063","0.002","14.401","0.004","94.943","0.005","91.17","0.004","98.95","0.004","1150","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Eu N4 O8 S -","- C24 H19 Eu N4 O8 S -","- C48 H38 Eu2 N8 O16 S2 -","2","1","","An, Ran; Zhao, Hui; Hu, Huai-Ming; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Synthesis, Structure, White-Light Emission, and Temperature Recognition Properties of Eu/Tb Mixed Coordination Polymers.","Inorganic chemistry","2016","55","2","871","876","10.1021/acs.inorgchem.5b02375","","","0.71073","MoKα","","0.0345","0.0305","","","0.0642","0.0665","","","","","","1.023","","","","has coordinates","175544","2020-10-21","18:00:00",""
"4344645","8.2233","0.0009","14.9061","0.0017","20.75","0.002","90","","98.766","0.002","90","","2513.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Eu N4 O9 S -","- C24 H17 Eu N4 O9 S -","- C96 H68 Eu4 N16 O36 S4 -","4","1","","An, Ran; Zhao, Hui; Hu, Huai-Ming; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Synthesis, Structure, White-Light Emission, and Temperature Recognition Properties of Eu/Tb Mixed Coordination Polymers.","Inorganic chemistry","2016","55","2","871","876","10.1021/acs.inorgchem.5b02375","","","0.71073","MoKα","","0.0379","0.03","","","0.0655","0.069","","","","","","1.025","","","","has coordinates","175545","2020-10-21","18:00:00",""
"4344646","8.1835","0.0009","14.8938","0.0017","20.816","0.002","90","","98.721","0.002","90","","2507.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 N8 O18 S2 Tb2 -","- C48 H34 N8 O18 S2 Tb2 -","- C96 H68 N16 O36 S4 Tb4 -","2","0.5","","An, Ran; Zhao, Hui; Hu, Huai-Ming; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Synthesis, Structure, White-Light Emission, and Temperature Recognition Properties of Eu/Tb Mixed Coordination Polymers.","Inorganic chemistry","2016","55","2","871","876","10.1021/acs.inorgchem.5b02375","","","0.71073","MoKα","","0.0406","0.0302","","","0.0629","0.0671","","","","","","1.019","","","","has coordinates","175546","2020-10-21","18:00:00",""
"4344647","8.9396","0.0014","9.0617","0.0014","14.447","0.002","94.593","0.002","91.047","0.003","98.524","0.002","1153.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 N4 O8 S Tb -","- C24 H19 N4 O8 S Tb -","- C48 H38 N8 O16 S2 Tb2 -","2","1","","An, Ran; Zhao, Hui; Hu, Huai-Ming; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Synthesis, Structure, White-Light Emission, and Temperature Recognition Properties of Eu/Tb Mixed Coordination Polymers.","Inorganic chemistry","2016","55","2","871","876","10.1021/acs.inorgchem.5b02375","","","0.71073","MoKα","","0.0388","0.0321","","","0.0654","0.0686","","","","","","1.033","","","","has coordinates","175547","2020-10-21","18:00:00",""
"4344648","15.457","0.005","11.681","0.004","17.374","0.006","90","","90","","90","","3136.9","1.8","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H13 Mn N8 O -","- C13 H13 Mn N8 O -","- C104 H104 Mn8 N64 O8 -","8","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71069","MoKα","","","0.0334","","","","0.0784","","","","","","1.034","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344649","11.942","0.002","11.0651","0.0019","23.555","0.004","90","","90","","90","","3112.5","0.9","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H32 Co N12 O2 -","- C26 H32 Co N12 O2 -","- C104 H128 Co4 N48 O8 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71069","MoKα","","","0.0619","","","","0.1618","","","","","","1.033","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344650","11.892","0.005","11.012","0.004","23.526","0.009","90","","90","","90","","3081","2","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H32 N12 Ni O2 -","- C26 H32 N12 Ni O2 -","- C104 H128 N48 Ni4 O8 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71069","MoKα","","","0.0381","","","","0.1026","","","","","","1.031","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344651","11.9299","","10.133","","23.6346","","90","","90","","90","","2857.08","","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H26 N10 Ni O2 -","- C22 H26 N10 Ni O2 -","- C88 H104 N40 Ni4 O8 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71075","MoKα","","0.1531","0.078","","","0.1694","0.2036","","","","","","0.988","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344652","7.204","0.002","10.191","0.003","12.924","0.004","81.625","0.003","74.034","0.003","85.718","0.003","901.9","0.5","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 Cu N9 O -","- C15 H16 Cu N9 O -","- C30 H32 Cu2 N18 O2 -","2","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71069","MoKα","","0.0565","0.0511","","","0.1467","0.1572","","","","","","1.179","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344653","22.121","0.004","9.5192","0.0014","11.4148","0.0017","90","","103.333","0.002","90","","2338.9","0.6","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cu N8 O5 -","- C20 H26 Cu N8 O5 -","- C80 H104 Cu4 N32 O20 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71069","MoKα","","","0.0277","","","","0.0785","","","","","","1.046","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344654","20.762","0.004","11.881","0.003","12.58","0.003","90","","94.434","0.003","90","","3093.9","1.2","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N12 O2 Zn -","- C26 H32 N12 O2 Zn -","- C104 H128 N48 O8 Zn4 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71075","MoKα","","0.1069","0.0986","","","0.2528","0.2562","","","","","","1.23","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344655","11.899","0.002","11.027","0.002","23.538","0.005","90","","90","","90","","3088.4","1","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H32 N12 O2 Zn -","- C25.9998 H32 N12 O2 Zn -","- C103.999 H128 N48 O8 Zn4 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71069","MoKα","","0.0785","0.0638","","","0.1739","0.1867","","","","","","1.036","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344656","12.0042","","10.037","","23.7718","","90","","90","","90","","2864.17","","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H26 N10 O2 Zn -","- C22 H26 N10 O2 Zn -","- C88 H104 N40 O8 Zn4 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71075","MoKα","","0.1015","0.0643","","","0.165","0.1894","","","","","","1.058","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344657","12.0506","0.0017","10.0032","0.0015","23.774","0.003","90","","90","","90","","2865.8","0.7","223","","223","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H26 Co N10 O2 -","- C22 H26 Co N10 O2 -","- C88 H104 Co4 N40 O8 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71075","MoKα","","0.0774","0.0508","","","0.1434","0.1601","","","","","","1.088","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344658","12.4818","0.0004","18.3289","0.0006","14.3622","0.0003","90","","97.549","0.002","90","","3257.27","0.16","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Br K N2 O10 U -","- C30 H32 Br K N2 O10 U -","- C120 H128 Br4 K4 N8 O40 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0822","0.0441","","","0.0788","0.0925","","","","","","1.046","","","","has coordinates","175549","2020-10-21","18:00:00",""
"4344659","16.8727","0.0006","14.6233","0.0003","17.8452","0.0006","90","","111.992","0.001","90","","4082.6","0.2","123","2","123.15","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C36 H41 Cl Cs N5 O10 U -","- C36 H41 Cl Cs N5 O10 U -","- C144 H164 Cl4 Cs4 N20 O40 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0576","0.0352","","","0.0675","0.0755","","","","","","1.026","","","","has coordinates","175550","2020-10-21","18:00:00",""
"4344660","13.55643","0.00015","55.9218","0.0009","25.9826","0.0005","90","","91.3064","0.0012","90","","19692.3","0.5","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C166 H196 Br5 N18 Na5 O58 U5 -","- C166 H196 Br5 N18 Na5 O58 U5 -","- C664 H784 Br20 N72 Na20 O232 U20 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0805","0.0635","","","0.1115","0.1171","","","","","","1.139","","","","has coordinates,has disorder","175551","2020-10-21","18:00:00",""
"4344661","10.7636","0.0003","19.3246","0.0005","20.1849","0.0006","77.055","0.002","87.563","0.002","76.618","0.002","3980.5","0.2","123.01","0.1","123.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C67 H84 I2 K2 N7.5 O25.5 U2 -","- C67 H84 I2 K2 N7.5 O25.5 U2 -","- C134 H168 I4 K4 N15 O51 U4 -","2","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0371","0.0305","","","0.0702","0.0738","","","","","","1.029","","","","has coordinates,has disorder","175552","2020-10-21","18:00:00",""
"4344662","15.6623","0.0002","16.1742","0.0002","15.9467","0.0002","90","","111.513","0.001","90","","3758.27","0.09","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H42 Br N5 O10 U -","- C34 H42 Br N5 O10 U -","- C136 H168 Br4 N20 O40 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0803","0.0404","","","0.0785","0.0991","","","","","","1.112","","","","has coordinates","175553","2020-10-21","18:00:00",""
"4344663","21.3355","0.0002","24.9757","0.0003","31.4697","0.0004","90","","90","","90","","16769.2","0.3","123.15","","123.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H52 F N2 Na O15.5 U -","- C35 H52 F N2 Na O15.5 U -","- C560 H832 F16 N32 Na16 O248 U16 -","16","2","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0841","0.0466","","","0.0834","0.0959","","","","","","1.035","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4344664","8.02121","0.00018","32.1044","0.0011","25.8906","0.0006","90","","97.497","0.002","90","","6610.3","0.3","170","","170","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 Br N2 Na O10 U -","- C28.5 H31 Br N2 Na O10 U -","- C228 H248 Br8 N16 Na8 O80 U8 -","8","2","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0741","0.0612","","","0.1566","0.1674","","","","","","1.069","","","","has coordinates,has disorder","301840","2025-08-20","23:44:59",""
"4344665","15.938","0.0003","15.887","0.0002","15.9668","0.0003","90","","113.099","0.002","90","","3718.78","0.12","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H36.5 Cl N3.5 O10 Rb U -","- C33 H36.5 Cl N3.5 O10 Rb U -","- C132 H146 Cl4 N14 O40 Rb4 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0355","0.0282","","","0.0703","0.0744","","","","","","1.021","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344666","14.4915","0.0002","16.7088","0.0002","15.9434","0.0002","90","","101.521","0.0015","90","","3782.68","0.09","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38.8 Cs F N2 O11 S1.6 U -","- C32 H38.8 Cs F N2 O11 S1.6 U -","- C128 H155.2 Cs4 F4 N8 O44 S6.4 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0328","0.0281","","","0.0622","0.0645","","","","","","1.05","","","","has coordinates,has disorder","175557","2020-10-21","18:00:00",""
"4344667","26.8748","0.0007","7.85585","0.00016","31.2173","0.0007","90","","90","","90","","6590.7","0.3","170","","170","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H38 N2 O12 S U -","- C30 H38 N2 O12 S U -","- C240 H304 N16 O96 S8 U8 -","8","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0369","0.0248","","","0.0493","0.0534","","","","","","1.062","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344668","24.2244","0.001","17.157","0.0011","8.0439","0.0005","90","","108.615","0.004","90","","3168.3","0.3","123","","123","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H38 N2 O13 U -","- C30 H38 N2 O13 U -","- C120 H152 N8 O52 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0337","0.0261","","","0.0563","0.059","","","","","","1.044","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344669","12.0489","0.0002","18.5382","0.0003","16.2273","0.0003","90","","94.06","0.001","90","","3615.51","0.11","123","2","123.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H43 K N2 O14 U -","- C34 H43 K N2 O14 U -","- C136 H172 K4 N8 O56 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0356","0.0268","","","0.0524","0.0552","","","","","","1.036","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344670","15.36","0.0007","16.1948","0.0006","15.6551","0.0007","90","","113.516","0.002","90","","3570.8","0.3","123","2","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33.5 H38.5 F K N3.5 O10.5 U -","- C33.5 H38.5 F K N3.5 O10.5 U -","- C134 H154 F4 K4 N14 O42 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0542","0.0349","","","0.0736","0.0821","","","","","","1.017","","","","has coordinates,has disorder","175561","2020-10-21","18:00:00",""
"4344671","10.5154","0.0002","12.9926","0.0002","31.2989","0.0005","94.453","0.001","97.533","0.001","112.139","0.001","3888.91","0.12","123","2","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C66.8 H93.6 Br2 N4 Na2 O28 U2 -","- C66.8 H93.6 Br2 N4 Na2 O28 U2 -","- C133.6 H187.2 Br4 N8 Na4 O56 U4 -","2","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0477","0.0386","","","0.0855","0.089","","","","","","1.129","","","","has coordinates,has disorder","175562","2020-10-21","18:00:00",""
"4344672","8.2027","0.0002","18.5028","0.0005","22.9036","0.0005","90","","93.01","0.001","90","","3471.35","0.15","123","2","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 I N3 Na O11 U -","- C32 H37 I N3 Na O11 U -","- C128 H148 I4 N12 Na4 O44 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","x-ray","0.71073","MoKα","","0.0448","0.0312","","","0.0591","0.0637","","","","","","1.03","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344673","14.3212","0.0002","16.7621","0.0002","15.863","0.0002","90","","102.421","0.0013","90","","3718.84","0.08","170","","170","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39.55 F N2 O11 Rb S1.5 U -","- C32 H39.55 F N2 O11 Rb S1.5 U -","- C128 H158.2 F4 N8 O44 Rb4 S6 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0366","0.0316","","","0.0768","0.0793","","","","","","1.053","","","","has coordinates,has disorder","175564","2020-10-21","18:00:00",""
"4344674","16.929","0.0003","18.4658","0.0003","23.7388","0.0005","90","","101.62","0.002","90","","7268.8","0.2","170","","170","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C28 H36.5 Cl Li N2 O14.25 U -","- C28 H36.5 Cl Li N2 O14.25 U -","- C224 H292 Cl8 Li8 N16 O114 U8 -","8","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0343","0.0266","","","0.0639","0.0666","","","","","","1.063","","","","has coordinates,has disorder","175565","2020-10-21","18:00:00",""
"4344675","12.4425","0.0003","18.353","0.0003","14.3229","0.0004","90","","98.912","0.001","90","","3231.25","0.13","173.15","","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Cl K N2 O10 U -","- C30 H32 Cl K N2 O10 U -","- C120 H128 Cl4 K4 N8 O40 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0483","0.0316","","","0.064","0.0704","","","","","","1.05","","","","has coordinates","175566","2020-10-21","18:00:00",""
"4344676","14.6788","0.0003","26.8778","0.0004","16.5218","0.0004","90","","103.995","0.002","90","","6324.9","0.2","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56.5 H71 N4 O25.5 U2 -","- C56.5 H71 N4 O25.5 U2 -","- C226 H284 N16 O102 U8 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0589","0.0396","","","0.0897","0.1003","","","","","","1.049","","","","has coordinates,has disorder","175567","2020-10-21","18:00:00",""
"4344677","10.7194","0.0003","12.3082","0.0002","16.2806","0.0005","89.4044","0.0019","88.005","0.003","82.382","0.002","2127.72","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H69 Ca N3 O Si2 -","- C39 H69 Ca N3 O Si2 -","- C78 H138 Ca2 N6 O2 Si4 -","2","1","","Basalov, Ivan V.; Yurova, Olga S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Amido Ln(II) Complexes Coordinated by Bi- and Tridentate Amidinate Ligands: Nonconventional Coordination Modes of Amidinate Ligands and Catalytic Activity in Intermolecular Hydrophosphination of Styrenes and Tolane.","Inorganic chemistry","2016","55","3","1236","1244","10.1021/acs.inorgchem.5b02450","","","0.71073","MoKα","","0.0749","0.0496","","","0.1288","0.1387","","","","","","1.031","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344678","18.2022","0.0013","12.1697","0.0009","16.9441","0.0013","90","","99.999","0.002","90","","3696.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H61 N3 Si2 Sm -","- C35 H61 N3 Si2 Sm -","- C140 H244 N12 Si8 Sm4 -","4","1","","Basalov, Ivan V.; Yurova, Olga S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Amido Ln(II) Complexes Coordinated by Bi- and Tridentate Amidinate Ligands: Nonconventional Coordination Modes of Amidinate Ligands and Catalytic Activity in Intermolecular Hydrophosphination of Styrenes and Tolane.","Inorganic chemistry","2016","55","3","1236","1244","10.1021/acs.inorgchem.5b02450","","","0.71073","MoKα","","0.0417","0.0324","","","0.0811","0.0844","","","","","","0.991","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344679","10.5925","0.0004","10.7876","0.0004","19.3412","0.0008","104.302","0.001","93.954","0.001","98.888","0.001","2102.57","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H67 I N2 O3 Sm -","- C41.0006 H67.0014 I N2 O3 Sm -","- C82.0012 H134.003 I2 N4 O6 Sm2 -","2","1","","Basalov, Ivan V.; Yurova, Olga S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Amido Ln(II) Complexes Coordinated by Bi- and Tridentate Amidinate Ligands: Nonconventional Coordination Modes of Amidinate Ligands and Catalytic Activity in Intermolecular Hydrophosphination of Styrenes and Tolane.","Inorganic chemistry","2016","55","3","1236","1244","10.1021/acs.inorgchem.5b02450","","","0.71073","MoKα","","0.0426","0.0328","","","0.0847","0.0883","","","","","","1.072","","","","has coordinates,has disorder","175568","2020-10-21","18:00:00",""
"4344680","10.8336","0.0008","12.3858","0.001","16.2401","0.0011","89.263","0.003","88.32","0.002","81.566","0.002","2154.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H69 N3 O Si2 Yb -","- C39 H69 N3 O Si2 Yb -","- C78 H138 N6 O2 Si4 Yb2 -","2","1","","Basalov, Ivan V.; Yurova, Olga S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Amido Ln(II) Complexes Coordinated by Bi- and Tridentate Amidinate Ligands: Nonconventional Coordination Modes of Amidinate Ligands and Catalytic Activity in Intermolecular Hydrophosphination of Styrenes and Tolane.","Inorganic chemistry","2016","55","3","1236","1244","10.1021/acs.inorgchem.5b02450","","","0.71073","MoKα","","0.0607","0.0391","","","0.0667","0.0704","","","","","","0.824","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344681","20.4444","0.0004","10.44","0.0002","17.8845","0.0003","90","","99.7015","0.0016","90","","3762.67","0.12","446","2","446","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H59 N3 O2 Si2 Sm -","- C34 H59 N3 O2 Si2 Sm -","- C136 H236 N12 O8 Si8 Sm4 -","4","1","","Basalov, Ivan V.; Yurova, Olga S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Amido Ln(II) Complexes Coordinated by Bi- and Tridentate Amidinate Ligands: Nonconventional Coordination Modes of Amidinate Ligands and Catalytic Activity in Intermolecular Hydrophosphination of Styrenes and Tolane.","Inorganic chemistry","2016","55","3","1236","1244","10.1021/acs.inorgchem.5b02450","","","0.71073","MoKα","","0.0512","0.0319","","","0.0578","0.0616","","","","","","1.014","","","","has coordinates,has disorder","301840","2025-08-20","23:45:00",""
"4344682","9.00597","0.00012","13.50046","0.00018","18.7364","0.0002","97.5611","0.001","101.462","0.0011","106.361","0.0012","2099.17","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H57 N3 O P Si2 Yb -","- C40 H57 N3 O P Si2 Yb -","- C80 H114 N6 O2 P2 Si4 Yb2 -","2","1","","Basalov, Ivan V.; Yurova, Olga S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Amido Ln(II) Complexes Coordinated by Bi- and Tridentate Amidinate Ligands: Nonconventional Coordination Modes of Amidinate Ligands and Catalytic Activity in Intermolecular Hydrophosphination of Styrenes and Tolane.","Inorganic chemistry","2016","55","3","1236","1244","10.1021/acs.inorgchem.5b02450","","","0.71073","MoKα","","0.0371","0.0275","","","0.057","0.0592","","","","","","1.017","","","","has coordinates,has disorder","301840","2025-08-20","23:45:00",""
"4344683","4.3218","0.0005","11.4472","0.0014","22.914","0.003","90","","90","","90","","1133.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 N3 S -","- C13 H11 N3 S -","- C52 H44 N12 S4 -","4","1","","Rahaman, Sk Atiur; Roy, Biswajit; Mandal, Soumik; Bandyopadhyay, Subhajit","A Kamikaze Approach for Capturing Hg(2+) Ions through the Formation of a One-Dimensional Metal-Organometallic Polymer.","Inorganic chemistry","2016","55","3","1069","1075","10.1021/acs.inorgchem.5b02104","","","0.71073","MoKα","","0.0607","0.0531","","","0.1414","0.1462","","","","","","1.142","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344684","8.5385","0.0007","9.5227","0.0008","14.896","0.0012","89.357","0.007","76.775","0.007","85.281","0.007","1175.03","0.17","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Hg2 N3 O6 S -","- C19 H19 Hg2 N3 O6 S -","- C38 H38 Hg4 N6 O12 S2 -","2","1","","Rahaman, Sk Atiur; Roy, Biswajit; Mandal, Soumik; Bandyopadhyay, Subhajit","A Kamikaze Approach for Capturing Hg(2+) Ions through the Formation of a One-Dimensional Metal-Organometallic Polymer.","Inorganic chemistry","2016","55","3","1069","1075","10.1021/acs.inorgchem.5b02104","","x-ray","0.71073","MoKα","","0.1056","0.0773","","","0.1886","0.2015","","","","","","1.093","","","","has coordinates","175569","2020-10-21","18:00:00",""
"4344685","17.4852","0.0006","17.4852","0.0006","19.1052","0.0006","90","","90","","90","","5841.1","0.3","283","2","283","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C108 H136 B4 Co5 N42 -","- C108 H136 B4 Co5 N42 -","- C216 H272 B8 Co10 N84 -","2","0.25","","Werner, Tamas W.; Reschke, Stephan; Bunzen, Hana; von Nidda, Hans-Albrecht Krug; Deisenhofer, Joachim; Loidl, Alois; Volkmer, Dirk","[Co5Tp*4(Me2bta)6]: A Highly Symmetrical Pentanuclear Kuratowski Complex Featuring Tris(pyrazolyl)borate and Benzotriazolate Ligands.","Inorganic chemistry","2016","55","3","1053","1060","10.1021/acs.inorgchem.5b01982","","","0.71073","MoKα","","0.0457","0.0378","","","0.0997","0.1085","","","","","","1.112","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344686","7.9351","0.001","4.8413","0.0007","16.342","0.002","90","","93.72","0.01","90","","626.47","0.14","298","0.2","298","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Al O8 Te2 V -","- Al O8 Te2 V -","- Al4 O32 Te8 V4 -","4","1","","Bae, Su-Whan; Yoo, Jisun; Lee, Suheon; Choi, Kwang Yong; Ok, Kang Min","Synthesis and Characterization of Three New Layered Vanadium Tellurites, MVTe2O8 (M = Al, Ga, and Mn): Three-Dimensional (3-D) Antiferromagnetic Behavior of MnVTe2O8 with a Zigzag S = 2 Spin Chain.","Inorganic chemistry","2016","55","3","1347","1353","10.1021/acs.inorgchem.5b02784","","x-ray","0.71073","MoKα","","0.0855","0.0389","","","0.0567","0.0657","","","","","","0.807","","","","has coordinates","175571","2020-10-21","18:00:00",""
"4344687","7.9198","0.0002","4.9169","0.0001","16.4311","0.0004","90","","93.816","0.002","90","","638.42","0.03","298","0.2","298","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ga O8 Te2 V -","- Ga O8 Te2 V -","- Ga4 O32 Te8 V4 -","4","1","","Bae, Su-Whan; Yoo, Jisun; Lee, Suheon; Choi, Kwang Yong; Ok, Kang Min","Synthesis and Characterization of Three New Layered Vanadium Tellurites, MVTe2O8 (M = Al, Ga, and Mn): Three-Dimensional (3-D) Antiferromagnetic Behavior of MnVTe2O8 with a Zigzag S = 2 Spin Chain.","Inorganic chemistry","2016","55","3","1347","1353","10.1021/acs.inorgchem.5b02784","","x-ray","0.71073","MoKα","","0.0312","0.0242","","","0.0547","0.0564","","","","","","1.024","","","","has coordinates","175571","2020-10-21","18:00:00",""
"4344688","10.052","0.005","17.616","0.005","10.466","0.005","90","","95.319","0.005","90","","1845.3","1.4","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C19 H20 Ag Br N2 -","- C19 H20 Ag Br N2 -","- C76 H80 Ag4 Br4 N8 -","4","1","","Ortiz, Alba M.; Sánchez-Méndez, Alberto; de Jesús, Ernesto; Flores, Juan C.; Gómez-Sal, Pilar; Mendicuti, Francisco","Poly(benzyl ether) Dendrimers Functionalized at the Core with Palladium Bis(N-Heterocyclic Carbene) Complexes as Catalysts for the Heck Coupling Reaction.","Inorganic chemistry","2016","55","3","1304","1314","10.1021/acs.inorgchem.5b02629","","x-ray","0.71069","MoKα","","0.0907","0.0435","","","0.0878","0.0991","","","","","","0.987","","","","has coordinates","276346","2022-06-28","16:25:27",""
"4344689","9.7047","0.0004","10.9618","0.0009","20.715","0.0016","90","","102.546","0.004","90","","2151.1","0.3","200","2","200","2","","","","","","","synthesis as described","5","P 1 n 1","P -2yac","7","","","","- C22 H26 Ag Br N2 -","- C22 H26 Ag Br N2 -","- C88 H104 Ag4 Br4 N8 -","4","2","","Ortiz, Alba M.; Sánchez-Méndez, Alberto; de Jesús, Ernesto; Flores, Juan C.; Gómez-Sal, Pilar; Mendicuti, Francisco","Poly(benzyl ether) Dendrimers Functionalized at the Core with Palladium Bis(N-Heterocyclic Carbene) Complexes as Catalysts for the Heck Coupling Reaction.","Inorganic chemistry","2016","55","3","1304","1314","10.1021/acs.inorgchem.5b02629","","x-ray","0.71073","MoKα","","0.0681","0.0389","","","0.0793","0.0869","","","","","","0.967","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4344690","8.607","0.002","29.518","0.006","15.321","0.003","90","","122.845","0.013","90","","3270.2","1.3","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Ag Br N2 O2 -","- C36 H38 Ag Br N2 O2 -","- C144 H152 Ag4 Br4 N8 O8 -","4","1","","Ortiz, Alba M.; Sánchez-Méndez, Alberto; de Jesús, Ernesto; Flores, Juan C.; Gómez-Sal, Pilar; Mendicuti, Francisco","Poly(benzyl ether) Dendrimers Functionalized at the Core with Palladium Bis(N-Heterocyclic Carbene) Complexes as Catalysts for the Heck Coupling Reaction.","Inorganic chemistry","2016","55","3","1304","1314","10.1021/acs.inorgchem.5b02629","","x-ray","0.71073","MoKα","","0.1105","0.0597","","","0.1221","0.1471","","","","","","1.082","","","","has coordinates","175572","2020-10-21","18:00:00",""
"4344691","15.694","0.014","18.447","0.015","39.27","0.03","90","","89.46","0.07","90","","11368","16","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 Br2 N4 Pd -","- C38 H40 Br2 N4 Pd -","- C456 H480 Br24 N48 Pd12 -","12","3","","Ortiz, Alba M.; Sánchez-Méndez, Alberto; de Jesús, Ernesto; Flores, Juan C.; Gómez-Sal, Pilar; Mendicuti, Francisco","Poly(benzyl ether) Dendrimers Functionalized at the Core with Palladium Bis(N-Heterocyclic Carbene) Complexes as Catalysts for the Heck Coupling Reaction.","Inorganic chemistry","2016","55","3","1304","1314","10.1021/acs.inorgchem.5b02629","","x-ray","0.71073","MoKα","","0.2985","0.1479","","","0.3318","0.4288","","","","","","0.987","","","","has coordinates","175572","2020-10-21","18:00:00",""
"4344692","8.374","0.005","10.292","0.005","11.427","0.005","88.822","0.005","78.895","0.005","68.837","0.005","899.9","0.8","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C38 H40 Br2 N4 Pd -","- C38 H40 Br2 N4 Pd -","- C38 H40 Br2 N4 Pd -","1","0.5","","Ortiz, Alba M.; Sánchez-Méndez, Alberto; de Jesús, Ernesto; Flores, Juan C.; Gómez-Sal, Pilar; Mendicuti, Francisco","Poly(benzyl ether) Dendrimers Functionalized at the Core with Palladium Bis(N-Heterocyclic Carbene) Complexes as Catalysts for the Heck Coupling Reaction.","Inorganic chemistry","2016","55","3","1304","1314","10.1021/acs.inorgchem.5b02629","","x-ray","0.71069","MoKα","","0.0658","0.0371","","","0.0794","0.0876","","","","","","0.975","","","","has coordinates","175572","2020-10-21","18:00:00",""
"4344693","11.843","0.002","12.7275","0.0018","21.447","0.004","75.544","0.01","83.173","0.013","81.698","0.012","3086","0.9","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C72 H70 Br2 N4 O4 Pd -","- C72 H70 Br2 N4 O4 Pd -","- C144 H140 Br4 N8 O8 Pd2 -","2","1","","Ortiz, Alba M.; Sánchez-Méndez, Alberto; de Jesús, Ernesto; Flores, Juan C.; Gómez-Sal, Pilar; Mendicuti, Francisco","Poly(benzyl ether) Dendrimers Functionalized at the Core with Palladium Bis(N-Heterocyclic Carbene) Complexes as Catalysts for the Heck Coupling Reaction.","Inorganic chemistry","2016","55","3","1304","1314","10.1021/acs.inorgchem.5b02629","","x-ray","0.71073","MoKα","","0.1205","0.045","","","0.0729","0.0871","","","","","","0.884","","","","has coordinates","175572","2020-10-21","18:00:00",""
"4344694","13.0192","0.001","5.1084","0.0003","21.3364","0.0016","90","","96.936","0.004","90","","1408.64","0.17","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 N4 Ni S6 -","- C22 H36 N4 Ni S6 -","- C44 H72 N8 Ni2 S12 -","2","0.5","","Mebrouk, Kenny; Camerel, Franck; Jeannin, Olivier; Heinrich, Benoit; Donnio, Bertrand; Fourmigué, Marc","High Photothermal Activity within Neutral Nickel Dithiolene Complexes Derived from Imidazolium-Based Ionic Liquids.","Inorganic chemistry","2016","55","3","1296","1303","10.1021/acs.inorgchem.5b02648","","x-ray","0.71073","MoKα","","0.0745","0.0493","","","0.128","0.1533","","","","","","1.064","","","","has coordinates","175573","2020-10-21","18:00:00",""
"4344695","38.233","0.012","18.704","0.007","25.634","0.009","90","","115.95","0.03","90","","16483","11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H99 N6 O13 P S -","- C83 H99 N6 O13 P S -","- C664 H792 N48 O104 P8 S8 -","8","1","","Gosse, Isabelle; Robeyns, Koen; Bougault, Catherine; Martinez, Alexandre; Tinant, Bernard; Dutasta, Jean-Pierre","Synthesis and Structural Studies of Gallium(III) and Iron(III) Hemicryptophane Complexes.","Inorganic chemistry","2016","55","3","1011","1013","10.1021/acs.inorgchem.5b02750","","","0.71069","MoKα","","0.0919","0.0816","","","0.2353","0.2481","","","","","","1.006","","","","has coordinates,has disorder","301840","2025-08-20","23:45:00",""
"4344696","12.05","0.005","12.144","0.005","23.02","0.009","79.22","0.02","81.96","0.02","61.53","0.02","2904","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H66 Fe N6 O12 P S -","- C60 H66 Fe N6 O12 P S -","- C120 H132 Fe2 N12 O24 P2 S2 -","2","1","","Gosse, Isabelle; Robeyns, Koen; Bougault, Catherine; Martinez, Alexandre; Tinant, Bernard; Dutasta, Jean-Pierre","Synthesis and Structural Studies of Gallium(III) and Iron(III) Hemicryptophane Complexes.","Inorganic chemistry","2016","55","3","1011","1013","10.1021/acs.inorgchem.5b02750","","","0.71069","MoKα","","0.0828","0.0707","","","0.1935","0.2059","","","","","","1.006","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344697","12.173","0.005","12.317","0.005","23.232","0.009","79.25","0.03","78.31","0.02","60.67","0.03","2958","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H66 Ga N6 O12 P S -","- C60 H66 Ga N6 O12 P S -","- C120 H132 Ga2 N12 O24 P2 S2 -","2","1","","Gosse, Isabelle; Robeyns, Koen; Bougault, Catherine; Martinez, Alexandre; Tinant, Bernard; Dutasta, Jean-Pierre","Synthesis and Structural Studies of Gallium(III) and Iron(III) Hemicryptophane Complexes.","Inorganic chemistry","2016","55","3","1011","1013","10.1021/acs.inorgchem.5b02750","","","0.71069","MoKα","","0.0816","0.0641","","","0.1722","0.1878","","","","","","1.025","","","","has coordinates,has disorder","301840","2025-08-20","23:45:00",""
"4344698","11.1634","0.0011","10.6776","0.0011","20.125","0.002","90","","90.08","0.002","90","","2398.9","0.4","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H39 Cu F3 N3 O3 S -","- C19 H39 Cu F3 N3 O3 S -","- C76 H156 Cu4 F12 N12 O12 S4 -","4","1","","Karahalis, Gregory J.; Thangavel, Arumugam; Chica, Bryant; Bacsa, John; Dyer, R. Brian; Scarborough, Christopher C.","Synthesis and Catalytic Reactivity of a Dicopper(II) μ-η(2):η(2)-Peroxo Species Supported by 1,4,7-Tri-tert-butyl-1,4,7-triazacyclononane.","Inorganic chemistry","2016","55","3","1102","1107","10.1021/acs.inorgchem.5b02205","","","0.71073","MoKα","","0.0893","0.0627","","","0.1489","0.1684","","","","","","1.035","","","","has coordinates,has disorder","301840","2025-08-20","23:45:00",""
"4344699","10.9185","0.0016","10.9583","0.0016","12.4586","0.0018","70.464","0.002","65.2057","0.0019","60.4756","0.0019","1162","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H78 Cu2 F6 N6 O8 S2 -","- C38 H78 Cu2 F6 N6 O8 S2 -","- C38 H78 Cu2 F6 N6 O8 S2 -","1","0.5","","Karahalis, Gregory J.; Thangavel, Arumugam; Chica, Bryant; Bacsa, John; Dyer, R. Brian; Scarborough, Christopher C.","Synthesis and Catalytic Reactivity of a Dicopper(II) μ-η(2):η(2)-Peroxo Species Supported by 1,4,7-Tri-tert-butyl-1,4,7-triazacyclononane.","Inorganic chemistry","2016","55","3","1102","1107","10.1021/acs.inorgchem.5b02205","","","0.71073","MoKα","","0.0746","0.0593","","","0.1365","0.1427","","","","","","1.022","","","","has coordinates","175576","2020-10-21","18:00:00",""
"4344701","14.259","0.005","14.318","0.004","14.542","0.005","72.464","0.009","87.615","0.011","76.362","0.011","2749.7","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 Cl2 N2 O6 Ru -","- C27 H24 Cl2 N2 O6 Ru -","- C108 H96 Cl8 N8 O24 Ru4 -","4","2","","Mondal, Prasenjit; Das, Ankita; Lahiri, Goutam Kumar","The Electron-Rich {Ru(acac)2} Directed Varying Configuration of the Deprotonated Indigo and Evidence for Its Bidirectional Noninnocence.","Inorganic chemistry","2016","55","3","1208","1218","10.1021/acs.inorgchem.5b02409","","","0.71075","MoKα","","0.0742","0.0549","","","0.1204","0.1362","","","","","","1.069","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344702","12.324","0.003","14.398","0.003","15.023","0.002","68.238","0.006","75.385","0.007","89.338","0.009","2385.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 N2 O6 Ru -","- C26 H23 N2 O6 Ru -","- C104 H92 N8 O24 Ru4 -","4","2","","Mondal, Prasenjit; Das, Ankita; Lahiri, Goutam Kumar","The Electron-Rich {Ru(acac)2} Directed Varying Configuration of the Deprotonated Indigo and Evidence for Its Bidirectional Noninnocence.","Inorganic chemistry","2016","55","3","1208","1218","10.1021/acs.inorgchem.5b02409","","","0.7107","MoKα","","0.0554","0.0441","","","0.0962","0.1031","","","","","","0.989","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344703","12.149","0.002","13.696","0.003","16.327","0.003","90","","90","","90","","2716.7","0.9","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Fe I N O5 -","- C11 H10 Fe I N O5 -","- C88 H80 Fe8 I8 N8 O40 -","8","1","","Song, Li-Cheng; Xu, Kai-Kai; Han, Xiao-Feng; Zhang, Ji-Wei","Synthetic and Structural Studies of 2-Acylmethyl-6-R-Difunctionalized Pyridine Ligand-Containing Iron Complexes Related to [Fe]-Hydrogenase.","Inorganic chemistry","2016","55","3","1258","1269","10.1021/acs.inorgchem.5b02490","","","0.71073","MoKα","","0.0386","0.0323","","","0.0647","0.0795","","","","","","1.169","","","","has coordinates","175579","2020-10-21","18:00:00",""
"4344704","9.0498","0.0017","7.2069","0.0014","21.894","0.004","90","","91.65","0.03","90","","1427.4","0.5","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Fe N2 O5 S -","- C12 H10 Fe N2 O5 S -","- C48 H40 Fe4 N8 O20 S4 -","4","1","","Song, Li-Cheng; Xu, Kai-Kai; Han, Xiao-Feng; Zhang, Ji-Wei","Synthetic and Structural Studies of 2-Acylmethyl-6-R-Difunctionalized Pyridine Ligand-Containing Iron Complexes Related to [Fe]-Hydrogenase.","Inorganic chemistry","2016","55","3","1258","1269","10.1021/acs.inorgchem.5b02490","","","0.71073","MoKα","","0.0394","0.0319","","","0.0742","0.0824","","","","","","1.075","","","","has coordinates","175579","2020-10-21","18:00:00",""
"4344705","9.0675","0.0018","10.729","0.002","16.273","0.003","76.18","0.03","85.14","0.03","89.2","0.03","1531.7","0.5","113.15","","113.15","","","","","","","","","8","P -1","-P 1","2","","","","- C30 H27 Cl2 Fe I N O5 P -","- C30 H27 Cl2 Fe I N O5 P -","- C60 H54 Cl4 Fe2 I2 N2 O10 P2 -","2","1","","Song, Li-Cheng; Xu, Kai-Kai; Han, Xiao-Feng; Zhang, Ji-Wei","Synthetic and Structural Studies of 2-Acylmethyl-6-R-Difunctionalized Pyridine Ligand-Containing Iron Complexes Related to [Fe]-Hydrogenase.","Inorganic chemistry","2016","55","3","1258","1269","10.1021/acs.inorgchem.5b02490","","","0.71073","MoKα","","0.053","0.0359","","","0.0877","0.092","","","","","","1.024","","","","has coordinates,has disorder","175579","2020-10-21","18:00:00",""
"4344706","10.514","0.003","11.132","0.003","14.619","0.005","90","","90","","90","","1711","0.9","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Fe N2 O5 S -","- C16 H14 Fe N2 O5 S -","- C64 H56 Fe4 N8 O20 S4 -","4","1","","Song, Li-Cheng; Xu, Kai-Kai; Han, Xiao-Feng; Zhang, Ji-Wei","Synthetic and Structural Studies of 2-Acylmethyl-6-R-Difunctionalized Pyridine Ligand-Containing Iron Complexes Related to [Fe]-Hydrogenase.","Inorganic chemistry","2016","55","3","1258","1269","10.1021/acs.inorgchem.5b02490","","","0.71073","MoKα","","0.0221","0.02","","","0.0399","0.0402","","","","","","1.039","","","","has coordinates","175579","2020-10-21","18:00:00",""
"4344707","9.694","0.003","16.045","0.004","18.325","0.005","90","","101.322","0.003","90","","2794.8","1.3","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cl2 Fe N O4 P -","- C30 H22 Cl2 Fe N O4 P -","- C120 H88 Cl8 Fe4 N4 O16 P4 -","4","1","","Song, Li-Cheng; Xu, Kai-Kai; Han, Xiao-Feng; Zhang, Ji-Wei","Synthetic and Structural Studies of 2-Acylmethyl-6-R-Difunctionalized Pyridine Ligand-Containing Iron Complexes Related to [Fe]-Hydrogenase.","Inorganic chemistry","2016","55","3","1258","1269","10.1021/acs.inorgchem.5b02490","","","0.71073","MoKα","","0.037","0.0329","","","0.0865","0.0887","","","","","","1.058","","","","has coordinates,has disorder","175579","2020-10-21","18:00:00",""
"4344708","10.75","0.005","8.546","0.003","12.793","0.005","90","","96.989","0.008","90","","1166.6","0.8","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 Fe N O5 -","- C12 H7 Fe N O5 -","- C48 H28 Fe4 N4 O20 -","4","1","","Song, Li-Cheng; Xu, Kai-Kai; Han, Xiao-Feng; Zhang, Ji-Wei","Synthetic and Structural Studies of 2-Acylmethyl-6-R-Difunctionalized Pyridine Ligand-Containing Iron Complexes Related to [Fe]-Hydrogenase.","Inorganic chemistry","2016","55","3","1258","1269","10.1021/acs.inorgchem.5b02490","","","0.71073","MoKα","","0.0294","0.024","","","0.0651","0.0666","","","","","","1.025","","","","has coordinates","175579","2020-10-21","18:00:00",""
"4344709","8.8635","0.0018","26.586","0.005","10.356","0.002","90","","108.507","0.002","90","","2314.1","0.8","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cl2 Fe N O3 S2 -","- C23 H19 Cl2 Fe N O3 S2 -","- C92 H76 Cl8 Fe4 N4 O12 S8 -","4","1","","Song, Li-Cheng; Xu, Kai-Kai; Han, Xiao-Feng; Zhang, Ji-Wei","Synthetic and Structural Studies of 2-Acylmethyl-6-R-Difunctionalized Pyridine Ligand-Containing Iron Complexes Related to [Fe]-Hydrogenase.","Inorganic chemistry","2016","55","3","1258","1269","10.1021/acs.inorgchem.5b02490","","","0.71073","MoKα","","0.0334","0.0293","","","0.0712","0.073","","","","","","1.045","","","","has coordinates","175579","2020-10-21","18:00:00",""
"4344710","8.4592","0.0008","9.9099","0.001","16.1139","0.0017","78.199","0.004","88.772","0.005","71.33","0.004","1251.3","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H33 F6 O P Pt Zr -","- C23 H33 F6 O P Pt Zr -","- C46 H66 F12 O2 P2 Pt2 Zr2 -","2","1","","Chapman, Andy M.; Flynn, Stephanie R.; Wass, Duncan F.","Unexpected Formation of Early Late Heterobimetallic Complexes from Transition Metal Frustrated Lewis Pairs.","Inorganic chemistry","2016","55","3","1017","1021","10.1021/acs.inorgchem.5b01424","","","0.71073","MoKα","","0.0346","0.0342","","","0.0781","0.0782","","","","","","1.381","","","","has coordinates,has disorder","175580","2020-10-21","18:00:00",""
"4344711","10.317","0.005","12.086","0.005","12.301","0.005","76.576","0.005","83.789","0.005","67.032","0.005","1373.4","1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Cl4 Co2 N8 O18 -","- C36 H38 Cl4 Co2 N8 O18 -","- C36 H38 Cl4 Co2 N8 O18 -","1","0.5","","Ishizuka, Tomoya; Watanabe, Atsuko; Kotani, Hiroaki; Hong, Dachao; Satonaka, Kenta; Wada, Tohru; Shiota, Yoshihito; Yoshizawa, Kazunari; Ohara, Kazuaki; Yamaguchi, Kentaro; Kato, Satoshi; Fukuzumi, Shunichi; Kojima, Takahiko","Homogeneous Photocatalytic Water Oxidation with a Dinuclear Co(III)-Pyridylmethylamine Complex.","Inorganic chemistry","2016","55","3","1154","1164","10.1021/acs.inorgchem.5b02336","","","0.71069","MoKα","","0.0972","0.0619","","","0.1557","0.1704","","","","","","1.025","","","","has coordinates,has disorder","301840","2025-08-20","23:45:00",""
"4344712","10.709","0.003","13.59","0.003","11.786","0.003","90","","92.665","0.003","90","","1713.4","0.8","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 Al Cl12 F24 Li O4 -","- C16 Al Cl12 F24 Li O4 -","- C32 Al2 Cl24 F48 Li2 O8 -","2","1","","Zheng, Xin; Zhang, Zaichao; Tan, Gengwen; Wang, Xinping","An Aliphatic Solvent-Soluble Lithium Salt of the Perhalogenated Weakly Coordinating Anion [Al(OC(CCl3)(CF3)2)4](.).","Inorganic chemistry","2016","55","3","1008","1010","10.1021/acs.inorgchem.5b02674","","","0.71073","MoKα","","0.0764","0.0656","","","0.1998","0.2294","","","","","","1.112","","","","has coordinates","175582","2020-10-21","18:00:00",""
"4344713","9.988","0.003","13.495","0.004","21.085","0.007","90","","90","","90","","2842","1.5","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 Al F36 Li O4 -","- C16 Al F36 Li O4 -","- C64 Al4 F144 Li4 O16 -","4","1","","Zheng, Xin; Zhang, Zaichao; Tan, Gengwen; Wang, Xinping","An Aliphatic Solvent-Soluble Lithium Salt of the Perhalogenated Weakly Coordinating Anion [Al(OC(CCl3)(CF3)2)4](.).","Inorganic chemistry","2016","55","3","1008","1010","10.1021/acs.inorgchem.5b02674","","","0.71073","MoKα","","0.1311","0.0757","","","0.1952","0.2225","","","","","","1.055","","","","has coordinates,has disorder","175582","2020-10-21","18:00:00",""
"4344714","12.1349","0.0016","12.8478","0.0017","16.5531","0.0012","91.786","0.002","92.263","0.003","108.141","0.002","2448","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H15 Al Cl12 F24 O4 -","- C35 H15 Al Cl12 F24 O4 -","- C70 H30 Al2 Cl24 F48 O8 -","2","1","","Zheng, Xin; Zhang, Zaichao; Tan, Gengwen; Wang, Xinping","An Aliphatic Solvent-Soluble Lithium Salt of the Perhalogenated Weakly Coordinating Anion [Al(OC(CCl3)(CF3)2)4](.).","Inorganic chemistry","2016","55","3","1008","1010","10.1021/acs.inorgchem.5b02674","","","0.71073","MoKα","","0.0595","0.0547","","","0.143","0.1448","","","","","","1.022","","","","has coordinates","175582","2020-10-21","18:00:00",""
"4344715","9.75757","0.00009","15.62094","0.00014","11.92282","0.00011","90","","91.8964","0.0008","90","","1816.31","0.03","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N2 O4 S V -","- C19 H17 N2 O4 S V -","- C76 H68 N8 O16 S4 V4 -","4","1","","Dash, Subhashree P.; Majumder, Sudarshana; Banerjee, Atanu; Carvalho, M Fernanda N N; Adão, Pedro; Pessoa, João Costa; Brzezinski, Krzysztof; Garribba, Eugenio; Reuter, Hans; Dinda, Rupam","Chemistry of Monomeric and Dinuclear Non-Oxido Vanadium(IV) and Oxidovanadium(V) Aroylazine Complexes: Exploring Solution Behavior.","Inorganic chemistry","2016","55","3","1165","1182","10.1021/acs.inorgchem.5b02346","","","0.71073","MoKα","","0.0416","0.0313","","","0.0826","0.0913","","","","","","1.111","","","","has coordinates,has disorder","301840","2025-08-20","23:45:00",""
"4344716","11.8182","0.0001","19.0878","0.0002","16.5463","0.0002","90","","97.829","0.001","90","","3697.78","0.07","406","2","406","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47.63 H34.63 Cl0.74 N4.63 O4 V -","- C47.63 H34.63 Cl0.74 N4.63 O4 V -","- C190.52 H138.52 Cl2.96 N18.52 O16 V4 -","4","1","","Dash, Subhashree P.; Majumder, Sudarshana; Banerjee, Atanu; Carvalho, M Fernanda N N; Adão, Pedro; Pessoa, João Costa; Brzezinski, Krzysztof; Garribba, Eugenio; Reuter, Hans; Dinda, Rupam","Chemistry of Monomeric and Dinuclear Non-Oxido Vanadium(IV) and Oxidovanadium(V) Aroylazine Complexes: Exploring Solution Behavior.","Inorganic chemistry","2016","55","3","1165","1182","10.1021/acs.inorgchem.5b02346","","","0.71073","MoKα","","0.0463","0.0363","","","0.0863","0.0933","","","","","","1.034","","","","has coordinates,has disorder","175584","2020-10-21","18:00:00",""
"4344717","13.03105","0.00009","23.24945","0.00014","10.37682","0.00009","90","","104.295","0.0008","90","","3046.48","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 N4 O4 S2 V -","- C34 H24 N4 O4 S2 V -","- C136 H96 N16 O16 S8 V4 -","4","1","","Dash, Subhashree P.; Majumder, Sudarshana; Banerjee, Atanu; Carvalho, M Fernanda N N; Adão, Pedro; Pessoa, João Costa; Brzezinski, Krzysztof; Garribba, Eugenio; Reuter, Hans; Dinda, Rupam","Chemistry of Monomeric and Dinuclear Non-Oxido Vanadium(IV) and Oxidovanadium(V) Aroylazine Complexes: Exploring Solution Behavior.","Inorganic chemistry","2016","55","3","1165","1182","10.1021/acs.inorgchem.5b02346","","","1.54184","CuKα","","0.0354","0.0336","","","0.0929","0.0952","","","","","","1.05","","","","has coordinates,has disorder","301840","2025-08-20","23:45:00",""
"4344718","8.345","0.0006","10.1037","0.0007","10.5931","0.0007","79.973","0.003","81.273","0.002","78.461","0.002","855.39","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N2 O5 V -","- C19 H17 N2 O5 V -","- C38 H34 N4 O10 V2 -","2","1","","Dash, Subhashree P.; Majumder, Sudarshana; Banerjee, Atanu; Carvalho, M Fernanda N N; Adão, Pedro; Pessoa, João Costa; Brzezinski, Krzysztof; Garribba, Eugenio; Reuter, Hans; Dinda, Rupam","Chemistry of Monomeric and Dinuclear Non-Oxido Vanadium(IV) and Oxidovanadium(V) Aroylazine Complexes: Exploring Solution Behavior.","Inorganic chemistry","2016","55","3","1165","1182","10.1021/acs.inorgchem.5b02346","","","0.71073","MoKα","","0.0335","0.0302","","","0.0791","0.0815","","","","","","1.045","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344719","6.06519","0.00007","17.9476","0.0003","21.00558","0.00019","69.4104","0.0011","89.5791","0.0008","88.6613","0.001","2139.93","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N2 O5 V -","- C25 H21 N2 O5 V -","- C100 H84 N8 O20 V4 -","4","2","","Dash, Subhashree P.; Majumder, Sudarshana; Banerjee, Atanu; Carvalho, M Fernanda N N; Adão, Pedro; Pessoa, João Costa; Brzezinski, Krzysztof; Garribba, Eugenio; Reuter, Hans; Dinda, Rupam","Chemistry of Monomeric and Dinuclear Non-Oxido Vanadium(IV) and Oxidovanadium(V) Aroylazine Complexes: Exploring Solution Behavior.","Inorganic chemistry","2016","55","3","1165","1182","10.1021/acs.inorgchem.5b02346","","","1.54184","CuKα","","0.0664","0.0645","","","0.1831","0.1845","","","","","","1.1","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344720","10.39154","0.00019","12.21149","0.00018","13.8273","0.0002","99.9444","0.0013","108.614","0.0016","103.007","0.0014","1562.34","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34.5 H25 Cl N4 O9 V2 -","- C34.5 H25 Cl N4 O9 V2 -","- C69 H50 Cl2 N8 O18 V4 -","2","1","","Dash, Subhashree P.; Majumder, Sudarshana; Banerjee, Atanu; Carvalho, M Fernanda N N; Adão, Pedro; Pessoa, João Costa; Brzezinski, Krzysztof; Garribba, Eugenio; Reuter, Hans; Dinda, Rupam","Chemistry of Monomeric and Dinuclear Non-Oxido Vanadium(IV) and Oxidovanadium(V) Aroylazine Complexes: Exploring Solution Behavior.","Inorganic chemistry","2016","55","3","1165","1182","10.1021/acs.inorgchem.5b02346","","","1.54184","CuKα","","0.0455","0.0452","","","0.1181","0.1185","","","","","","1.058","","","","has coordinates,has disorder","301840","2025-08-20","23:45:00",""
"4344721","11.99","0.0005","11.99","0.0005","50.012","0.004","90","","90","","120","","6226.5","0.6","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Cl6 Cs39 Ga53 Se96 -","- Cl6 Cs39 Ga52.92 Se96 -","- Cl6 Cs39 Ga52.92 Se96 -","1","0.0277778","","Lin, Hua; Chen, Hong; Lin, Zi-Xiong; Zhao, Hua-Jun; Liu, Peng-Fei; Yu, Ju-Song; Chen, Ling","(Cs6Cl)6Cs3[Ga53Se96]: A Unique Long Period-Stacking Structure of Layers Made from Ga2Se6 Dimers via Cis or Trans Intralayer Linking.","Inorganic chemistry","2016","55","3","1014","1016","10.1021/acs.inorgchem.5b02846","","","0.71073","MoKα","","0.0504","0.0412","","","0.0924","0.0964","","","","","","1.057","","","","has coordinates","175590","2020-10-21","18:00:00",""
"4344722","22.408","0.0004","12.0454","0.0003","37.5938","0.0007","90","","90","","90","","10147.1","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H64 N8 O2 Ti -","- C47 H64 N8 O2 Ti -","- C376 H512 N64 O16 Ti8 -","8","2","","Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives.","Inorganic chemistry","2016","55","3","1142","1153","10.1021/acs.inorgchem.5b02302","","","0.71073","MoKα","","0.0681","0.0576","","","0.1664","0.1762","","","","","","1.072","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344723","11.3225","0.0005","14.4568","0.0007","18.1231","0.0012","90","","90","","90","","2966.5","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H52 N8 Ti -","- C24 H52 N8 Ti -","- C96 H208 N32 Ti4 -","4","1","","Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives.","Inorganic chemistry","2016","55","3","1142","1153","10.1021/acs.inorgchem.5b02302","","","1.54184","CuKα","","0.0792","0.0567","","","0.145","0.1564","","","","","","1.074","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344724","13.6316","0.0003","7.9757","0.0003","26.6771","0.0008","90","","95.854","0.002","90","","2885.25","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H42 N6 Ti -","- C27 H42 N6 Ti -","- C108 H168 N24 Ti4 -","4","1","","Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives.","Inorganic chemistry","2016","55","3","1142","1153","10.1021/acs.inorgchem.5b02302","","","1.54184","CuKα","","0.0445","0.0411","","","0.1161","0.1201","","","","","","1.043","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344725","13.4653","0.001","22.6102","0.0009","21.032","0.0019","90","","112.722","0.007","90","","5906.3","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H77 N9 S3 Ti -","- C61 H77 N9 S3 Ti -","- C244 H308 N36 S12 Ti4 -","4","1","","Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives.","Inorganic chemistry","2016","55","3","1142","1153","10.1021/acs.inorgchem.5b02302","","","0.71073","MoKα","","0.0817","0.0559","","","0.1235","0.1376","","","","","","1.031","","","","has coordinates","175594","2020-10-21","18:00:00",""
"4344726","21.7362","0.0014","15.8393","0.0007","19.1596","0.0012","90","","120.972","0.009","90","","5655.9","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H97 N15 Ti2 -","- C45 H97 N15 Ti2 -","- C180 H388 N60 Ti8 -","4","0.5","","Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives.","Inorganic chemistry","2016","55","3","1142","1153","10.1021/acs.inorgchem.5b02302","","","1.54184","CuKα","","0.0502","0.0446","","","0.1237","0.1307","","","","","","1.058","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344727","16.4234","0.001","9.6163","0.0003","21.2742","0.0007","90","","92.015","0.004","90","","3357.8","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 N8 Ti -","- C30 H60 N8 Ti -","- C120 H240 N32 Ti4 -","4","1","","Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives.","Inorganic chemistry","2016","55","3","1142","1153","10.1021/acs.inorgchem.5b02302","","","1.54184","CuKα","","0.0447","0.0378","","","0.0977","0.1028","","","","","","1.033","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344728","10.5414","0.0003","17.2721","0.0003","23.9532","0.0005","90","","104.726","0.002","90","","4217.95","0.17","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H68 N8 Ti -","- C40 H68 N8 Ti -","- C160 H272 N32 Ti4 -","4","1","","Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives.","Inorganic chemistry","2016","55","3","1142","1153","10.1021/acs.inorgchem.5b02302","","","0.71073","MoKα","","0.0691","0.0474","","","0.1067","0.117","","","","","","1.06","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344729","8.9497","0.0004","11.1431","0.0006","19.1705","0.0009","89.6","0.004","85.093","0.004","67.378","0.005","1757.57","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H54 N6 Ti -","- C33 H54 N6 Ti -","- C66 H108 N12 Ti2 -","2","1","","Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives.","Inorganic chemistry","2016","55","3","1142","1153","10.1021/acs.inorgchem.5b02302","","","1.54184","CuKα","","0.0478","0.0428","","","0.1166","0.1217","","","","","","1.053","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344730","12.5727","0.0005","13.7458","0.0006","17.1032","0.0007","82.253","0.004","77.846","0.004","86.308","0.004","2861.2","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H80 N8 Ti -","- C64 H80 N8 Ti -","- C128 H160 N16 Ti2 -","2","1","","Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives.","Inorganic chemistry","2016","55","3","1142","1153","10.1021/acs.inorgchem.5b02302","","","0.71073","MoKα","","0.0783","0.0615","","","0.1557","0.1687","","","","","","1.072","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344731","31.1772","0.001","13.33897","0.00012","17.8988","0.0006","90","","131.633","0.005","90","","5563.5","0.5","104.4","0.14","104.4","0.14","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H57 Br4 Fe2 N6 P3 -","- C53 H57 Br4 Fe2 N6 P3 -","- C212 H228 Br16 Fe8 N24 P12 -","4","1","","Petuker, Anette; Merz, Klaus; Merten, Christian; Apfel, Ulf-Peter","Controlled Flexible Coordination in Tripodal Iron(II) Phosphane Complexes: Effects on Reactivity.","Inorganic chemistry","2016","55","3","1183","1191","10.1021/acs.inorgchem.5b02361","","x-ray","1.54184","CuKα","","0.0346","0.0333","","","0.0859","0.0869","","","","","","1.026","","","","has coordinates","175600","2020-10-21","18:00:00",""
"4344732","9.4197","0.0003","9.4229","0.0003","12.7283","0.0003","110.289","0.003","93.258","0.002","112.426","0.003","955.95","0.06","104.7","1","104.7","1","","","","","","","","6","P 1","P 1","1","","","","- C40 H39 Br2 Fe P3 Si -","- C40 H39 Br2 Fe P3 Si -","- C40 H39 Br2 Fe P3 Si -","1","1","","Petuker, Anette; Merz, Klaus; Merten, Christian; Apfel, Ulf-Peter","Controlled Flexible Coordination in Tripodal Iron(II) Phosphane Complexes: Effects on Reactivity.","Inorganic chemistry","2016","55","3","1183","1191","10.1021/acs.inorgchem.5b02361","","x-ray","1.54184","CuKα","","0.0199","0.0195","","","0.0539","0.0539","","","","","","1.074","","","","has coordinates","175601","2020-10-21","18:00:00",""
"4344733","9.286","0.01","9.318","0.01","12.642","0.013","94.8155","0.0018","109.849","0.008","110.022","0.014","941.6","1.7","293","","293","","","","","","","","","5","P 1","P 1","1","","","","- C41 H39 Cl2 Fe P3 -","- C41 H39 Cl2 Fe P3 -","- C41 H39 Cl2 Fe P3 -","1","1","","Petuker, Anette; Merz, Klaus; Merten, Christian; Apfel, Ulf-Peter","Controlled Flexible Coordination in Tripodal Iron(II) Phosphane Complexes: Effects on Reactivity.","Inorganic chemistry","2016","55","3","1183","1191","10.1021/acs.inorgchem.5b02361","","","0.710747","MoKα","","0.0436","0.0374","","","0.0807","0.0858","","","","","","0.8984","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4344734","13.352","0.007","18.685","0.01","19.802","0.01","90","","90.679","0.008","90","","4940","4","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H51 B2 F8 Fe N4 P3 -","- C49 H51 B2 F8 Fe N4 P3 -","- C196 H204 B8 F32 Fe4 N16 P12 -","4","1","","Petuker, Anette; Merz, Klaus; Merten, Christian; Apfel, Ulf-Peter","Controlled Flexible Coordination in Tripodal Iron(II) Phosphane Complexes: Effects on Reactivity.","Inorganic chemistry","2016","55","3","1183","1191","10.1021/acs.inorgchem.5b02361","","","0.710747","MoKα","","0.0691","0.0526","","","0.141","0.157","","","","","","1.0432","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344735","13.1059","0.0011","15.7016","0.0009","26.135","0.002","90","","102.265","0.004","90","","5255.4","0.7","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 B2 F8 Fe N3 O P3 Si -","- C50 H56 B2 F8 Fe N3 O P3 Si -","- C200 H224 B8 F32 Fe4 N12 O4 P12 Si4 -","4","1","","Petuker, Anette; Merz, Klaus; Merten, Christian; Apfel, Ulf-Peter","Controlled Flexible Coordination in Tripodal Iron(II) Phosphane Complexes: Effects on Reactivity.","Inorganic chemistry","2016","55","3","1183","1191","10.1021/acs.inorgchem.5b02361","","","0.71075","MoKα","","0.0898","0.0617","","","0.1466","0.1697","","","","","","1.025","","","","has coordinates,has disorder","175604","2020-10-21","18:00:00",""
"4344736","13.1885","0.001","14.8199","0.0012","28.7052","0.0019","90","","89.866","0.004","90","","5610.5","0.7","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H54 Cl6 Fe3 N5 P3 -","- C51 H54 Cl6 Fe3 N5 P3 -","- C204 H216 Cl24 Fe12 N20 P12 -","4","1","","Petuker, Anette; Merz, Klaus; Merten, Christian; Apfel, Ulf-Peter","Controlled Flexible Coordination in Tripodal Iron(II) Phosphane Complexes: Effects on Reactivity.","Inorganic chemistry","2016","55","3","1183","1191","10.1021/acs.inorgchem.5b02361","","","0.710747","MoKα","","0.0585","0.0444","","","0.1179","0.1327","","","","","","1.0328","","","","has coordinates,has disorder","175605","2020-10-21","18:00:00",""
"4344737","9.341","0.007","9.463","0.007","12.799","0.009","93.56","0.008","109.985","0.007","112.137","0.0011","960.9","1.2","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C40 H39 Cl2 Fe P3 Si -","- C40 H39 Cl2 Fe P3 Si -","- C40 H39 Cl2 Fe P3 Si -","1","1","","Petuker, Anette; Merz, Klaus; Merten, Christian; Apfel, Ulf-Peter","Controlled Flexible Coordination in Tripodal Iron(II) Phosphane Complexes: Effects on Reactivity.","Inorganic chemistry","2016","55","3","1183","1191","10.1021/acs.inorgchem.5b02361","","","0.710747","MoKα","","0.0354","0.0326","","","0.0643","0.0656","","","","","","0.9599","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4344738","13.3451","0.0004","23.7349","0.0007","13.1709","0.0004","90","","90","","90","","4171.8","0.2","129.9","0.3","129.9","0.3","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C38 H30 Dy2 N6 Ni O20 -","- C38 H26 Dy2 N6 Ni O20 -","- C152 H104 Dy8 N24 Ni4 O80 -","4","0.25","","Zhang, Shaowei; Li, Han; Duan, Eryue; Han, Zongsu; Li, Leilei; Tang, Jinkui; Shi, Wei; Cheng, Peng","A 3D Heterometallic Coordination Polymer Constructed by Trimeric {NiDy2} Single-Molecule Magnet Units.","Inorganic chemistry","2016","55","3","1202","1207","10.1021/acs.inorgchem.5b02378","","","0.71073","MoKα","","0.0597","0.0519","","","0.1151","0.1192","","","","","","1.138","","","","has coordinates,has disorder","175607","2020-10-21","18:00:00",""
"4344739","11.85114","0.00017","3.85076","0.00004","33.0722","0.0006","90","","90","","90","","1509.28","0.04","293","","293","","","","","","","","","4","I m m m","-I 2 2","71","","","","- Bi10 Fe6 O38 Ti7 -","- Bi10 Fe5.9999 O38 Ti7.0001 -","- Bi20 Fe11.9998 O76 Ti14.0002 -","2","0.125","","Batuk, Dmitry; Tsirlin, Alexander A.; Filimonov, Dmitry S.; Zakharov, Konstantin V.; Volkova, Olga S.; Vasiliev, Alexander; Hadermann, Joke; Abakumov, Artem M.","Bi3n+1Ti7Fe3n-3O9n+11 Homologous Series: Slicing Perovskite Structure with Planar Interfaces Containing Anatase-like Chains.","Inorganic chemistry","2016","55","3","1245","1257","10.1021/acs.inorgchem.5b02465","powder diffraction","neutron","1.8857","","","0.0635","0.0631","","0.0807","0.0807","","","","3.61","","","","","","","has coordinates","288070","2023-12-06","12:54:54",""
"4344740","11.851","0.0002","3.85076","0.00005","33.0704","0.0007","90","","90","","90","","1509.18","0.05","293","","293","","","","","","","","","4","I m m m","-I 2 2","71","","","","- Bi10 Fe6 O38 Ti7 -","- Bi10 Fe5.9999 O38 Ti7.0001 -","- Bi20 Fe11.9998 O76 Ti14.0002 -","2","0.125","","Batuk, Dmitry; Tsirlin, Alexander A.; Filimonov, Dmitry S.; Zakharov, Konstantin V.; Volkova, Olga S.; Vasiliev, Alexander; Hadermann, Joke; Abakumov, Artem M.","Bi3n+1Ti7Fe3n-3O9n+11 Homologous Series: Slicing Perovskite Structure with Planar Interfaces Containing Anatase-like Chains.","Inorganic chemistry","2016","55","3","1245","1257","10.1021/acs.inorgchem.5b02465","powder diffraction","neutron","1.8857","","","0.0437","0.0435","","0.057","0.057","","","","2.8","","","","","","","has coordinates","288070","2023-12-06","12:55:14",""
"4344741","5.10143","0.00005","5.10143","","5.39643","0.00006","90","","90","","120","","121.624","0.0018","296","2","296","2","","","","","","","","4","P -6 2 m","P -6 -2","189","PbMnTeO6","","","- Mn O6 Pb Te -","- Mn O6 Pb Te -","- Mn O6 Pb Te -","1","0.0833333","","Kim, Sun Woo; Deng, Zheng; Li, Man-Rong; Sen Gupta, Arnab; Akamatsu, Hirofumi; Gopalan, Venkatraman; Greenblatt, Martha","PbMn(IV)TeO6: A New Noncentrosymmetric Layered Honeycomb Magnetic Oxide.","Inorganic chemistry","2016","55","3","1333","1338","10.1021/acs.inorgchem.5b02677","powder diffraction","x-ray","1.5405","CuKα~1~","","","","","","","","0.01892","","1.21","","","","","","","has coordinates","175609","2020-10-21","18:00:00",""
"4344742","15.1675","0.0009","15.1675","0.0009","11.9197","0.0015","90","","90","","90","","2742.2","0.4","293","2","293","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (Ga2) Original","","","- C20.65 H18.85 Ga2 N1.55 O15.55 -","- C20.656 H18.864 Ga2 N1.56 O15.56 -","- C82.624 H75.456 Ga8 N6.24 O62.24 -","4","0.25","","Krap, Cristina P.; Newby, Ruth; Dhakshinamoorthy, Amarajothi; García, Hermenegildo; Cebula, Izabela; Easun, Timothy L.; Savage, Mathew; Eyley, Jennifer E.; Gao, Shan; Blake, Alexander J.; Lewis, William; Beton, Peter H.; Warren, Mark R.; Allan, David R.; Frogley, Mark D.; Tang, Chiu C.; Cinque, Gianfelice; Yang, Sihai; Schröder, Martin","Enhancement of CO2 Adsorption and Catalytic Properties by Fe-Doping of [Ga2(OH)2(L)] (H4L = Biphenyl-3,3',5,5'-tetracarboxylic Acid), MFM-300(Ga2).","Inorganic chemistry","2016","55","3","1076","1088","10.1021/acs.inorgchem.5b02108","","","0.6889","synchrotron","","0.0533","0.0462","","","0.1104","0.1159","","","","","","1.059","","","","has coordinates,has disorder","175610","2020-10-21","18:00:00",""
"4344743","15.0174","0.0007","15.0174","0.0007","11.9111","0.0011","90","","90","","90","","2686.2","0.3","293","2","293","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","MFM-300 (Ga2) Desolvated","","","- C16 H8 Ga2 O10 -","- C16 H8 Ga2 O10 -","- C64 H32 Ga8 O40 -","4","0.25","","Krap, Cristina P.; Newby, Ruth; Dhakshinamoorthy, Amarajothi; García, Hermenegildo; Cebula, Izabela; Easun, Timothy L.; Savage, Mathew; Eyley, Jennifer E.; Gao, Shan; Blake, Alexander J.; Lewis, William; Beton, Peter H.; Warren, Mark R.; Allan, David R.; Frogley, Mark D.; Tang, Chiu C.; Cinque, Gianfelice; Yang, Sihai; Schröder, Martin","Enhancement of CO2 Adsorption and Catalytic Properties by Fe-Doping of [Ga2(OH)2(L)] (H4L = Biphenyl-3,3',5,5'-tetracarboxylic Acid), MFM-300(Ga2).","Inorganic chemistry","2016","55","3","1076","1088","10.1021/acs.inorgchem.5b02108","","","0.6889","synchrotron","","0.0481","0.038","","","0.0968","0.1027","","","","","","1.084","","","","has coordinates","175610","2020-10-21","18:00:00",""
"4344744","15.0535","0.0006","15.0535","0.0006","11.8737","0.001","90","","90","","90","","2690.7","0.3","195","2","195","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","MFM-300 (Ga2) 2.21CO2","","","- C18.21 H8 Ga2 O14.43 -","- C18.212 H8 Ga2 O14.424 -","- C72.848 H32 Ga8 O57.696 -","4","0.25","","Krap, Cristina P.; Newby, Ruth; Dhakshinamoorthy, Amarajothi; García, Hermenegildo; Cebula, Izabela; Easun, Timothy L.; Savage, Mathew; Eyley, Jennifer E.; Gao, Shan; Blake, Alexander J.; Lewis, William; Beton, Peter H.; Warren, Mark R.; Allan, David R.; Frogley, Mark D.; Tang, Chiu C.; Cinque, Gianfelice; Yang, Sihai; Schröder, Martin","Enhancement of CO2 Adsorption and Catalytic Properties by Fe-Doping of [Ga2(OH)2(L)] (H4L = Biphenyl-3,3',5,5'-tetracarboxylic Acid), MFM-300(Ga2).","Inorganic chemistry","2016","55","3","1076","1088","10.1021/acs.inorgchem.5b02108","","","0.6889","synchrotron","","0.0705","0.0571","","","0.1541","0.1673","","","","","","1.114","","","","has coordinates","175610","2020-10-21","18:00:00",""
"4344745","14.932","0.009","14.932","0.009","11.956","0.01","90","","90","","90","","2666","3","293","2","293","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (Ga1.9Fe0.1) Original","","","- C16 H8 Fe0.1 Ga1.9 O13.15 -","- C16 H8 Fe0.1 Ga1.9 O13.18 -","- C64 H32 Fe0.4 Ga7.6 O52.72 -","4","0.25","","Krap, Cristina P.; Newby, Ruth; Dhakshinamoorthy, Amarajothi; García, Hermenegildo; Cebula, Izabela; Easun, Timothy L.; Savage, Mathew; Eyley, Jennifer E.; Gao, Shan; Blake, Alexander J.; Lewis, William; Beton, Peter H.; Warren, Mark R.; Allan, David R.; Frogley, Mark D.; Tang, Chiu C.; Cinque, Gianfelice; Yang, Sihai; Schröder, Martin","Enhancement of CO2 Adsorption and Catalytic Properties by Fe-Doping of [Ga2(OH)2(L)] (H4L = Biphenyl-3,3',5,5'-tetracarboxylic Acid), MFM-300(Ga2).","Inorganic chemistry","2016","55","3","1076","1088","10.1021/acs.inorgchem.5b02108","","","0.6889","synchrotron","","0.0373","0.0356","","","0.0928","0.0942","","","","","","1.084","","","","has coordinates,has disorder","175610","2020-10-21","18:00:00",""
"4344746","14.896","0.006","14.896","0.006","11.939","0.007","90","","90","","90","","2649","2","373","2","373.15","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (Ga1.9Fe0.1) Desolvated","","","- C16 H8 Fe0.1 Ga1.9 O10 -","- C16 H8 Fe0.1 Ga1.9 O10 -","- C64 H32 Fe0.4 Ga7.6 O40 -","4","0.25","","Krap, Cristina P.; Newby, Ruth; Dhakshinamoorthy, Amarajothi; García, Hermenegildo; Cebula, Izabela; Easun, Timothy L.; Savage, Mathew; Eyley, Jennifer E.; Gao, Shan; Blake, Alexander J.; Lewis, William; Beton, Peter H.; Warren, Mark R.; Allan, David R.; Frogley, Mark D.; Tang, Chiu C.; Cinque, Gianfelice; Yang, Sihai; Schröder, Martin","Enhancement of CO2 Adsorption and Catalytic Properties by Fe-Doping of [Ga2(OH)2(L)] (H4L = Biphenyl-3,3',5,5'-tetracarboxylic Acid), MFM-300(Ga2).","Inorganic chemistry","2016","55","3","1076","1088","10.1021/acs.inorgchem.5b02108","","","0.6889","synchrotron","","0.0892","0.0634","","","0.149","0.1622","","","","","","1.132","","","","has coordinates","175610","2020-10-21","18:00:00",""
"4344747","14.924","0.008","14.924","0.008","11.929","0.009","90","","90","","90","","2657","3","195","2","195.15","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (Ga1.9Fe0.1) 2.07CO2","","","- C18.06 H8 Fe0.1 Ga1.9 O14.12 -","- C18.068 H8 Fe0.1 Ga1.9 O14.136 -","- C72.272 H32 Fe0.4 Ga7.6 O56.544 -","4","0.25","","Krap, Cristina P.; Newby, Ruth; Dhakshinamoorthy, Amarajothi; García, Hermenegildo; Cebula, Izabela; Easun, Timothy L.; Savage, Mathew; Eyley, Jennifer E.; Gao, Shan; Blake, Alexander J.; Lewis, William; Beton, Peter H.; Warren, Mark R.; Allan, David R.; Frogley, Mark D.; Tang, Chiu C.; Cinque, Gianfelice; Yang, Sihai; Schröder, Martin","Enhancement of CO2 Adsorption and Catalytic Properties by Fe-Doping of [Ga2(OH)2(L)] (H4L = Biphenyl-3,3',5,5'-tetracarboxylic Acid), MFM-300(Ga2).","Inorganic chemistry","2016","55","3","1076","1088","10.1021/acs.inorgchem.5b02108","","","0.6889","synchrotron","","0.0544","0.05","","","0.139","0.1432","","","","","","1.137","","","","has coordinates","175610","2020-10-21","18:00:00",""
"4344748","10.5869","0.0002","19.5108","0.0004","11.8159","0.0002","90","","90","","90","","2440.68","0.08","120","2","120","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C48 H36 Fe6 O36 -","- C48 H30 Fe6 O36 -","- C96 H60 Fe12 O72 -","2","0.5","","Krap, Cristina P.; Newby, Ruth; Dhakshinamoorthy, Amarajothi; García, Hermenegildo; Cebula, Izabela; Easun, Timothy L.; Savage, Mathew; Eyley, Jennifer E.; Gao, Shan; Blake, Alexander J.; Lewis, William; Beton, Peter H.; Warren, Mark R.; Allan, David R.; Frogley, Mark D.; Tang, Chiu C.; Cinque, Gianfelice; Yang, Sihai; Schröder, Martin","Enhancement of CO2 Adsorption and Catalytic Properties by Fe-Doping of [Ga2(OH)2(L)] (H4L = Biphenyl-3,3',5,5'-tetracarboxylic Acid), MFM-300(Ga2).","Inorganic chemistry","2016","55","3","1076","1088","10.1021/acs.inorgchem.5b02108","","","0.6889","synchrotron","","0.1001","0.0964","","","0.2384","0.2456","","","","","","1.121","","","","has coordinates,has disorder","175610","2020-10-21","18:00:00",""
"4344749","20.5454","0.0018","25.326","0.002","13.8827","0.0012","90","","90","","90","","7223.6","1.1","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H77 Cl6 Eu4 N18 O50.5 -","- C30 H55 Cl5.8265 Eu4 N18 O50.498 -","- C120 H220 Cl23.306 Eu16 N72 O201.992 -","4","1","","Ansari, Seraj A.; Yang, Yanqiu; Zhang, Zhicheng; Gagnon, Kevin J.; Teat, Simon J.; Luo, Shunzhong; Rao, Linfeng","Complexation of Lanthanides with Glutaroimide-dioxime: Binding Strength and Coordination Modes.","Inorganic chemistry","2016","55","3","1315","1323","10.1021/acs.inorgchem.5b02653","","","0.7749","synchrotron","","0.0441","0.0382","","","0.0951","0.0983","","","","","","1.037","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4344750","9.5182","0.0005","9.5182","0.0005","7.0087","0.0005","90","","90","","90","","634.96","0.07","296.4","","296.4","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- Cu4 O17 P4 Sr Ti -","- Cu4 O17 P4 Sr Ti -","- Cu8 O34 P8 Sr2 Ti2 -","2","0.25","","Kimura, Kenta; Sera, Masakazu; Kimura, Tsuyoshi","A(2+) Cation Control of Chiral Domain Formation in A(TiO)Cu4(PO4)4 (A = Ba, Sr).","Inorganic chemistry","2016","55","3","1002","1004","10.1021/acs.inorgchem.5b02622","","","0.71075","MoKα","","","0.0368","","","","0.0394","","","","","","1.07","","","","has coordinates","175612","2020-10-21","18:00:00",""
"4344751","9.6028","0.0005","9.6028","0.0005","7.1209","0.0005","90","","90","","90","","656.65","0.07","294.1","","294.1","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- Ba Cu4 O17 P4 Ti -","- Ba Cu4 O17 P4 Ti -","- Ba2 Cu8 O34 P8 Ti2 -","2","0.25","","Kimura, Kenta; Sera, Masakazu; Kimura, Tsuyoshi","A(2+) Cation Control of Chiral Domain Formation in A(TiO)Cu4(PO4)4 (A = Ba, Sr).","Inorganic chemistry","2016","55","3","1002","1004","10.1021/acs.inorgchem.5b02622","","","0.71075","MoKα","","","0.0398","","","","0.0523","","","","","","1.035","","","","has coordinates","175613","2020-10-21","18:00:00",""
"4344752","18.01","0.004","18.427","0.004","22.874","0.005","103.96","0.009","91.535","0.009","92.898","0.01","7352","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C136 H105 Cl7 N9 Ni5 O25 -","- C136 H86 Cl7 N9 Ni5 O25 -","- C272 H172 Cl14 N18 Ni10 O50 -","2","1","","Perlepe, Panagiota S.; Cunha-Silva, Luís; Gagnon, Kevin J.; Teat, Simon J.; Lampropoulos, Christos; Escuer, Albert; Stamatatos, Theocharis C.","""Ligands-with-Benefits"": Naphthalene-Substituted Schiff Bases Yielding New Ni(II) Metal Clusters with Ferromagnetic and Emissive Properties and Undergoing Exciting Transformations.","Inorganic chemistry","2016","55","3","1270","1277","10.1021/acs.inorgchem.5b02492","","","0.71073","MoKα","","0.059","0.0528","","","0.1454","0.1506","","","","","","1.056","","","","has coordinates","175614","2020-10-21","18:00:00",""
"4344753","16.9856","0.0006","25.1456","0.0011","32.8854","0.0013","72.694","0.002","84.405","0.002","83.388","0.002","13291.1","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C222 H144 Cl13 N13 Ni12 O44 -","- C222 H144 Cl13 N13 Ni12 O43.992 -","- C444 H288 Cl26 N26 Ni24 O87.984 -","2","1","","Perlepe, Panagiota S.; Cunha-Silva, Luís; Gagnon, Kevin J.; Teat, Simon J.; Lampropoulos, Christos; Escuer, Albert; Stamatatos, Theocharis C.","""Ligands-with-Benefits"": Naphthalene-Substituted Schiff Bases Yielding New Ni(II) Metal Clusters with Ferromagnetic and Emissive Properties and Undergoing Exciting Transformations.","Inorganic chemistry","2016","55","3","1270","1277","10.1021/acs.inorgchem.5b02492","","","0.7749","synchrotron","","0.0802","0.0516","","","0.1186","0.1306","","","","","","1.072","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4344754","9.758","0.002","16.575","0.003","21.452","0.004","104.13","0.03","100.68","0.03","96.53","0.03","3260","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 Ce Cu4 I4 N3 O13 -","- C46 H48 Ce Cu4 I4 N3 O13 -","- C92 H96 Ce2 Cu8 I8 N6 O26 -","2","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Ma, Dingxuan; Liang, Hongwei; Gao, Lu; Hua, Jia; Li, Guanghua; Shi, Zhan; Feng, Shouhua","3d-4f Metal-Organic Framework with Dual Luminescent Centers That Efficiently Discriminates the Isomer and Homologues of Small Organic Molecules.","Inorganic chemistry","2016","55","3","1089","1095","10.1021/acs.inorgchem.5b02193","","","0.71073","MoKα","","0.1376","0.0752","","","0.1929","0.2218","","","","","","1.021","","","","has coordinates","175616","2020-10-21","18:00:00",""
"4344755","9.776","0.002","16.337","0.003","21.534","0.004","103.82","0.03","100.74","0.03","95.87","0.03","3242.1","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H47 Cu4 I4 La N3 O13 -","- C46 H46 Cu4 I4 La N3 O12.5 -","- C92 H92 Cu8 I8 La2 N6 O25 -","2","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Ma, Dingxuan; Liang, Hongwei; Gao, Lu; Hua, Jia; Li, Guanghua; Shi, Zhan; Feng, Shouhua","3d-4f Metal-Organic Framework with Dual Luminescent Centers That Efficiently Discriminates the Isomer and Homologues of Small Organic Molecules.","Inorganic chemistry","2016","55","3","1089","1095","10.1021/acs.inorgchem.5b02193","","","0.71073","MoKα","","0.1148","0.0612","","","0.1419","0.1646","","","","","","1.024","","","","has coordinates","175617","2020-10-21","18:00:00",""
"4344756","9.605","0.0019","16.769","0.003","21.155","0.004","104.16","0.03","100.31","0.03","97.16","0.03","3199.4","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 Cu4 I4 N3 O13 Tb -","- C46 H48 Cu4 I4 N3 O13 Tb -","- C92 H96 Cu8 I8 N6 O26 Tb2 -","2","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Ma, Dingxuan; Liang, Hongwei; Gao, Lu; Hua, Jia; Li, Guanghua; Shi, Zhan; Feng, Shouhua","3d-4f Metal-Organic Framework with Dual Luminescent Centers That Efficiently Discriminates the Isomer and Homologues of Small Organic Molecules.","Inorganic chemistry","2016","55","3","1089","1095","10.1021/acs.inorgchem.5b02193","","","0.71073","MoKα","","0.0794","0.0513","","","0.1354","0.1504","","","","","","1.023","","","","has coordinates","175618","2020-10-21","18:00:00",""
"4344757","9.6689","0.0019","16.716","0.003","21.277","0.004","104.23","0.03","100.42","0.03","96.86","0.03","3229.6","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 Cu4 Eu I4 N3 O13 -","- C46 H48 Cu4 Eu I4 N3 O13 -","- C92 H96 Cu8 Eu2 I8 N6 O26 -","2","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Ma, Dingxuan; Liang, Hongwei; Gao, Lu; Hua, Jia; Li, Guanghua; Shi, Zhan; Feng, Shouhua","3d-4f Metal-Organic Framework with Dual Luminescent Centers That Efficiently Discriminates the Isomer and Homologues of Small Organic Molecules.","Inorganic chemistry","2016","55","3","1089","1095","10.1021/acs.inorgchem.5b02193","","","0.71073","MoKα","","0.1404","0.0758","","","0.1708","0.204","","","","","","1.035","","","","has coordinates","175619","2020-10-21","18:00:00",""
"4344758","18.573","0.004","17.051","0.003","16.993","0.003","90","","102.78","0.03","90","","5248.2","1.8","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41.75 H59.75 Br3 Cu2 N11.25 O6.25 -","- C41.75 H59.75 Br3 Cu2 N11.25 O6.25 -","- C167 H239 Br12 Cu8 N45 O25 -","4","1","","Wilting, Alexander; Kügler, Merle; Siewert, Inke","Copper Complexes with NH-Imidazolyl and NH-Pyrazolyl Units and Determination of Their Bond Dissociation Gibbs Energies.","Inorganic chemistry","2016","55","3","1061","1068","10.1021/acs.inorgchem.5b02084","","","0.71073","MoKα","","0.2004","0.112","","","0.2036","0.2432","","","","","","1.109","","","","has coordinates,has disorder","175620","2020-10-21","18:00:00",""
"4344759","9.7087","0.0004","13.8549","0.0006","17.1249","0.0007","82.158","0.003","84.692","0.003","71.183","0.003","2157.13","0.16","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C35.5 H44.5 Br3 Cu2 N8.5 O3.5 -","- C35.5 H44.5 Br3 Cu2 N8.5 O3.5 -","- C71 H89 Br6 Cu4 N17 O7 -","2","1","","Wilting, Alexander; Kügler, Merle; Siewert, Inke","Copper Complexes with NH-Imidazolyl and NH-Pyrazolyl Units and Determination of Their Bond Dissociation Gibbs Energies.","Inorganic chemistry","2016","55","3","1061","1068","10.1021/acs.inorgchem.5b02084","","","0.71073","MoKα","","0.1177","0.0875","","","0.2227","0.2441","","","","","","0.983","","","","has coordinates,has disorder","175620","2020-10-21","18:00:00",""
"4344760","12.415","0.002","20.76","0.004","14.192","0.002","90","","93.289","0.003","90","","3651.8","1.1","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H56 N3 P Si2 -","- C38 H56 N3 P Si2 -","- C152 H224 N12 P4 Si8 -","4","1","","Cui, Haiyan; Zhang, Jianying; Tao, Yunwen; Cui, Chunming","Controlled Oxidation of an NHC-Stabilized Phosphinoaminosilylene with Dioxygen.","Inorganic chemistry","2015","55","1","46","","10.1021/acs.inorgchem.5b02580","","","0.71073","MoKα","","0.0682","0.0536","","","0.1126","0.1199","","","","","","1.094","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344761","20.049","0.009","10.006","0.004","19.544","0.009","90","","103.212","0.007","90","","3817","3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H56 N3 O2 P Si2 -","- C38 H56 N3 O2 P Si2 -","- C152 H224 N12 O8 P4 Si8 -","4","1","","Cui, Haiyan; Zhang, Jianying; Tao, Yunwen; Cui, Chunming","Controlled Oxidation of an NHC-Stabilized Phosphinoaminosilylene with Dioxygen.","Inorganic chemistry","2015","55","1","46","","10.1021/acs.inorgchem.5b02580","","","0.71073","MoKα","","0.0827","0.0684","","","0.1531","0.161","","","","","","1.128","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344762","18.7","0.004","11.581","0.003","17.899","0.004","90","","90","","90","","3876.3","1.6","113","2","113","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H56 N3 O P Si2 -","- C38 H56 N3 O P Si2 -","- C152 H224 N12 O4 P4 Si8 -","4","1","","Cui, Haiyan; Zhang, Jianying; Tao, Yunwen; Cui, Chunming","Controlled Oxidation of an NHC-Stabilized Phosphinoaminosilylene with Dioxygen.","Inorganic chemistry","2015","55","1","46","","10.1021/acs.inorgchem.5b02580","","","0.71073","MoKα","","0.0369","0.0341","","","0.0797","0.0808","","","","","","1.064","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344763","6.5653","0.0002","14.1231","0.0006","12.6927","0.0004","90","","91.462","0.004","90","","1176.51","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 Cu2 N4 -","- C5 H8 Cu2 N4 -","- C20 H32 Cu8 N16 -","4","1","","Xu, Xiao-Yan; Chen, Qiu-Cheng; Yu, Ya-Dong; Huang, Xiao-Chun","Ligand Induced Anionic Cuprous Cyanide Framework for Cupric Ion Turn on Luminescence Sensing and Photocatalytic Degradation of Organic Dyes.","Inorganic chemistry","2015","55","1","75","","10.1021/acs.inorgchem.5b01820","","","0.71073","MoKα","","0.0524","0.0457","","","0.1463","0.1535","","","","","","1.061","","","","has coordinates,has disorder","175623","2020-10-21","18:00:00",""
"4344764","12.4415","0.001","8.5818","0.0004","12.4877","0.0007","90","","105.143","0.006","90","","1287.02","0.14","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C6 H8 Cu3 N5 -","- C6 H8 Cu3 N5 -","- C24 H32 Cu12 N20 -","4","0.5","","Xu, Xiao-Yan; Chen, Qiu-Cheng; Yu, Ya-Dong; Huang, Xiao-Chun","Ligand Induced Anionic Cuprous Cyanide Framework for Cupric Ion Turn on Luminescence Sensing and Photocatalytic Degradation of Organic Dyes.","Inorganic chemistry","2015","55","1","75","","10.1021/acs.inorgchem.5b01820","","","0.71073","MoKα","","0.0544","0.0473","","","0.1281","0.1349","","","","","","1.056","","","","has coordinates,has disorder","175623","2020-10-21","18:00:00",""
"4344765","11.0496","0.001","12.0612","0.0012","14.4233","0.0013","108.317","0.009","96.963","0.007","101.806","0.008","1750.3","0.3","290.92","0.1","290.92","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H49 Na O6 -","- C38 H49 Na O6 -","- C76 H98 Na2 O12 -","2","1","","Sun, Yangyang; Xiong, Jiao; Dai, Zhongran; Pan, Xiaobo; Tang, Ning; Wu, Jincai","Stereoselective Alkali-Metal Catalysts for Highly Isotactic Poly(rac-lactide) Synthesis.","Inorganic chemistry","2015","55","1","136","","10.1021/acs.inorgchem.5b02709","","","1.54184","CuKα","","0.0797","0.0668","","","0.1831","0.1977","","","","","","1.071","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344766","20.5706","0.001","10.8792","0.0005","28.0601","0.0016","90","","91.238","0.006","90","","6278.2","0.6","173.73","","173.73","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H40 K O7 -","- C35 H40 K O7 -","- C280 H320 K8 O56 -","8","1","","Sun, Yangyang; Xiong, Jiao; Dai, Zhongran; Pan, Xiaobo; Tang, Ning; Wu, Jincai","Stereoselective Alkali-Metal Catalysts for Highly Isotactic Poly(rac-lactide) Synthesis.","Inorganic chemistry","2015","55","1","136","","10.1021/acs.inorgchem.5b02709","","x-ray","0.71073","MoKα","","0.0983","0.0563","","","0.0906","0.1091","","","","","","1.04","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344767","20.3","0.002","10.7796","0.0007","14.2425","0.0008","90","","90","","90","","3116.6","0.4","173.73","0.1","173.73","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 K O8 -","- C33 H39 K O8 -","- C132 H156 K4 O32 -","4","1","","Sun, Yangyang; Xiong, Jiao; Dai, Zhongran; Pan, Xiaobo; Tang, Ning; Wu, Jincai","Stereoselective Alkali-Metal Catalysts for Highly Isotactic Poly(rac-lactide) Synthesis.","Inorganic chemistry","2015","55","1","136","","10.1021/acs.inorgchem.5b02709","","x-ray","0.71073","MoKα","","0.1374","0.0694","","","0.0964","0.1229","","","","","","1.005","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344768","9.2808","0.0013","22.016","0.002","19.332","0.003","90","","103.147","0.014","90","","3846.5","0.9","290.92","0.1","290.92","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H53 K O7 -","- C40 H53 K O7 -","- C160 H212 K4 O28 -","4","1","","Sun, Yangyang; Xiong, Jiao; Dai, Zhongran; Pan, Xiaobo; Tang, Ning; Wu, Jincai","Stereoselective Alkali-Metal Catalysts for Highly Isotactic Poly(rac-lactide) Synthesis.","Inorganic chemistry","2015","55","1","136","","10.1021/acs.inorgchem.5b02709","","","0.71073","MoKα","","0.146","0.0833","","","0.1942","0.2463","","","","","","1.036","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344769","21.9891","0.0007","21.9891","0.0007","9.4696","0.0009","90","","90","","120","","3965.3","0.4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 F6 O4 Sr -","- C4 F6 O4 Sr -","- C72 F108 O72 Sr18 -","18","1","","Dissanayake, K. Tauni; Mendoza, Laura M.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A.","Open-Framework Structures of Anhydrous Sr(CF3COO)2 and Ba(CF3COO)2.","Inorganic chemistry","2015","55","1","170","","10.1021/acs.inorgchem.5b02081","","","0.71073","MoKα","","0.0531","0.0286","","","0.0513","0.0554","","","","","","1.02","","","","has coordinates","175628","2020-10-21","18:00:00",""
"4344770","21.2541","0.0018","21.2541","0.0018","10.4984","0.001","90","","90","","120","","4107.1","0.6","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 Ba F6 O4 -","- C4 Ba F6 O4 -","- C72 Ba18 F108 O72 -","18","1","","Dissanayake, K. Tauni; Mendoza, Laura M.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A.","Open-Framework Structures of Anhydrous Sr(CF3COO)2 and Ba(CF3COO)2.","Inorganic chemistry","2015","55","1","170","","10.1021/acs.inorgchem.5b02081","","","0.71073","MoKα","","0.0385","0.0231","","","0.0445","0.051","","","","","","1.097","","","","has coordinates","175629","2020-10-21","18:00:00",""
"4344771","9.4572","0.0003","9.3568","0.0003","16.5456","0.0005","90","","90.71","0.002","90","","1463.99","0.08","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 Ca1.5 F9 O8 -","- C6 H4 Ca1.5 F9 O8 -","- C24 H16 Ca6 F36 O32 -","4","1","","Dissanayake, K. Tauni; Mendoza, Laura M.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A.","Open-Framework Structures of Anhydrous Sr(CF3COO)2 and Ba(CF3COO)2.","Inorganic chemistry","2015","55","1","170","","10.1021/acs.inorgchem.5b02081","","","0.71073","MoKα","","0.1737","0.0925","","","0.2372","0.2628","","","","","","1.057","","","","has coordinates","175630","2020-10-21","18:00:00",""
"4344772","13.1327","0.0008","13.1327","0.0008","7.8434","0.0005","90","","90","","120","","1171.5","0.13","293","2","293","2","","","","","","","","7","P 3","P 3","143","","","","- C10 H11.33 Cr0.33 K Mn2 N4 O8.67 -","- C10 H10 Cr0.333333 K Mn2 N4 O8.66667 -","- C30 H30 Cr K3 Mn6 N12 O26 -","3","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Synthesis, Crystal Structure, and Magnetic Properties of a Chiral Cyanide-Bridged Bimetallic Framework K3[Mn(II)(l-asp)]6[Cr(III)(CN)6]·2H2O.","Inorganic chemistry","2015","55","1","300","","10.1021/acs.inorgchem.5b02399","","","0.71073","MoKα","","0.0482","0.048","","","0.1222","0.1223","","","","","","1.293","","","","has coordinates,has disorder","175631","2020-10-21","18:00:00",""
"4344773","13.1187","0.0007","13.1187","0.0007","7.8357","0.0004","90","","90","","120","","1167.86","0.11","243","2","243","2","","","","","","","","7","P 3","P 3","143","","","","- C10 H11.33 Cr0.33 K Mn2 N4 O8.67 -","- C10 H10 Cr0.333333 K Mn2 N4 O8.66667 -","- C30 H30 Cr K3 Mn6 N12 O26 -","3","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Synthesis, Crystal Structure, and Magnetic Properties of a Chiral Cyanide-Bridged Bimetallic Framework K3[Mn(II)(l-asp)]6[Cr(III)(CN)6]·2H2O.","Inorganic chemistry","2015","55","1","300","","10.1021/acs.inorgchem.5b02399","","","0.71073","MoKα","","0.0464","0.0462","","","0.1197","0.1198","","","","","","1.341","","","","has coordinates,has disorder","175631","2020-10-21","18:00:00",""
"4344774","13.106","0.0007","13.106","0.0007","7.829","0.0004","90","","90","","120","","1164.6","0.11","193","2","193","2","","","","","","","","7","P 3","P 3","143","","","","- C10 H11.33 Cr0.33 K Mn2 N4 O8.67 -","- C10 H10 Cr0.333333 K Mn2 N4 O8.66667 -","- C30 H30 Cr K3 Mn6 N12 O26 -","3","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Synthesis, Crystal Structure, and Magnetic Properties of a Chiral Cyanide-Bridged Bimetallic Framework K3[Mn(II)(l-asp)]6[Cr(III)(CN)6]·2H2O.","Inorganic chemistry","2015","55","1","300","","10.1021/acs.inorgchem.5b02399","","","0.71073","MoKα","","0.0442","0.044","","","0.112","0.1121","","","","","","1.284","","","","has coordinates,has disorder","175631","2020-10-21","18:00:00",""
"4344775","13.0947","0.0007","13.0947","0.0007","7.8233","0.0004","90","","90","","120","","1161.75","0.11","143","2","143","2","","","","","","","","7","P 3","P 3","143","","","","- C10 H11.33 Cr0.33 K Mn2 N4 O8.67 -","- C10 H10 Cr0.333333 K Mn2 N4 O8.66667 -","- C30 H30 Cr K3 Mn6 N12 O26 -","3","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Synthesis, Crystal Structure, and Magnetic Properties of a Chiral Cyanide-Bridged Bimetallic Framework K3[Mn(II)(l-asp)]6[Cr(III)(CN)6]·2H2O.","Inorganic chemistry","2015","55","1","300","","10.1021/acs.inorgchem.5b02399","","","0.71073","MoKα","","0.0429","0.0428","","","0.1123","0.1124","","","","","","1.319","","","","has coordinates,has disorder","175631","2020-10-21","18:00:00",""
"4344776","13.0899","0.0007","13.0899","0.0007","7.8212","0.0004","90","","90","","120","","1160.58","0.11","93","2","93","2","","","","","","","","7","P 3","P 3","143","","","","- C10 H11.33 Cr0.33 K Mn2 N4 O8.67 -","- C10 H10 Cr0.333333 K Mn2 N4 O8.66667 -","- C30 H30 Cr K3 Mn6 N12 O26 -","3","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Synthesis, Crystal Structure, and Magnetic Properties of a Chiral Cyanide-Bridged Bimetallic Framework K3[Mn(II)(l-asp)]6[Cr(III)(CN)6]·2H2O.","Inorganic chemistry","2015","55","1","300","","10.1021/acs.inorgchem.5b02399","","","0.71073","MoKα","","0.0428","0.0427","","","0.112","0.112","","","","","","1.318","","","","has coordinates,has disorder","175631","2020-10-21","18:00:00",""
"4344777","13.1019","0.0005","3.6278","0.0001","6.298","0.0003","90","","117.838","0.005","90","","264.71","0.02","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Co Cr2 Se4 -","- Co1.24 Cr1.76 Se4 -","- Co2.48 Cr3.52 Se8 -","2","0.25","","Svitlyk, V.; Chernyshov, D.; Mozharivskyj, Y.; Yuan, F.; Zaharko, O.; Mezouar, M.","Temperature- and Pressure-Induced Spin Crossover in Co1+xCr2-xSe4 (x = 0.24): A Diffraction Study.","Inorganic chemistry","2015","55","1","338","","10.1021/acs.inorgchem.5b02475","","","0.6983","","","0.034","0.0322","","","0.086","0.0869","","","","","","1.179","","","","has coordinates","175632","2020-10-21","18:00:00",""
"4344778","14.6204","0.0015","18.6371","0.0019","10.142","0.001","90","","97.648","0.002","90","","2738.9","0.5","100","0.5","100","0.5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","neijk01","","","- C58 H88 P2 -","- C58 H88 P2 -","- C116 H176 P4 -","2","0.5","","Kneebone, Jared L.; Fleischauer, Valerie E.; Daifuku, Stephanie L.; Shaps, Ari A.; Bailey, Joseph M.; Iannuzzi, Theresa E.; Neidig, Michael L.","Electronic Structure and Bonding in Iron(II) and Iron(I) Complexes Bearing Bisphosphine Ligands of Relevance to Iron-Catalyzed C-C Cross-Coupling.","Inorganic chemistry","2015","55","1","272","","10.1021/acs.inorgchem.5b02263","","","0.71073","MoKα","","0.0943","0.0512","","","0.108","0.127","","","","","","1.023","","","","has coordinates,has disorder","301840","2025-08-20","23:45:00",""
"4344779","14.135","0.004","28.716","0.008","16.87","0.005","90","","102.479","0.006","90","","6686","3","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","neijk04","","","- C66 H104 Cl2 Fe O4 P2 -","- C66 H104 Cl2 Fe O4 P2 -","- C264 H416 Cl8 Fe4 O16 P8 -","4","1","","Kneebone, Jared L.; Fleischauer, Valerie E.; Daifuku, Stephanie L.; Shaps, Ari A.; Bailey, Joseph M.; Iannuzzi, Theresa E.; Neidig, Michael L.","Electronic Structure and Bonding in Iron(II) and Iron(I) Complexes Bearing Bisphosphine Ligands of Relevance to Iron-Catalyzed C-C Cross-Coupling.","Inorganic chemistry","2015","55","1","272","","10.1021/acs.inorgchem.5b02263","","","0.71073","MoKα","","0.1193","0.0618","","","0.1419","0.1649","","","","","","1.017","","","","has coordinates,has disorder","175633","2020-10-21","18:00:00",""
"4344780","9.381","0.002","10.138","0.002","17.591","0.004","82.096","0.005","81.479","0.005","68.716","0.005","1535.3","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","neijk31","","","- C30 H24 Cl2 Fe P2 -","- C30 H24 Cl2 Fe P2 -","- C60 H48 Cl4 Fe2 P4 -","2","1","","Kneebone, Jared L.; Fleischauer, Valerie E.; Daifuku, Stephanie L.; Shaps, Ari A.; Bailey, Joseph M.; Iannuzzi, Theresa E.; Neidig, Michael L.","Electronic Structure and Bonding in Iron(II) and Iron(I) Complexes Bearing Bisphosphine Ligands of Relevance to Iron-Catalyzed C-C Cross-Coupling.","Inorganic chemistry","2015","55","1","272","","10.1021/acs.inorgchem.5b02263","","","0.71073","MoKα","","0.0657","0.0405","","","0.0969","0.1096","","","","","","1.012","","","","has coordinates","175633","2020-10-21","18:00:00",""
"4344781","16.882","0.004","10.534","0.003","37.753","0.009","90","","93.412","0.004","90","","6702","3","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","neivf02","","","- C39 H32 Cl2 Fe O P2 -","- C39 H32 Cl2 Fe O P2 -","- C312 H256 Cl16 Fe8 O8 P16 -","8","2","","Kneebone, Jared L.; Fleischauer, Valerie E.; Daifuku, Stephanie L.; Shaps, Ari A.; Bailey, Joseph M.; Iannuzzi, Theresa E.; Neidig, Michael L.","Electronic Structure and Bonding in Iron(II) and Iron(I) Complexes Bearing Bisphosphine Ligands of Relevance to Iron-Catalyzed C-C Cross-Coupling.","Inorganic chemistry","2015","55","1","272","","10.1021/acs.inorgchem.5b02263","","","0.71073","MoKα","","0.1202","0.0581","","","0.1198","0.1388","","","","","","1.027","","","","has coordinates","175633","2020-10-21","18:00:00",""
"4344782","14.5951","0.0011","14.2424","0.0011","30.373","0.002","90","","103.265","0.0014","90","","6145.2","0.8","100","0.5","100","0.5","","","","","","","","6","P 1 2/n 1","-P 2yac","13","neijk39","","","- C128 H186 Br2 Fe2 O P4 -","- C128 H186 Br2 Fe2 O P4 -","- C256 H372 Br4 Fe4 O2 P8 -","2","0.5","","Kneebone, Jared L.; Fleischauer, Valerie E.; Daifuku, Stephanie L.; Shaps, Ari A.; Bailey, Joseph M.; Iannuzzi, Theresa E.; Neidig, Michael L.","Electronic Structure and Bonding in Iron(II) and Iron(I) Complexes Bearing Bisphosphine Ligands of Relevance to Iron-Catalyzed C-C Cross-Coupling.","Inorganic chemistry","2015","55","1","272","","10.1021/acs.inorgchem.5b02263","","","0.71073","MoKα","","0.1085","0.0527","","","0.0932","0.1096","","","","","","1.021","","","","has coordinates,has disorder","301840","2025-08-20","23:45:00",""
"4344783","8.037","0.003","10.192","0.003","11.154","0.004","104.877","0.005","98.307","0.005","103.873","0.005","836.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Mn4 N20 O10 -","- C26 H18 Mn4 N20 O10 -","- C26 H18 Mn4 N20 O10 -","1","0.5","","Gong, Teng; Yang, Xiao; Sui, Qi; Qi, Yan; Xi, Fu-Gui; Gao, En-Qing","Magnetic and Photochromic Properties of a Manganese(II) Metal-Zwitterionic Coordination Polymer.","Inorganic chemistry","2015","55","1","96","","10.1021/acs.inorgchem.5b01888","","","0.71073","MoKα","","0.0439","0.0374","","","0.1523","0.1847","","","","","","1.125","","","","has coordinates","175634","2020-10-21","18:00:00",""
"4344784","4.1103","0.0007","4.1662","0.0007","6.4641","0.0011","90","","108.605","0.012","90","","104.91","0.03","297","","297","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- D3.32 Ga2 Nd2 -","- D3.32 Ga2 Nd2 -","- D3.32 Ga2 Nd2 -","1","0.25","","Ångström, Jonas; Johansson, Robert; Sarkar, Tapati; Sørby, Magnus H; Zlotea, Claudia; Andersson, Mikael S.; Nordblad, Per; Scheicher, Ralph H.; Häussermann, Ulrich; Sahlberg, Martin","Hydrogenation-Induced Structure and Property Changes in the Rare-Earth Metal Gallide NdGa: Evolution of a [GaH](2-) Polyanion Containing Peierls-like Ga-H Chains.","Inorganic chemistry","2015","55","1","345","","10.1021/acs.inorgchem.5b02485","powder diffraction","","1.5539","ConstantWavelengthNeutronDiffraction","","","","","","","","","7.6137","","","","","","","","has coordinates","175635","2020-10-21","18:00:00",""
"4344785","9.7614","0.0011","17.681","0.002","18.517","0.002","65.05","0.006","85.142","0.006","75.089","0.006","2799","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H43 B F24 N4 O2 Rh -","- C56 H43 B F24 N4 O2 Rh -","- C112 H86 B2 F48 N8 O4 Rh2 -","2","1","","Desnoyer, Addison N.; Behyan, Shirin; Patrick, Brian O.; Dauth, Alexander; Love, Jennifer A.; Kennepohl, Pierre","Reexamining Oxidation States during the Synthesis of 2-Rhodaoxetanes from Olefins.","Inorganic chemistry","2015","55","1","13","","10.1021/acs.inorgchem.5b02703","","","0.71073","MoKα","","0.1052","0.0708","","","0.1414","0.1513","","","","","","1.106","","","","has coordinates,has disorder","175636","2020-10-21","18:00:00",""
"4344786","24.2228","0.0003","12.44798","0.00016","11.01843","0.00011","90","","93.693","0.001","90","","3315.43","0.07","120","1","120","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H55 N P2 -","- C34 H55 N P2 -","- C136 H220 N4 P8 -","4","0.5","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","1.54184","CuKα","","0.0397","0.036","","","0.0863","0.0884","","","","","","1.079","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344787","10.877","0.006","11.319","0.005","13.556","0.007","83.516","0.012","83.71","0.013","89.019","0.008","1648.3","1.4","100","2","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H54 Li N P2 -","- C34 H54 Li N P2 -","- C68 H108 Li2 N2 P4 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0528","0.0398","","","0.1017","0.1106","","","","","","1.03","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344788","12.65484","0.00012","11.54401","0.00012","13.13616","0.00012","90","","99.685","0.0009","90","","1891.68","0.03","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H54 Cl3 N P2 Ti -","- C34 H54 Cl3 N P2 Ti -","- C68 H108 Cl6 N2 P4 Ti2 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0318","0.0303","","","0.0696","0.0701","","","","","","1.124","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344789","25.0976","0.0003","11.80726","0.00012","26.5517","0.0003","90","","110.531","0.0013","90","","7368.43","0.16","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 Cl3 N P2 Zr -","- C34 H54 Cl3 N P2 Zr -","- C272 H432 Cl24 N8 P16 Zr8 -","8","2","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0668","0.042","","","0.0897","0.0988","","","","","","1.048","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344790","25.084","0.011","11.776","0.006","26.438","0.011","90","","110.629","0.007","90","","7309","6","100","2","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 Cl3 Hf N P2 -","- C34 H54 Cl3 Hf N P2 -","- C272 H432 Cl24 Hf8 N8 P16 -","8","2","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0524","0.0327","","","0.0622","0.0686","","","","","","1.029","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344791","10.896","0.005","11.191","0.005","18.269","0.008","76.78","0.006","77.212","0.007","71.266","0.008","2027.1","1.6","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cl3 N P2 Ti -","- C46 H46 Cl3 N P2 Ti -","- C92 H92 Cl6 N2 P4 Ti2 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0614","0.0455","","","0.1177","0.1294","","","","","","1.05","","","","has coordinates,has disorder","175638","2020-10-21","18:00:00",""
"4344792","11.01348","0.00015","11.11271","0.00016","18.54","0.0003","76.9709","0.0013","77.1365","0.0013","71.1366","0.0013","2064.18","0.06","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cl3 N P2 Zr -","- C46 H46 Cl3 N P2 Zr -","- C92 H92 Cl6 N2 P4 Zr2 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0436","0.0381","","","0.0771","0.0791","","","","","","1.158","","","","has coordinates,has disorder","175638","2020-10-21","18:00:00",""
"4344793","11.09282","0.0001","11.09294","0.00009","18.53238","0.00015","76.932","0.0007","77.1622","0.0007","71.0505","0.0008","2073.43","0.03","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cl3 Hf N P2 -","- C46 H46 Cl3 Hf N P2 -","- C92 H92 Cl6 Hf2 N2 P4 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0364","0.0333","","","0.0642","0.065","","","","","","1.224","","","","has coordinates,has disorder","175638","2020-10-21","18:00:00",""
"4344794","13.12353","0.00013","13.48168","0.00012","22.15079","0.00019","90","","92.1938","0.0008","90","","3916.21","0.06","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H54 I3 N P2 Zr -","- C34 H54 I3 N P2 Zr -","- C136 H216 I12 N4 P8 Zr4 -","4","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","1.54184","CuKα","","0.0495","0.0438","","","0.1041","0.1072","","","","","","1.083","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344795","12.2879","0.0002","14.4319","0.0003","25.2891","0.0006","90","","97.09","0.002","90","","4450.42","0.16","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H70 Cl N O P2 Ti -","- C45 H70 Cl N O P2 Ti -","- C180 H280 Cl4 N4 O4 P8 Ti4 -","4","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0931","0.0741","","","0.1881","0.2022","","","","","","1.075","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344796","11.682","0.006","12.21","0.007","18.137","0.008","88.521","0.008","73.512","0.01","65.768","0.009","2250","2","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H52 I N P2 Zr -","- C53 H52 I N P2 Zr -","- C106 H104 I2 N2 P4 Zr2 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.072","0.0428","","","0.0899","0.1021","","","","","","1.023","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344797","15.0656","0.0003","15.5282","0.0002","21.92283","0.00017","98.0613","0.0009","101.152","0.0012","96.3265","0.0014","4932.07","0.13","110","2","110","1","","","","","","","","6","P -1","-P 1","2","","","","- C56 H60 Cl2 N P2 Zr -","- C56 H60 Cl2 N P2 Zr -","- C224 H240 Cl8 N4 P8 Zr4 -","4","2","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","1.5418","CuKα","","0.0792","0.0649","","","0.1813","0.1902","","","","","","1.088","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344798","9.824","0.005","12.521","0.006","20.151","0.008","99.162","0.007","91.086","0.006","96.061","0.01","2432","2","100","2","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C51.5 H71 N P2 Zr -","- C51.5 H70.5 N P2 Zr -","- C103 H141 N2 P4 Zr2 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0409","0.032","","","0.0806","0.0882","","","","","","1.067","","","","has coordinates,has disorder","175638","2020-10-21","18:00:00",""
"4344799","12.754","0.005","14.325","0.006","15.832","0.007","89.569","0.01","67.665","0.011","88.024","0.008","2673.9","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H67 N P2 Zr -","- C67 H67 N P2 Zr -","- C134 H134 N2 P4 Zr2 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0423","0.0328","","","0.0777","0.0832","","","","","","1.043","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344800","10.16301","0.00005","12.17106","0.00006","25.05925","0.00013","79.0795","0.0004","89.6915","0.0004","70.9254","0.0004","2871.11","0.03","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C70.5 H71 Hf N P2 -","- C70.5 H71 Hf N P2 -","- C141 H142 Hf2 N2 P4 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.032","0.0302","","","0.0653","0.0658","","","","","","1.241","","","","has coordinates,has disorder","301840","2025-08-20","23:45:00",""
"4344801","14.702","0.007","19.615","0.009","24.125","0.011","90","","102.907","0.012","90","","6781","5","100","2","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H82 K N P2 Zr -","- C81 H82 K N P2 Zr -","- C324 H328 K4 N4 P8 Zr4 -","4","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0611","0.0384","","","0.0855","0.0967","","","","","","1.045","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344802","12.87889","0.00017","14.18501","0.00018","16.2618","0.0002","66.3864","0.0012","85.4794","0.0011","75.2037","0.0011","2630.88","0.06","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C49 H54 Cl2 N P3 Zr -","- C49 H54 Cl2 N P3 Zr -","- C98 H108 Cl4 N2 P6 Zr2 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0513","0.0408","","","0.1026","0.1079","","","","","","1.027","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344803","11.76549","0.00016","12.14184","0.00019","22.1227","0.0003","82.5449","0.0013","78.4729","0.0012","65.6661","0.0014","2817.51","0.08","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C67 H66 I N O0.5 P3 Zr -","- C65 H61 I N P3 Zr -","- C130 H122 I2 N2 P6 Zr2 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0657","0.0505","","","0.1245","0.1335","","","","","","1.042","","","","has coordinates,has disorder","175638","2020-10-21","18:00:00",""
"4344804","8.2867","0.0002","9.9403","0.0003","23.3563","0.0016","89.016","0.006","86.264","0.006","73.891","0.005","1844.44","0.15","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H82 N2 O17 -","- C88 H82 N2 O17 -","- C88 H82 N2 O17 -","1","0.5","","Li, Ling; Wang, Chunyan; Wu, Jianjian; Tse, Yu Chung; Cai, Yue-Peng; Wong, Keith Man-Chung","A Molecular Chameleon with Fluorescein and Rhodamine Spectroscopic Behaviors.","Inorganic chemistry","2015","55","1","205","","10.1021/acs.inorgchem.5b02147","","","1.54187","CuKα","","0.1762","0.1426","","","0.3483","0.3784","","","","","","1.068","","","","has coordinates,has disorder","175639","2020-10-21","18:00:00",""
"4344805","8.3836","0.0012","18.751","0.003","23.344","0.003","90","","90","","90","","3669.7","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H31 N O9 -","- C38 H27 N O9 -","- C152 H108 N4 O36 -","4","1","","Li, Ling; Wang, Chunyan; Wu, Jianjian; Tse, Yu Chung; Cai, Yue-Peng; Wong, Keith Man-Chung","A Molecular Chameleon with Fluorescein and Rhodamine Spectroscopic Behaviors.","Inorganic chemistry","2015","55","1","205","","10.1021/acs.inorgchem.5b02147","","","0.71073","MoKα","","0.1144","0.0504","","","0.1273","0.1681","","","","","","1.089","","","","has coordinates","175640","2020-10-21","18:00:00",""
"4344806","9.4129","0.0007","9.4129","0.0007","6.1506","0.0004","90","","90","","120","","471.95","0.06","298","2","298","2","","","","","","","","6","P 3","P 3","143","","","","- C6 H18 Cl2 Co N18 O4 -","- C6 H18 Cl2 Co N18 O4 -","- C6 H18 Cl2 Co N18 O4 -","1","0.333333","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0323","0.0284","","","0.0629","0.0656","","","","","","1.061","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344807","9.5156","0.0002","9.5156","0.0002","6.1577","0.0003","90","","90","","120","","482.86","0.03","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C6 H18 Cl2 Mn N18 O4 -","- C6 H18 Cl2 Mn N18 O4 -","- C6 H18 Cl2 Mn N18 O4 -","1","0.333333","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0176","0.0174","","","0.0446","0.0447","","","","","","1.033","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344808","10.5959","0.0008","19.5181","0.0017","7.731","0.0006","90","","104.956","0.002","90","","1544.7","0.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 Cl2 N12 O8 Zn -","- C4 H12 Cl2 N12 O8 Zn -","- C16 H48 Cl8 N48 O32 Zn4 -","4","0.5","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0996","0.0729","","","0.1954","0.2108","","","","","","1.091","","","","has coordinates","175643","2020-10-21","18:00:00",""
"4344809","9.3258","0.0004","9.3258","0.0004","6.0815","0.0002","90","","90","","120","","458.05","0.03","298","2","298","2","","","","","","","","6","P 3","P 3","143","","","","- C6 H18 Cl2 N18 Ni O4 -","- C6 H18 Cl2 N18 Ni O4 -","- C6 H18 Cl2 N18 Ni O4 -","1","0.333333","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0439","0.0357","","","0.0792","0.0829","","","","","","1.008","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344810","9.454","0.0009","9.454","0.0009","6.1473","0.0011","90","","90","","120","","475.82","0.11","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C6 H18 Cl2 N18 O4 Zn -","- C6 H18 Cl2 N18 O4 Zn -","- C6 H18 Cl2 N18 O4 Zn -","1","0.333333","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0152","0.0151","","","0.0383","0.0383","","","","","","1.122","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344811","10.6001","0.0008","19.3309","0.0018","7.931","0.0006","90","","104.928","0.002","90","","1570.3","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl2 Mn N12 O8 -","- C4 H12 Cl2 Mn N12 O8 -","- C16 H48 Cl8 Mn4 N48 O32 -","4","1","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0649","0.0416","","","0.0942","0.1058","","","","","","1.048","","","","has coordinates","175646","2020-10-21","18:00:00",""
"4344812","20.4062","0.0017","20.4062","0.0017","15.3975","0.0012","90","","90","","90","","6411.7","0.9","298","2","298","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H48 Cd5 Cl10 N48 O16 -","- C16 H48 Cd5 Cl10 N48 O16 -","- C64 H192 Cd20 Cl40 N192 O64 -","4","0.25","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0917","0.0465","","","0.1067","0.1333","","","","","","1.025","","","","has coordinates,has disorder","175647","2020-10-21","18:00:00",""
"4344813","21.4911","0.0011","23.2808","0.0011","12.2729","0.0008","90","","119.763","0.002","90","","5330.5","0.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H45 Cl6 Co3 N24 O34.5 -","- C12 H45 Cl6 Co3 N24 O34.5 -","- C48 H180 Cl24 Co12 N96 O138 -","4","0.5","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","1.54178","CuKα","","0.216","0.1202","","","0.2755","0.3304","","","","","","1.052","","","","has coordinates,has disorder","175648","2020-10-21","18:00:00",""
"4344814","7.6985","0.0005","8.6832","0.0006","10.9672","0.0011","71.118","0.001","72.434","0.001","86.012","0.002","661.01","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H30 Cl4 N12 Ni2 O16 -","- C4 H30 Cl4 N12 Ni2 O16 -","- C4 H30 Cl4 N12 Ni2 O16 -","1","0.5","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0462","0.0413","","","0.1014","0.1058","","","","","","1.037","","","","has coordinates","175649","2020-10-21","18:00:00",""
"4344815","9.137","0.0008","15.4381","0.0013","10.6689","0.0009","90","","103.544","0.002","90","","1463.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H28 Cl4 N12 Ni2 O24 -","- C4 H28 Cl4 N12 Ni2 O24 -","- C8 H56 Cl8 N24 Ni4 O48 -","2","0.5","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0446","0.0318","","","0.0774","0.0846","","","","","","1.046","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344816","21.4322","0.0018","23.054","0.002","12.1309","0.0011","90","","119.618","0.002","90","","5210.7","0.8","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H45 Cl6 N24 Ni3 O34.5 -","- C12 H45 Cl6 N24 Ni3 O34.5 -","- C48 H180 Cl24 N96 Ni12 O138 -","4","0.5","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.1209","0.0845","","","0.2575","0.2862","","","","","","1.13","","","","has coordinates,has disorder","175651","2020-10-21","18:00:00",""
"4344817","23.3951","0.001","8.767","0.0004","36.04","0.0015","90","","90","","90","","7392","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H30 Eu N9 O12 -","- C33 H30 Eu N9 O12 -","- C264 H240 Eu8 N72 O96 -","8","2","","Daumann, Lena J.; Tatum, David S.; Andolina, Christopher M.; Pacold, Joseph I.; D'Aléo, Anthony; Law, Ga-Lai; Xu, Jide; Raymond, Kenneth N.","Effects of Ligand Geometry on the Photophysical Properties of Photoluminescent Eu(III) and Sm(III) 1-Hydroxypyridin-2-one Complexes in Aqueous Solution.","Inorganic chemistry","2016","55","1","114","124","10.1021/acs.inorgchem.5b01927","","","0.71073","MoKα","","0.0218","0.0213","","","0.0484","0.0486","","","","","","1.099","","","","has coordinates,has disorder","301840","2025-08-20","23:45:00",""
"4344818","13.3172","0.0015","13.3353","0.0015","14.6729","0.0017","99.965","0.002","116.208","0.002","91.859","0.002","2285.1","0.5","141","2","141","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H58 Eu N9 O13 -","- C42 H58 Eu N9 O13 -","- C84 H116 Eu2 N18 O26 -","2","1","","Daumann, Lena J.; Tatum, David S.; Andolina, Christopher M.; Pacold, Joseph I.; D'Aléo, Anthony; Law, Ga-Lai; Xu, Jide; Raymond, Kenneth N.","Effects of Ligand Geometry on the Photophysical Properties of Photoluminescent Eu(III) and Sm(III) 1-Hydroxypyridin-2-one Complexes in Aqueous Solution.","Inorganic chemistry","2016","55","1","114","124","10.1021/acs.inorgchem.5b01927","","","0.71073","MoKα","","0.0337","0.0306","","","0.0836","0.0851","","","","","","1.076","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344819","23.473","0.008","8.794","0.003","36.244","0.012","90","","90","","90","","7482","4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H30 N9 O12 Sm -","- C33 H30 N9 O12 Sm -","- C264 H240 N72 O96 Sm8 -","8","2","","Daumann, Lena J.; Tatum, David S.; Andolina, Christopher M.; Pacold, Joseph I.; D'Aléo, Anthony; Law, Ga-Lai; Xu, Jide; Raymond, Kenneth N.","Effects of Ligand Geometry on the Photophysical Properties of Photoluminescent Eu(III) and Sm(III) 1-Hydroxypyridin-2-one Complexes in Aqueous Solution.","Inorganic chemistry","2016","55","1","114","124","10.1021/acs.inorgchem.5b01927","","","0.71073","MoKα","","0.025","0.0236","","","0.0542","0.0551","","","","","","0.996","","","","has coordinates,has disorder","301840","2025-08-20","23:45:00",""
"4344820","13.3434","0.0017","13.345","0.003","14.6758","0.0018","100.121","0.002","116.229","0.002","91.793","0.002","2290.1","0.7","137","2","137","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H58 N9 O13 Sm -","- C42 H58 N9 O13 Sm -","- C84 H116 N18 O26 Sm2 -","2","1","","Daumann, Lena J.; Tatum, David S.; Andolina, Christopher M.; Pacold, Joseph I.; D'Aléo, Anthony; Law, Ga-Lai; Xu, Jide; Raymond, Kenneth N.","Effects of Ligand Geometry on the Photophysical Properties of Photoluminescent Eu(III) and Sm(III) 1-Hydroxypyridin-2-one Complexes in Aqueous Solution.","Inorganic chemistry","2016","55","1","114","124","10.1021/acs.inorgchem.5b01927","","","0.71073","MoKα","","0.0499","0.0353","","","0.0795","0.0855","","","","","","1.045","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344821","25.2389","0.0016","15.3624","0.0009","20.5877","0.0012","90","","94.599","0.003","90","","7956.8","0.8","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Gd3N@D2(35)-C88 . Ni(OEP) . 2 toluene","","","- C138 H60 Gd3 N5 Ni -","- C138 H60 Gd3 N5 Ni -","- C552 H240 Gd12 N20 Ni4 -","4","0.5","","Stevenson, Steven; Arvola, Kristine D.; Fahim, Muska; Martin, Benjamin R.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Isolation and Crystallographic Characterization of Gd3N@D2(35)-C88 through Non-Chromatographic Methods.","Inorganic chemistry","2015","55","1","62","","10.1021/acs.inorgchem.5b01814","","","0.7749","synchrotron","","0.1101","0.0888","","","0.2424","0.267","","","","","","1.036","","","","has coordinates,has disorder","175656","2020-10-21","18:00:00",""
"4344822","9.993","0.01","20.97","0.02","8.424","0.008","90","","102.566","0.014","90","","1723","3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Dy2 N10 O14 -","- C28 H32 Dy2 N10 O14 -","- C56 H64 Dy4 N20 O28 -","2","0.5","","Peng, Yan; Mereacre, Valeriu; Baniodeh, Amer; Lan, Yanhua; Schlageter, Martin; Kostakis, George E.; Powell, Annie K.","Effect of Ligand Field Tuning on the SMM Behavior for Three Related Alkoxide-Bridged Dysprosium Dimers.","Inorganic chemistry","2015","55","1","68","","10.1021/acs.inorgchem.5b01793","","","0.71073","MoKα","","0.0864","0.0711","","","0.1181","0.1257","","","","","","1.078","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344823","11.4774","0.0016","15.404","0.002","8.6564","0.0011","90","","90.972","0.012","90","","1530.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Dy2 N8 O16 -","- C20 H30 Dy2 N8 O16 -","- C40 H60 Dy4 N16 O32 -","2","0.5","","Peng, Yan; Mereacre, Valeriu; Baniodeh, Amer; Lan, Yanhua; Schlageter, Martin; Kostakis, George E.; Powell, Annie K.","Effect of Ligand Field Tuning on the SMM Behavior for Three Related Alkoxide-Bridged Dysprosium Dimers.","Inorganic chemistry","2015","55","1","68","","10.1021/acs.inorgchem.5b01793","","","0.71073","MoKα","","0.0497","0.0391","","","0.0918","0.0989","","","","","","0.986","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344824","16.0416","0.0006","13.7439","0.0006","16.7924","0.0008","90","","90","","90","","3702.3","0.3","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H36 Dy2 N10 O16 -","- C30 H36 Dy2 N10 O16 -","- C120 H144 Dy8 N40 O64 -","4","0.5","","Peng, Yan; Mereacre, Valeriu; Baniodeh, Amer; Lan, Yanhua; Schlageter, Martin; Kostakis, George E.; Powell, Annie K.","Effect of Ligand Field Tuning on the SMM Behavior for Three Related Alkoxide-Bridged Dysprosium Dimers.","Inorganic chemistry","2015","55","1","68","","10.1021/acs.inorgchem.5b01793","","","0.71073","MoKα","","0.026","0.0213","","","0.0502","0.0513","","","","","","1.013","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344825","11.1084","0.0004","12.6969","0.0004","15.4779","0.0005","90","","102.213","0.001","90","","2133.63","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 Pt Sn -","- C20 H40 Pt Sn -","- C80 H160 Pt4 Sn4 -","4","1","","Koppaka, Anjaneyulu; Yempally, Veeranna; Zhu, Lei; Fortman, George C.; Temprado, Manuel; Hoff, Carl D.; Captain, Burjor","Synthesis of [Pt(SnBu(t)3)(IBu(t))(μ-H)]2, a Coordinatively Unsaturated Dinuclear Compound which Fragments upon Addition of Small Molecules to Form Mononuclear Pt-Sn Complexes.","Inorganic chemistry","2015","55","1","307","","10.1021/acs.inorgchem.5b02441","","","0.71073","MoKα","","0.0283","0.0183","","","0.0382","0.0411","","","","","","1.019","","","","has coordinates","175660","2020-10-21","18:00:00",""
"4344826","9.071","0.0004","17.9933","0.0007","16.1327","0.0006","90","","104.973","0.001","90","","2543.73","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H90 Pt2 Sn4 -","- C40 H90 Pt2 Sn4 -","- C80 H180 Pt4 Sn8 -","2","0.5","","Koppaka, Anjaneyulu; Yempally, Veeranna; Zhu, Lei; Fortman, George C.; Temprado, Manuel; Hoff, Carl D.; Captain, Burjor","Synthesis of [Pt(SnBu(t)3)(IBu(t))(μ-H)]2, a Coordinatively Unsaturated Dinuclear Compound which Fragments upon Addition of Small Molecules to Form Mononuclear Pt-Sn Complexes.","Inorganic chemistry","2015","55","1","307","","10.1021/acs.inorgchem.5b02441","","","0.71073","MoKα","","0.0352","0.0242","","","0.0555","0.0613","","","","","","1.024","","","","has coordinates","175660","2020-10-21","18:00:00",""
"4344827","9.1706","0.0003","11.9962","0.0004","12.707","0.0005","97.1493","0.0005","99.4757","0.0005","102.945","0.0005","1324.75","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H90 O2 Pt2 Sn4 -","- C42 H90 O2 Pt2 Sn4 -","- C42 H90 O2 Pt2 Sn4 -","1","0.5","","Koppaka, Anjaneyulu; Yempally, Veeranna; Zhu, Lei; Fortman, George C.; Temprado, Manuel; Hoff, Carl D.; Captain, Burjor","Synthesis of [Pt(SnBu(t)3)(IBu(t))(μ-H)]2, a Coordinatively Unsaturated Dinuclear Compound which Fragments upon Addition of Small Molecules to Form Mononuclear Pt-Sn Complexes.","Inorganic chemistry","2015","55","1","307","","10.1021/acs.inorgchem.5b02441","","","0.71073","MoKα","","0.042","0.0391","","","0.0974","0.0993","","","","","","1.042","","","","has coordinates,has disorder","175660","2020-10-21","18:00:00",""
"4344828","10.1742","0.0001","11.768","0.0001","13.5031","0.0002","102.181","0.001","106.693","0.001","113.155","0.001","1324.02","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H96 N4 Pt2 Sn2 -","- C46 H96 N4 Pt2 Sn2 -","- C46 H96 N4 Pt2 Sn2 -","1","0.5","","Koppaka, Anjaneyulu; Yempally, Veeranna; Zhu, Lei; Fortman, George C.; Temprado, Manuel; Hoff, Carl D.; Captain, Burjor","Synthesis of [Pt(SnBu(t)3)(IBu(t))(μ-H)]2, a Coordinatively Unsaturated Dinuclear Compound which Fragments upon Addition of Small Molecules to Form Mononuclear Pt-Sn Complexes.","Inorganic chemistry","2015","55","1","307","","10.1021/acs.inorgchem.5b02441","","","0.71073","MoKα","","0.0159","0.0153","","","0.0384","0.0387","","","","","","1.067","","","","has coordinates","175660","2020-10-21","18:00:00",""
"4344829","12.6631","0.0003","27.5135","0.0007","17.6146","0.0004","90","","104.694","0.001","90","","5936.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 N2 O Pt Sn -","- C24 H48 N2 O Pt Sn -","- C192 H384 N16 O8 Pt8 Sn8 -","8","2","","Koppaka, Anjaneyulu; Yempally, Veeranna; Zhu, Lei; Fortman, George C.; Temprado, Manuel; Hoff, Carl D.; Captain, Burjor","Synthesis of [Pt(SnBu(t)3)(IBu(t))(μ-H)]2, a Coordinatively Unsaturated Dinuclear Compound which Fragments upon Addition of Small Molecules to Form Mononuclear Pt-Sn Complexes.","Inorganic chemistry","2015","55","1","307","","10.1021/acs.inorgchem.5b02441","","","0.71073","MoKα","","0.0483","0.0286","","","0.0563","0.063","","","","","","1.013","","","","has coordinates","175660","2020-10-21","18:00:00",""
"4344830","9.3026","0.0003","12.3233","0.0005","14.8142","0.0006","96.221","0.001","93.012","0.001","110.332","0.001","1575.66","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H52 N2 Pt Sn -","- C25 H52 N2 Pt Sn -","- C50 H104 N4 Pt2 Sn2 -","2","1","","Koppaka, Anjaneyulu; Yempally, Veeranna; Zhu, Lei; Fortman, George C.; Temprado, Manuel; Hoff, Carl D.; Captain, Burjor","Synthesis of [Pt(SnBu(t)3)(IBu(t))(μ-H)]2, a Coordinatively Unsaturated Dinuclear Compound which Fragments upon Addition of Small Molecules to Form Mononuclear Pt-Sn Complexes.","Inorganic chemistry","2015","55","1","307","","10.1021/acs.inorgchem.5b02441","","","0.71073","MoKα","","0.0319","0.0295","","","0.0984","0.0997","","","","","","1.106","","","","has coordinates","175660","2020-10-21","18:00:00",""
"4344831","11.9259","0.0005","13.905","0.0006","26.0856","0.001","90","","90","","90","","4325.8","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H74 N2 O Pt Sn2 -","- C36 H74 N2 O Pt Sn2 -","- C144 H296 N8 O4 Pt4 Sn8 -","4","1","","Koppaka, Anjaneyulu; Yempally, Veeranna; Zhu, Lei; Fortman, George C.; Temprado, Manuel; Hoff, Carl D.; Captain, Burjor","Synthesis of [Pt(SnBu(t)3)(IBu(t))(μ-H)]2, a Coordinatively Unsaturated Dinuclear Compound which Fragments upon Addition of Small Molecules to Form Mononuclear Pt-Sn Complexes.","Inorganic chemistry","2015","55","1","307","","10.1021/acs.inorgchem.5b02441","","","0.71073","MoKα","","0.05","0.0325","","","0.0629","0.0685","","","","","","1.005","","","","has coordinates","175660","2020-10-21","18:00:00",""
"4344832","31.1408","0.0015","12.9786","0.0006","28.8175","0.0014","90","","100.788","0.0014","90","","11441.1","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C102 H75 N32 O18 Ru3 -","- C102 H75 N32 O18 Ru3 -","- C408 H300 N128 O72 Ru12 -","4","1","","Chowdhury, Bijit; Dutta, Ranjan; Khatua, Snehadrinarayan; Ghosh, Pradyut","A Cyanuric Acid Platform Based Tripodal Bis-heteroleptic Ru(II) Complex of Click Generated Ligand for Selective Sensing of Phosphates via C-H···Anion Interaction.","Inorganic chemistry","2015","55","1","259","","10.1021/acs.inorgchem.5b02243","","","0.71073","MoKα","","0.1174","0.0941","","","0.2688","0.2886","","","","","","1.04","","","","has coordinates,has disorder","175661","2020-10-21","18:00:00",""
"4344833","4.7091","0.0019","7.599","0.002","18.744","0.006","90","","90","","90","","670.7","0.4","298","","298","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- B3 H12 K N2 -","- B3 H12 K N2 -","- B12 H48 K4 N8 -","4","0.25","","Owarzany, Rafał; Fijalkowski, Karol J.; Jaroń, Tomasz; Leszczyński, Piotr J; Dobrzycki, Łukasz; Cyrański, Michał K; Grochala, Wojciech","Complete Series of Alkali-Metal M(BH3NH2BH2NH2BH3) Hydrogen-Storage Salts Accessed via Metathesis in Organic Solvents.","Inorganic chemistry","2015","55","1","37","","10.1021/acs.inorgchem.5b01688","powder diffraction","x-ray","1.5418","CuKα","","0.0404","0.0396","","0.0463","0.0462","","","","2.32","","","","","","","has coordinates","175662","2020-10-21","18:00:00",""
"4344834","10.2994","0.0007","16.7354","0.0011","17.2881","0.0011","109.271","0.002","106.083","0.002","96.18","0.002","2636.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H52 B3 N6 P -","- C18 H52 B3 N6 P -","- C72 H208 B12 N24 P4 -","4","2","","Owarzany, Rafał; Fijalkowski, Karol J.; Jaroń, Tomasz; Leszczyński, Piotr J; Dobrzycki, Łukasz; Cyrański, Michał K; Grochala, Wojciech","Complete Series of Alkali-Metal M(BH3NH2BH2NH2BH3) Hydrogen-Storage Salts Accessed via Metathesis in Organic Solvents.","Inorganic chemistry","2015","55","1","37","","10.1021/acs.inorgchem.5b01688","","","0.71073","MoKα","","0.0534","0.0381","","","0.0876","0.0958","","","","","","1.034","","","","has coordinates","175663","2020-10-21","18:00:00",""
"4344835","18.89","0.004","9.6485","0.0018","8.1285","0.0016","90","","90","","90","","1481.5","0.5","298","","298","","","","","","","","","4","P n c n","-P 2ab 2n","52","","","","- B3 Cs H12 N2 -","- B3 Cs H12 N2 -","- B24 Cs8 H96 N16 -","8","1","","Owarzany, Rafał; Fijalkowski, Karol J.; Jaroń, Tomasz; Leszczyński, Piotr J; Dobrzycki, Łukasz; Cyrański, Michał K; Grochala, Wojciech","Complete Series of Alkali-Metal M(BH3NH2BH2NH2BH3) Hydrogen-Storage Salts Accessed via Metathesis in Organic Solvents.","Inorganic chemistry","2015","55","1","37","","10.1021/acs.inorgchem.5b01688","powder diffraction","x-ray","1.5418","CuKα","","0.0669","0.0641","","0.061","0.0603","","","","1.99","","","","","","","has coordinates","175664","2020-10-21","18:00:00",""
"4344836","7.5748","0.0012","4.7269","0.0007","19.629","0.003","90","","97.304","0.005","90","","697.12","0.19","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 H12 N2 Rb -","- B3 H12 N2 Rb -","- B12 H48 N8 Rb4 -","4","1","","Owarzany, Rafał; Fijalkowski, Karol J.; Jaroń, Tomasz; Leszczyński, Piotr J; Dobrzycki, Łukasz; Cyrański, Michał K; Grochala, Wojciech","Complete Series of Alkali-Metal M(BH3NH2BH2NH2BH3) Hydrogen-Storage Salts Accessed via Metathesis in Organic Solvents.","Inorganic chemistry","2015","55","1","37","","10.1021/acs.inorgchem.5b01688","powder diffraction","x-ray","1.5418","CuKα","","0.0294","0.0294","","0.0326","0.0326","","","","1.18","","","","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344837","18.154","0.0012","21.3364","0.0012","19.1704","0.0012","90","","114.733","0.003","90","","6744.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 F12 N6 P2 Ru -","- C23 H22 F12 N8 P2 Ru -","- C184 H176 F96 N64 P16 Ru8 -","8","2","","Li, Ao; White, Jessica K.; Arora, Karan; Herroon, Mackenzie K.; Martin, Philip D.; Schlegel, H. Bernhard; Podgorski, Izabela; Turro, Claudia; Kodanko, Jeremy J.","Selective Release of Aromatic Heterocycles from Ruthenium Tris(2-pyridylmethyl)amine with Visible Light.","Inorganic chemistry","2015","55","1","10","","10.1021/acs.inorgchem.5b02600","","","0.71073","MoKα","","0.1298","0.1122","","","0.2984","0.3163","","","","","","1.045","","","","has coordinates","175666","2020-10-21","18:00:00",""
"4344838","17.5692","0.0011","9.9426","0.0006","18.2432","0.0012","90","","93.013","0.004","90","","3182.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 F12 N6 P2 Ru -","- C28 H28 F12 N6 P2 Ru -","- C112 H112 F48 N24 P8 Ru4 -","4","1","","Li, Ao; White, Jessica K.; Arora, Karan; Herroon, Mackenzie K.; Martin, Philip D.; Schlegel, H. Bernhard; Podgorski, Izabela; Turro, Claudia; Kodanko, Jeremy J.","Selective Release of Aromatic Heterocycles from Ruthenium Tris(2-pyridylmethyl)amine with Visible Light.","Inorganic chemistry","2015","55","1","10","","10.1021/acs.inorgchem.5b02600","","","0.71073","MoKα","","0.0359","0.0282","","","0.0606","0.0644","","","","","","1.023","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344839","13.9585","0.0004","13.9585","0.0004","20.0529","0.0008","90","","90","","90","","3907.1","0.2","150","","150","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C36 H24 Cl Cu4 N15 O21 -","- C36 H24 Cl Cu4 N15 O21 -","- C72 H48 Cl2 Cu8 N30 O42 -","2","0.0625","","Ye, Yingxiang; Xiong, Shunshun; Wu, Xiaonan; Zhang, Liuqin; Li, Ziyin; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Microporous Metal-Organic Framework Stabilized by Balanced Multiple Host-Couteranion Hydrogen-Bonding Interactions for High-Density CO2 Capture at Ambient Conditions.","Inorganic chemistry","2015","55","1","292","","10.1021/acs.inorgchem.5b02316","","","1.54184","CuKα","","0.0527","0.0494","","","0.1432","0.1461","","","","","","1.079","","","","has coordinates,has disorder","175668","2020-10-21","18:00:00",""
"4344840","14.2066","0.0002","14.2066","0.0002","19.8137","0.0004","90","","90","","90","","3998.95","0.11","150","","150","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C36 H24 Cl4 Cu4 N12 O24 -","- C36 H24 Cl4 Cu4 N12 O24 -","- C72 H48 Cl8 Cu8 N24 O48 -","2","0.0625","","Ye, Yingxiang; Xiong, Shunshun; Wu, Xiaonan; Zhang, Liuqin; Li, Ziyin; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Microporous Metal-Organic Framework Stabilized by Balanced Multiple Host-Couteranion Hydrogen-Bonding Interactions for High-Density CO2 Capture at Ambient Conditions.","Inorganic chemistry","2015","55","1","292","","10.1021/acs.inorgchem.5b02316","","","1.54184","CuKα","","0.0982","0.0966","","","0.2861","0.2886","","","","","","1.079","","","","has coordinates,has disorder","175668","2020-10-21","18:00:00",""
"4344841","14.1125","0.0005","14.1125","0.0005","19.8583","0.0007","90","","90","","90","","3955","0.2","150","","150","","","","","","","","","8","I 4/m m m","-I 4 2","139","","","","- C36 H24 B3 Cl Cu4 F12 N12 O12 -","- C36 H24 B3 Cl Cu4 F12 N12 O12 -","- C72 H48 B6 Cl2 Cu8 F24 N24 O24 -","2","0.0625","","Ye, Yingxiang; Xiong, Shunshun; Wu, Xiaonan; Zhang, Liuqin; Li, Ziyin; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Microporous Metal-Organic Framework Stabilized by Balanced Multiple Host-Couteranion Hydrogen-Bonding Interactions for High-Density CO2 Capture at Ambient Conditions.","Inorganic chemistry","2015","55","1","292","","10.1021/acs.inorgchem.5b02316","","","1.54184","CuKα","","0.0808","0.0677","","","0.192","0.2068","","","","","","1.081","","","","has coordinates,has disorder","175668","2020-10-21","18:00:00",""
"4344842","14.1245","0.0007","14.1245","0.0007","19.9049","0.001","90","","90","","90","","3971.1","0.3","221","100","221","100","","","","","","","","8","I 4/m m m","-I 4 2","139","","","","- C36 H24 B3 Cl Cu4 F12 N12 O12 -","- C36 H24 B3 Cl Cu4 F12 N12 O12 -","- C72 H48 B6 Cl2 Cu8 F24 N24 O24 -","2","0.0625","","Ye, Yingxiang; Xiong, Shunshun; Wu, Xiaonan; Zhang, Liuqin; Li, Ziyin; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Microporous Metal-Organic Framework Stabilized by Balanced Multiple Host-Couteranion Hydrogen-Bonding Interactions for High-Density CO2 Capture at Ambient Conditions.","Inorganic chemistry","2015","55","1","292","","10.1021/acs.inorgchem.5b02316","","x-ray","1.54184","CuKα","","0.1215","0.1123","","","0.3262","0.3538","","","","","","1.061","","","","has coordinates,has disorder","175668","2020-10-21","18:00:00",""
"4344843","14.0241","0.0007","14.0241","0.0007","19.9373","0.0011","90","","90","","90","","3921.2","0.4","100","","100","","","","","","","","","8","I 4/m m m","-I 4 2","139","","","","- C36.94 H24 B3 Cl Cu4 F12 N12 O13.87 -","- C36.9338 H24 B3 Cl Cu4 F12 N12 O13.868 -","- C73.8676 H48 B6 Cl2 Cu8 F24 N24 O27.736 -","2","0.0625","","Ye, Yingxiang; Xiong, Shunshun; Wu, Xiaonan; Zhang, Liuqin; Li, Ziyin; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Microporous Metal-Organic Framework Stabilized by Balanced Multiple Host-Couteranion Hydrogen-Bonding Interactions for High-Density CO2 Capture at Ambient Conditions.","Inorganic chemistry","2015","55","1","292","","10.1021/acs.inorgchem.5b02316","","x-ray","1.54184","CuKα","","0.1066","0.0936","","","0.2499","0.2703","","","","","","1.087","","","","has coordinates,has disorder","175668","2020-10-21","18:00:00",""
"4344844","16.869","0.002","11.9137","0.0008","33.174","0.003","90","","90.995","0.008","90","","6666","1.1","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","Ru Cl I N4 C16 H36","","","- C27 H44 Cl2 N4 Ru -","- C27 H44 Cl2 N4 Ru -","- C216 H352 Cl16 N32 Ru8 -","8","2","","Mosquera, Marta E. G.; Gomez-Sal, Pilar; Diaz, Isabel; Aguirre, Lina M.; Ienco, A.; Manca, Gabriele; Mealli, Carlo","Intriguing I2 Reduction in the Iodide for Chloride Ligand Substitution at a Ru(II) Complex: Role of Mixed Trihalides in the Redox Mechanism.","Inorganic chemistry","2015","55","1","283","","10.1021/acs.inorgchem.5b02307","","x-ray","0.71073","MoKα","","0.1563","0.0806","","","0.1675","0.212","","","","","","1.048","","","","has coordinates","175669","2020-10-21","18:00:00",""
"4344845","11.7096","0.0011","11.7096","0.0011","13.787","0.0017","90","0.01","90","","90","","1890.4","0.3","200","2","200","2","","","","","","","synthesis as described","6","P 42/m n m","-P 4n 2n","136","","","","- C20 H36 Cl2 I4 N4 Ru -","- C20 H36 Cl2 I4 N4 Ru -","- C40 H72 Cl4 I8 N8 Ru2 -","2","0.125","","Mosquera, Marta E. G.; Gomez-Sal, Pilar; Diaz, Isabel; Aguirre, Lina M.; Ienco, A.; Manca, Gabriele; Mealli, Carlo","Intriguing I2 Reduction in the Iodide for Chloride Ligand Substitution at a Ru(II) Complex: Role of Mixed Trihalides in the Redox Mechanism.","Inorganic chemistry","2015","55","1","283","","10.1021/acs.inorgchem.5b02307","","x-ray","0.71073","MoKα","","0.0849","0.0645","","","0.1863","0.2134","","","","","","1.137","","","","has coordinates","175669","2020-10-21","18:00:00",""
"4344846","11.377","0.001","15.197","0.001","18.484","0.003","90","","106.64","0.02","90","","3062","0.7","200","2","200","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 I4 N4 Ru -","- C20 H36 I4 N4 Ru -","- C80 H144 I16 N16 Ru4 -","4","0.5","","Mosquera, Marta E. G.; Gomez-Sal, Pilar; Diaz, Isabel; Aguirre, Lina M.; Ienco, A.; Manca, Gabriele; Mealli, Carlo","Intriguing I2 Reduction in the Iodide for Chloride Ligand Substitution at a Ru(II) Complex: Role of Mixed Trihalides in the Redox Mechanism.","Inorganic chemistry","2015","55","1","283","","10.1021/acs.inorgchem.5b02307","","x-ray","0.71073","MoKα","","0.0692","0.04","","","0.089","0.1011","","","","","","1.021","","","","has coordinates","175669","2020-10-21","18:00:00",""
"4344847","22.735","0.003","14.945","0.002","11.6353","0.0012","90","","90","","90","","3953.4","0.8","200","2","200","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C20 H36 Cl I7 N4 Ru -","- C20 H36 Cl I7 N4 Ru -","- C80 H144 Cl4 I28 N16 Ru4 -","4","0.5","","Mosquera, Marta E. G.; Gomez-Sal, Pilar; Diaz, Isabel; Aguirre, Lina M.; Ienco, A.; Manca, Gabriele; Mealli, Carlo","Intriguing I2 Reduction in the Iodide for Chloride Ligand Substitution at a Ru(II) Complex: Role of Mixed Trihalides in the Redox Mechanism.","Inorganic chemistry","2015","55","1","283","","10.1021/acs.inorgchem.5b02307","","x-ray","0.71073","MoKα","","0.159","0.1302","","","0.3223","0.3422","","","","","","0.938","","","","has coordinates","175669","2020-10-21","18:00:00",""
"4344848","10.682","0.0009","7.9377","0.0005","10.7804","0.0009","90","","102.837","0.007","90","","891.23","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(3,5-Dimethylpyrazol-4-yl)-1,2,4-triazole Monohydrate","","- C7 H11 N5 O -","- C7 H11 N5 O -","- C28 H44 N20 O4 -","4","1","","Lysenko, Andrey B.; Senchyk, Ganna A.; Lukashuk, Liliana V.; Domasevitch, Konstantin V.; Handke, Marcel; Lincke, Jörg; Krautscheid, Harald; Rusanov, Eduard B.; Krämer, Karl W; Decurtins, Silvio; Liu, Shi-Xia","Composition Space Analysis in the Development of Copper Molybdate Hybrids Decorated by a Bifunctional Pyrazolyl/1,2,4-Triazole Ligand.","Inorganic chemistry","2015","55","1","239","","10.1021/acs.inorgchem.5b02188","","","0.71073","MoKα","","0.0436","0.0374","","","0.0998","0.1036","","","","","","1.022","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344849","15.6052","0.001","7.1386","0.0004","19.6934","0.0017","90","","90","","90","","2193.8","0.3","213","2","213","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","poly-[bis-(4-(3,5-Dimethylpyrazol-4-yl)-1,2,4-triazole)-sulfato- copper(II)] Trihydrate","","- C14 H24 Cu N10 O7 S -","- C14 H20 Cu N10 O7 S -","- C56 H80 Cu4 N40 O28 S4 -","4","0.5","","Lysenko, Andrey B.; Senchyk, Ganna A.; Lukashuk, Liliana V.; Domasevitch, Konstantin V.; Handke, Marcel; Lincke, Jörg; Krautscheid, Harald; Rusanov, Eduard B.; Krämer, Karl W; Decurtins, Silvio; Liu, Shi-Xia","Composition Space Analysis in the Development of Copper Molybdate Hybrids Decorated by a Bifunctional Pyrazolyl/1,2,4-Triazole Ligand.","Inorganic chemistry","2015","55","1","239","","10.1021/acs.inorgchem.5b02188","","","0.71073","MoKα","","0.0759","0.0521","","","0.1102","0.1144","","","","","","1.113","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4344850","8.8328","0.0008","7.572","0.0008","11.472","0.001","90","","90.605","0.004","90","","767.23","0.13","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","poly-[(4-(3,5-Dimethylpyrazol-4-yl)-1,2,4-triazole)copper(II) trimolybdate(VI)]","","- C7 H9 Cu Mo3 N5 O10 -","- C7 H9 Cu Mo3 N5 O10 -","- C14 H18 Cu2 Mo6 N10 O20 -","2","0.5","","Lysenko, Andrey B.; Senchyk, Ganna A.; Lukashuk, Liliana V.; Domasevitch, Konstantin V.; Handke, Marcel; Lincke, Jörg; Krautscheid, Harald; Rusanov, Eduard B.; Krämer, Karl W; Decurtins, Silvio; Liu, Shi-Xia","Composition Space Analysis in the Development of Copper Molybdate Hybrids Decorated by a Bifunctional Pyrazolyl/1,2,4-Triazole Ligand.","Inorganic chemistry","2015","55","1","239","","10.1021/acs.inorgchem.5b02188","","","0.71073","MoKα","","0.0447","0.0341","","","0.0689","0.0733","","","","","","1.055","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4344851","10.7634","0.0008","12.7047","0.0011","24.903","0.002","85.739","0.007","83.475","0.007","69.563","0.006","3168.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","poly-[tetrakis-(4-(3,5-Dimethylpyrazol-4-yl)-1,2,4-triazole)- tetrahydroxido-tetracopper(II) octamolybdate(VI) Hexahydrate]","","- C28 H52 Cu4 Mo8 N20 O36 -","- C28 H40 Cu4 Mo8 N20 O30 -","- C56 H80 Cu8 Mo16 N40 O60 -","2","1","","Lysenko, Andrey B.; Senchyk, Ganna A.; Lukashuk, Liliana V.; Domasevitch, Konstantin V.; Handke, Marcel; Lincke, Jörg; Krautscheid, Harald; Rusanov, Eduard B.; Krämer, Karl W; Decurtins, Silvio; Liu, Shi-Xia","Composition Space Analysis in the Development of Copper Molybdate Hybrids Decorated by a Bifunctional Pyrazolyl/1,2,4-Triazole Ligand.","Inorganic chemistry","2015","55","1","239","","10.1021/acs.inorgchem.5b02188","","","0.71073","MoKα","","0.1425","0.0664","","","0.1617","0.1851","","","","","","0.871","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4344852","7.7513","0.0009","8.1832","0.0008","10.4169","0.0011","74.226","0.01","89.356","0.009","79.982","0.01","625.72","0.12","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","poly-[bis-(4-(3,5-Dimethylpyrazol-4-yl)-1,2,4-triazole)copper(II) tetramolybdate(VI)]","","- C14 H18 Cu Mo4 N10 O13 -","- C14 H18 Cu Mo4 N10 O13 -","- C14 H18 Cu Mo4 N10 O13 -","1","0.5","","Lysenko, Andrey B.; Senchyk, Ganna A.; Lukashuk, Liliana V.; Domasevitch, Konstantin V.; Handke, Marcel; Lincke, Jörg; Krautscheid, Harald; Rusanov, Eduard B.; Krämer, Karl W; Decurtins, Silvio; Liu, Shi-Xia","Composition Space Analysis in the Development of Copper Molybdate Hybrids Decorated by a Bifunctional Pyrazolyl/1,2,4-Triazole Ligand.","Inorganic chemistry","2015","55","1","239","","10.1021/acs.inorgchem.5b02188","","","0.71073","MoKα","","0.0223","0.0165","","","0.035","0.0355","","","","","","0.919","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4344853","7.3278","0.0009","8.2854","0.001","12.8319","0.0011","76.813","0.01","85.869","0.011","64.911","0.01","686.69","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","poly[di-μ-oxido-[4-(3,5-Dimethylpyrazol-4-yl)-1,2,4-triazole- κ^4^N1:N2]-tetraoxodimolybdenum(VI)] Monohydrate","","- C7 H11 Mo2 N5 O7 -","- C7 H11 Mo2 N5 O7 -","- C14 H22 Mo4 N10 O14 -","2","1","","Lysenko, Andrey B.; Senchyk, Ganna A.; Lukashuk, Liliana V.; Domasevitch, Konstantin V.; Handke, Marcel; Lincke, Jörg; Krautscheid, Harald; Rusanov, Eduard B.; Krämer, Karl W; Decurtins, Silvio; Liu, Shi-Xia","Composition Space Analysis in the Development of Copper Molybdate Hybrids Decorated by a Bifunctional Pyrazolyl/1,2,4-Triazole Ligand.","Inorganic chemistry","2015","55","1","239","","10.1021/acs.inorgchem.5b02188","","","0.71073","MoKα","","0.0365","0.0319","","","0.0815","0.0832","","","","","","1.001","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4344854","8.5488","0.0007","11.1202","0.0009","12.2436","0.001","111.443","0.003","107.668","0.003","97.411","0.003","993.77","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H27 Cu2 N2 O9 -","- C13 H27 Cu2 N2 O9 -","- C26 H54 Cu4 N4 O18 -","2","1","","Fernandes, Tiago A.; Santos, Carla I. M.; André, Vânia; Kłak, Julia; Kirillova, Marina V.; Kirillov, Alexander M.","Copper(II) Coordination Polymers Self-Assembled from Aminoalcohols and Pyromellitic Acid: Highly Active Precatalysts for the Mild Water-Promoted Oxidation of Alkanes.","Inorganic chemistry","2015","55","1","125","","10.1021/acs.inorgchem.5b01983","","","0.71069","MoKα","","0.1674","0.0593","","","0.1008","0.13","","","","","","1.001","","","","has coordinates","175671","2020-10-21","18:00:00",""
"4344855","10.9067","0.0011","11.08","0.0012","11.1272","0.0012","83.799","0.004","85.737","0.004","65.227","0.004","1213.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 Cu N2 O7 -","- C23 H28 Cu N2 O7 -","- C46 H56 Cu2 N4 O14 -","2","1","","Fernandes, Tiago A.; Santos, Carla I. M.; André, Vânia; Kłak, Julia; Kirillova, Marina V.; Kirillov, Alexander M.","Copper(II) Coordination Polymers Self-Assembled from Aminoalcohols and Pyromellitic Acid: Highly Active Precatalysts for the Mild Water-Promoted Oxidation of Alkanes.","Inorganic chemistry","2015","55","1","125","","10.1021/acs.inorgchem.5b01983","","","0.71069","MoKα","","0.083","0.0439","","","0.0852","0.0973","","","","","","1.056","","","","has coordinates","175672","2020-10-21","18:00:00",""
"4344856","13.0515","0.0012","14.515","0.0014","12.6791","0.0012","90","","100.52","0.003","90","","2361.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 Cu2 N2 O10 -","- C17 H33 Cu2 N2 O10 -","- C68 H132 Cu8 N8 O40 -","4","1","","Fernandes, Tiago A.; Santos, Carla I. M.; André, Vânia; Kłak, Julia; Kirillova, Marina V.; Kirillov, Alexander M.","Copper(II) Coordination Polymers Self-Assembled from Aminoalcohols and Pyromellitic Acid: Highly Active Precatalysts for the Mild Water-Promoted Oxidation of Alkanes.","Inorganic chemistry","2015","55","1","125","","10.1021/acs.inorgchem.5b01983","","","0.71069","MoKα","","0.1595","0.0933","","","0.224","0.2662","","","","","","1.041","","","","has coordinates,has disorder","175673","2020-10-21","18:00:00",""
"4344857","10.1428","0.0004","20.7513","0.0007","19.0268","0.0007","90","","96.184","0.001","90","","3981.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H50 B N O S -","- C49 H50 B N O S -","- C196 H200 B4 N4 O4 S4 -","4","1","","Huang, Kexuan; Martin, Caleb D.","Peculiar Reactivity of Isothiocyanates with Pentaphenylborole.","Inorganic chemistry","2015","55","1","330","","10.1021/acs.inorgchem.5b02469","","","0.71073","MoKα","","0.0884","0.0471","","","0.0899","0.1028","","","","","","1.032","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344858","14.2991","0.0014","12.7396","0.0008","24.5379","0.0014","90","","90.621","0.002","90","","4469.7","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H39 B N2 O2 S2 -","- C50 H39 B N2 O2 S2 -","- C200 H156 B4 N8 O8 S8 -","4","1","","Huang, Kexuan; Martin, Caleb D.","Peculiar Reactivity of Isothiocyanates with Pentaphenylborole.","Inorganic chemistry","2015","55","1","330","","10.1021/acs.inorgchem.5b02469","","","0.71073","MoKα","","0.0864","0.0603","","","0.1362","0.149","","","","","","1.105","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344859","11.6797","0.0007","18.297","0.0011","15.5052","0.0009","90","","103.348","0.002","90","","3224","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 B N O S -","- C42 H32 B N O S -","- C168 H128 B4 N4 O4 S4 -","4","1","","Huang, Kexuan; Martin, Caleb D.","Peculiar Reactivity of Isothiocyanates with Pentaphenylborole.","Inorganic chemistry","2015","55","1","330","","10.1021/acs.inorgchem.5b02469","","","0.71073","MoKα","","0.0977","0.0513","","","0.0961","0.1116","","","","","","1.025","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344860","11.3069","0.0006","13.0277","0.0007","14.2497","0.0007","114.712","0.001","102.503","0.002","100.597","0.002","1770.23","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H29 B F3 N S -","- C42 H29 B F3 N S -","- C84 H58 B2 F6 N2 S2 -","2","1","","Huang, Kexuan; Martin, Caleb D.","Peculiar Reactivity of Isothiocyanates with Pentaphenylborole.","Inorganic chemistry","2015","55","1","330","","10.1021/acs.inorgchem.5b02469","","","0.71073","MoKα","","0.0633","0.0498","","","0.1274","0.1349","","","","","","1.034","","","","has coordinates,has disorder","301840","2025-08-20","23:45:00",""
"4344861","11.7579","0.0007","12.1395","0.0006","12.2158","0.0006","108.997","0.001","99.954","0.002","93.233","0.002","1611.91","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 B N S -","- C42 H32 B N S -","- C84 H64 B2 N2 S2 -","2","1","","Huang, Kexuan; Martin, Caleb D.","Peculiar Reactivity of Isothiocyanates with Pentaphenylborole.","Inorganic chemistry","2015","55","1","330","","10.1021/acs.inorgchem.5b02469","","","0.71073","MoKα","","0.0563","0.041","","","0.0951","0.1025","","","","","","1.028","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344862","12.1437","0.0009","17.6125","0.0011","19.737","0.0014","90","","99.766","0.002","90","","4160.2","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H45 B N2 S -","- C54 H45 B N2 S -","- C216 H180 B4 N8 S4 -","4","1","","Huang, Kexuan; Martin, Caleb D.","Peculiar Reactivity of Isothiocyanates with Pentaphenylborole.","Inorganic chemistry","2015","55","1","330","","10.1021/acs.inorgchem.5b02469","","","0.71073","MoKα","","0.1031","0.0626","","","0.1353","0.16","","","","","","1.092","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344863","17.5032","0.0015","10.1762","0.0008","20.352","0.0017","90","","114.393","0.003","90","","3301.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 B N O S -","- C42 H32 B N O S -","- C168 H128 B4 N4 O4 S4 -","4","1","","Huang, Kexuan; Martin, Caleb D.","Peculiar Reactivity of Isothiocyanates with Pentaphenylborole.","Inorganic chemistry","2015","55","1","330","","10.1021/acs.inorgchem.5b02469","","","0.71073","MoKα","","0.0805","0.0537","","","0.1266","0.1411","","","","","","1.04","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344864","11.3089","0.0009","11.4503","0.0009","11.6477","0.001","112.556","0.003","95.018","0.003","93.089","0.003","1381.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 B N S -","- C36 H28 B N S -","- C72 H56 B2 N2 S2 -","2","1","","Huang, Kexuan; Martin, Caleb D.","Peculiar Reactivity of Isothiocyanates with Pentaphenylborole.","Inorganic chemistry","2015","55","1","330","","10.1021/acs.inorgchem.5b02469","","","0.71073","MoKα","","0.106","0.0536","","","0.1121","0.131","","","","","","1.007","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344865","14.1946","0.0006","12.7101","0.0006","24.2388","0.001","90","","90.392","0.002","90","","4372.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H39 B N2 O S2 -","- C50 H39 B N2 O S2 -","- C200 H156 B4 N8 O4 S8 -","4","1","","Huang, Kexuan; Martin, Caleb D.","Peculiar Reactivity of Isothiocyanates with Pentaphenylborole.","Inorganic chemistry","2015","55","1","330","","10.1021/acs.inorgchem.5b02469","","","0.71073","MoKα","","0.0877","0.0606","","","0.1385","0.1485","","","","","","1.116","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344866","28.094","0.004","13.778","0.002","19.626","0.003","90","","114.714","0.007","90","","6901","1.8","296","2","296","2","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","","unk","","- C36 H47 Cu N2 O2 -","- C36 H47 Cu N2 O2 -","- C288 H376 Cu8 N16 O16 -","8","1","","Ghorai, Samir; Sarmah, Amrit; Roy, Ram Kinkar; Tiwari, Archana; Mukherjee, Chandan","Effect of Geometrical Distortion on the Electronic Structure: Synthesis and Characterization of Monoradical-Coordinated Mononuclear Cu(II) Complexes.","Inorganic chemistry","2016","55","4","1370","1380","10.1021/acs.inorgchem.5b01257","","x-ray","0.71073","MoKα","","0.0685","0.0393","","","0.0944","0.1043","","","","","","1.134","","","","has coordinates","177187","2020-10-21","18:00:00",""
"4344867","6.3536","0.0004","19.2147","0.0013","27.2831","0.0014","90","","90","","90","","3330.8","0.4","296","2","296","2","","","","","","","synthesise","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H45 Cu N2 O3 -","- C36 H45 Cu N2 O3 -","- C144 H180 Cu4 N8 O12 -","4","1","","Ghorai, Samir; Sarmah, Amrit; Roy, Ram Kinkar; Tiwari, Archana; Mukherjee, Chandan","Effect of Geometrical Distortion on the Electronic Structure: Synthesis and Characterization of Monoradical-Coordinated Mononuclear Cu(II) Complexes.","Inorganic chemistry","2016","55","4","1370","1380","10.1021/acs.inorgchem.5b01257","","x-ray","0.71073","MoKα","","0.085","0.0654","","","0.124","0.1338","","","","","","1.07","","","","has coordinates","177188","2020-10-21","18:00:00",""
"4344868","10.3588","0.0011","16.5312","0.0017","10.7954","0.0011","90","","112.87","0.001","90","","1703.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-tris(μ~2~-dimethyelphosphato)-neodymium","","- C6 H18 Nd O12 P3 -","- C6 H18 Nd O12 P3 -","- C24 H72 Nd4 O48 P12 -","4","1","","Lumetta, Gregg J.; Sinkov, Sergey I.; Krause, Jeanette A.; Sweet, Lucas E.","Neodymium(III) Complexes of Dialkylphosphoric and Dialkylphosphonic Acids Relevant to Liquid-Liquid Extraction Systems.","Inorganic chemistry","2016","55","4","1633","1641","10.1021/acs.inorgchem.5b02524","","","0.7749","synchrotron","","0.0408","0.0335","","","0.0836","0.0871","","","","","","1.029","","","","has coordinates","177189","2020-10-21","18:00:00",""
"4344869","7.29481","0.00006","7.29481","0.00006","7.29481","0.00006","90","","90","","90","","388.188","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ca Cu2.79 Fe4.21 O12 -","- Ca Cu2.79 Fe4.21 O12 -","- Ca2 Cu5.58 Fe8.42 O24 -","2","0.0416667","","Yamada, Ikuya; Murakami, Makoto; Hayashi, Naoaki; Mori, Shigeo","Inverse Charge Transfer in the Quadruple Perovskite CaCu3Fe4O12.","Inorganic chemistry","2016","55","4","1715","1719","10.1021/acs.inorgchem.5b02623","powder diffraction","","0.41981","","","0.01541","","","","","","0.01542","0.02193","0.9247","","","","","","","has coordinates","177191","2020-10-21","18:00:00",""
"4344870","7.26256","0.00007","7.26256","0.00007","7.26256","0.00007","90","","90","","90","","383.062","0.006","100","","100","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Ca Cu2.79 Fe4.21 O12 -","- Ca Cu2.79 Fe4.21 O12 -","- Ca2 Cu5.58 Fe8.42 O24 -","2","0.0833333","","Yamada, Ikuya; Murakami, Makoto; Hayashi, Naoaki; Mori, Shigeo","Inverse Charge Transfer in the Quadruple Perovskite CaCu3Fe4O12.","Inorganic chemistry","2016","55","4","1715","1719","10.1021/acs.inorgchem.5b02623","powder diffraction","","0.41981","","","0.01214","","","","","","0.01214","0.01661","0.9513","","","","","","","has coordinates","177191","2020-10-21","18:00:00",""
"4344871","11.206","0.0005","11.6166","0.0005","37.2209","0.0009","90","","90","","90","","4845.3","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H39 Ag N3 O6 P -","- C20 H39 Ag N3 O6 P -","- C160 H312 Ag8 N24 O48 P8 -","8","1","","Jaros, Sabina W.; Guedes da Silva, M Fátima C; Król, Jarosław; Conceição Oliveira, M; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Bioactive Silver-Organic Networks Assembled from 1,3,5-Triaza-7-phosphaadamantane and Flexible Cyclohexanecarboxylate Blocks.","Inorganic chemistry","2016","55","4","1486","1496","10.1021/acs.inorgchem.5b02235","","","0.71073","MoKα","","0.1232","0.0912","","","0.1801","0.1949","","","","","","1.2","","","","has coordinates","177192","2020-10-21","18:00:00",""
"4344872","6.9853","0.0009","20.315","0.003","13.5218","0.0019","90","","96.782","0.005","90","","1905.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C11 H17 Ag N3 O4 P -","- C11 H17 Ag N3 O4 P -","- C44 H68 Ag4 N12 O16 P4 -","4","1","","Jaros, Sabina W.; Guedes da Silva, M Fátima C; Król, Jarosław; Conceição Oliveira, M; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Bioactive Silver-Organic Networks Assembled from 1,3,5-Triaza-7-phosphaadamantane and Flexible Cyclohexanecarboxylate Blocks.","Inorganic chemistry","2016","55","4","1486","1496","10.1021/acs.inorgchem.5b02235","","","0.71069","MoKα","","0.064","0.0617","","","0.1379","0.1387","","","","","","1.29","","","","has coordinates","177193","2020-10-21","18:00:00",""
"4344873","20.9473","0.0008","13.3532","0.0004","11.1554","0.0004","90","","90","","90","","3120.32","0.19","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10 H17 Ag N3 O2 P -","- C10 H17 Ag N3 O2 P -","- C80 H136 Ag8 N24 O16 P8 -","8","1","","Jaros, Sabina W.; Guedes da Silva, M Fátima C; Król, Jarosław; Conceição Oliveira, M; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Bioactive Silver-Organic Networks Assembled from 1,3,5-Triaza-7-phosphaadamantane and Flexible Cyclohexanecarboxylate Blocks.","Inorganic chemistry","2016","55","4","1486","1496","10.1021/acs.inorgchem.5b02235","","","0.71073","MoKα","","0.0576","0.052","","","0.1241","0.126","","","","","","1.195","","","","has coordinates","177194","2020-10-21","18:00:00",""
"4344874","30.262","0.003","13.6023","0.0012","32.983","0.003","90","","116.883","0.011","90","","12110","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H74 Ir2 N6 O7 -","- C60 H74 Ir2 N6 O7 -","- C480 H592 Ir16 N48 O56 -","8","1","","Yang, Xiaolong; Xu, Xianbin; Dang, Jing-Shuang; Zhou, Guijiang; Ho, Cheuk-Lam; Wong, Wai-Yeung","From Mononuclear to Dinuclear Iridium(III) Complex: Effective Tuning of the Optoelectronic Characteristics for Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","4","1720","1727","10.1021/acs.inorgchem.5b02625","","","0.71073","MoKα","","0.1253","0.0588","","","0.133","0.1597","","","","","","1.058","","","","has coordinates","177195","2020-10-21","18:00:00",""
"4344875","18.679","0.01","22.856","0.012","12.905","0.007","90","","90","","90","","5509","5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C52 H57 Ir2 N6 O5 -","- C52 H57 Ir2 N6 O5 -","- C208 H228 Ir8 N24 O20 -","4","0.5","","Yang, Xiaolong; Xu, Xianbin; Dang, Jing-Shuang; Zhou, Guijiang; Ho, Cheuk-Lam; Wong, Wai-Yeung","From Mononuclear to Dinuclear Iridium(III) Complex: Effective Tuning of the Optoelectronic Characteristics for Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","4","1720","1727","10.1021/acs.inorgchem.5b02625","","","0.71073","MoKα","","0.1959","0.13","","","0.3039","0.3343","","","","","","1.127","","","","has coordinates","177196","2020-10-21","18:00:00",""
"4344879","22.376","0.008","22.376","0.008","22.376","0.008","90","","90","","90","","11203","7","173","2","173","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Co2.5 H68 N7 O59 W11 -","- Co2.4996 N7 O52 W11.0004 -","- Co19.9968 N56 O416 W88.0032 -","8","0.0416667","","Glass, Elliot N.; Fielden, John; Huang, Zhuangqun; Xiang, Xu; Musaev, Djamaladdin G.; Lian, Tianquan; Hill, Craig L.","Transition Metal Substitution Effects on Metal-to-Polyoxometalate Charge Transfer.","Inorganic chemistry","2016","55","9","4308","4319","10.1021/acs.inorgchem.6b00060","","","0.71073","MoKα","","0.025","0.0231","","","0.0605","0.0616","","","","","","1.217","","","","has coordinates","182492","2020-10-21","18:00:00",""
"4344880","9.4617","0.0006","12.8137","0.0008","12.9974","0.0008","82.901","0.005","85.705","0.005","76.749","0.005","1520.31","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H38 N2 O16 Zn2 -","- C23 H36 N2 O16 Zn2 -","- C46 H72 N4 O32 Zn4 -","2","1","","Gupta, Abhishek Kumar; Dhir, Abhimanew; Pradeep, Chullikkattil P.","Multifunctional Zn(II) Complexes: Photophysical Properties and Catalytic Transesterification toward Biodiesel Synthesis.","Inorganic chemistry","2016","55","15","7492","7500","10.1021/acs.inorgchem.6b00804","","","0.71073","MoKα","","0.0498","0.0395","","","0.0952","0.1025","","","","","","1.05","","","","has coordinates","184927","2020-10-21","18:00:00",""
"4344881","16.0116","0.0007","29.3742","0.001","14.5726","0.0006","90","","105.562","0.005","90","","6602.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 N2 O18 Zn2 -","- C25 H41 N2 O18 Zn2 -","- C200 H328 N16 O144 Zn16 -","8","2","","Gupta, Abhishek Kumar; Dhir, Abhimanew; Pradeep, Chullikkattil P.","Multifunctional Zn(II) Complexes: Photophysical Properties and Catalytic Transesterification toward Biodiesel Synthesis.","Inorganic chemistry","2016","55","15","7492","7500","10.1021/acs.inorgchem.6b00804","","","0.71073","MoKα","","0.1296","0.0737","","","0.164","0.2082","","","","","","1.066","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4344882","9.5367","0.0008","12.0547","0.001","13.1566","0.0011","97.977","0.007","94.89","0.007","112.142","0.008","1371.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H33 Br N2 O14 Zn2 -","- C20 H30 Br N2 O12 Zn2 -","- C40 H60 Br2 N4 O24 Zn4 -","2","1","","Gupta, Abhishek Kumar; Dhir, Abhimanew; Pradeep, Chullikkattil P.","Multifunctional Zn(II) Complexes: Photophysical Properties and Catalytic Transesterification toward Biodiesel Synthesis.","Inorganic chemistry","2016","55","15","7492","7500","10.1021/acs.inorgchem.6b00804","","","0.71073","MoKα","","0.0838","0.0472","","","0.1205","0.1548","","","","","","0.996","","","","has coordinates","184927","2020-10-21","18:00:00",""
"4344883","5.1604","0.0011","9.1488","0.0018","17.745","0.003","90","","90","","90","","837.8","0.3","293","","293","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ca Pd5.219 -","- Ca Pd5.219 -","- Ca8 Pd41.752 -","8","0.5","","Kilduff, Brandon J.; Fredrickson, Daniel C.","Chemical Pressure-Driven Incommensurability in CaPd5: Clues to High-Pressure Chemistry Offered by Complex Intermetallics.","Inorganic chemistry","2016","55","13","6781","6793","10.1021/acs.inorgchem.6b01124","","x-ray","0.71073","MoKα","","0.0832","0.0294","","","0.0721","0.095","","","","1.71","1.71","1.28","","","","has coordinates","184820","2020-10-21","18:00:00",""
"4344884","11.4606","0.0012","13.0568","0.0012","14.1283","0.0015","93.342","0.004","96.771","0.004","101.354","0.004","2051.1","0.4","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H62 N2 Ti -","- C46 H62 N2 Ti -","- C92 H124 N4 Ti2 -","2","1","","Clark, Kensha Marie","Synthesis and Reactivity of Low-Coordinate Titanium Synthons Supported by a Reduced Redox-Active Ligand.","Inorganic chemistry","2016","55","13","6443","6448","10.1021/acs.inorgchem.6b00404","","x-ray","0.71073","MoKα","","0.0554","0.0398","","","0.0987","0.1085","","","","","","1.015","","","","has coordinates,has disorder","184821","2020-10-21","18:00:00",""
"4344885","10.339","0.004","16.092","0.005","16.733","0.006","90","","105.212","0.007","90","","2686.4","1.6","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H47 Al2 N O -","- C25 H47 Al2 N O -","- C100 H188 Al8 N4 O4 -","4","1","","Li, Wenyi; Ouyang, Hao; Chen, Lijuan; Yuan, Dan; Zhang, Yong; Yao, Yingming","A Comparative Study on Dinuclear and Mononuclear Aluminum Methyl Complexes Bearing Piperidyl-Phenolato Ligands in ROP of Epoxides.","Inorganic chemistry","2016","55","13","6520","6524","10.1021/acs.inorgchem.6b00639","","","0.71075","MoKα","","0.1036","0.0694","","","0.1709","0.2115","","","","","","1.055","","","","has coordinates","184822","2020-10-21","18:00:00",""
"4344886","9.319","0.007","21.167","0.016","12.486","0.009","90","","91.951","0.014","90","","2462","3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H41 Al2 N O -","- C22 H41 Al2 N O -","- C88 H164 Al8 N4 O4 -","4","1","","Li, Wenyi; Ouyang, Hao; Chen, Lijuan; Yuan, Dan; Zhang, Yong; Yao, Yingming","A Comparative Study on Dinuclear and Mononuclear Aluminum Methyl Complexes Bearing Piperidyl-Phenolato Ligands in ROP of Epoxides.","Inorganic chemistry","2016","55","13","6520","6524","10.1021/acs.inorgchem.6b00639","","","0.71075","MoKα","","0.0995","0.0594","","","0.1541","0.2026","","","","","","1.129","","","","has coordinates","184822","2020-10-21","18:00:00",""
"4344887","25.629","0.011","12.493","0.004","15.648","0.007","90","","117.311","0.008","90","","4452","3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H70 Al4 N2 O2 -","- C38 H70 Al4 N2 O2 -","- C152 H280 Al16 N8 O8 -","4","0.5","","Li, Wenyi; Ouyang, Hao; Chen, Lijuan; Yuan, Dan; Zhang, Yong; Yao, Yingming","A Comparative Study on Dinuclear and Mononuclear Aluminum Methyl Complexes Bearing Piperidyl-Phenolato Ligands in ROP of Epoxides.","Inorganic chemistry","2016","55","13","6520","6524","10.1021/acs.inorgchem.6b00639","","","0.71075","MoKα","","0.0885","0.0684","","","0.1756","0.196","","","","","","0.951","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344888","16.1487","","22.1042","","22.1404","","90","","108.769","","90","","7482.85","","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H91 N6 O23 V7 -","- C60 H65 N6 O23 V7 -","- C240 H260 N24 O92 V28 -","4","1","","Kodama, Shintaro; Taya, Nobuto; Inoue, Yuta; Ishii, Youichi","Synthesis and Interconversion of V4, V7, and V8 Oxide Clusters: Unexpected Formation of Neutral Heptanuclear Oxido(alkoxido)vanadium(V) Clusters [V7O17(OR)(4,4'-(t)Bubpy)3] (R = Et, MeOC2H4).","Inorganic chemistry","2016","55","13","6712","6718","10.1021/acs.inorgchem.6b00963","","","0.71075","MoKα","","0.1061","0.0831","","","0.2235","0.2428","","","","","","1.094","","","","has coordinates","184823","2020-10-21","18:00:00",""
"4344889","34.1668","0.001","34.1668","0.001","19.3425","0.0009","90","","90","","90","","22579.9","1.4","293","2","293","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C46 H28 Cu3 N4 O13 -","- C46 H27 Cu3 N4 O12.999 -","- C368 H216 Cu24 N32 O103.992 -","8","0.5","","Fan, Weidong; Lin, Huan; Yuan, Xue; Dai, Fangna; Xiao, Zhenyu; Zhang, Liangliang; Luo, Liwen; Wang, Rongming","Expanded Porous Metal-Organic Frameworks by SCSC: Organic Building Units Modifying and Enhanced Gas-Adsorption Properties.","Inorganic chemistry","2016","55","13","6420","6425","10.1021/acs.inorgchem.6b00278","","","0.71","MoKα","","0.193","0.0828","","","0.1866","0.2285","","","","","","0.636","","","","has coordinates,has disorder","184824","2020-10-21","18:00:00",""
"4344890","12.1211","0.0007","8.561","0.0005","12.405","0.0008","90","","111.635","0.007","90","","1196.57","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N O -","- C13 H17 N O -","- C52 H68 N4 O4 -","4","1","","Dwivedi, Ambikesh D.; Binnani, Chinky; Tyagi, Deepika; Rawat, Kuber S.; Li, Pei-Zhou; Zhao, Yanli; Mobin, Shaikh M.; Pathak, Biswarup; Singh, Sanjay K.","Troponate/Aminotroponate Ruthenium-Arene Complexes: Synthesis, Structure, and Ligand-Tuned Mechanistic Pathway for Direct C-H Bond Arylation with Aryl Chlorides in Water.","Inorganic chemistry","2016","55","13","6739","6749","10.1021/acs.inorgchem.6b01028","","","1.54184","CuKα","","0.0607","0.0517","","","0.1499","0.1626","","","","","","1.043","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344891","14.7074","0.0004","16.6899","0.0003","7.7339","0.0002","90","","102.751","0.002","90","","1851.58","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl N O Ru -","- C20 H26 Cl N O Ru -","- C80 H104 Cl4 N4 O4 Ru4 -","4","1","","Dwivedi, Ambikesh D.; Binnani, Chinky; Tyagi, Deepika; Rawat, Kuber S.; Li, Pei-Zhou; Zhao, Yanli; Mobin, Shaikh M.; Pathak, Biswarup; Singh, Sanjay K.","Troponate/Aminotroponate Ruthenium-Arene Complexes: Synthesis, Structure, and Ligand-Tuned Mechanistic Pathway for Direct C-H Bond Arylation with Aryl Chlorides in Water.","Inorganic chemistry","2016","55","13","6739","6749","10.1021/acs.inorgchem.6b01028","","","0.71073","MoKα","","0.035","0.0297","","","0.0728","0.0782","","","","","","1.1","","","","has coordinates","184826","2020-10-21","18:00:00",""
"4344892","10.6918","0.0005","13.3978","0.0006","11.4591","0.0005","90","","99.654","0.004","90","","1618.23","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Cl O2 Ru -","- C17 H19 Cl O2 Ru -","- C68 H76 Cl4 O8 Ru4 -","4","1","","Dwivedi, Ambikesh D.; Binnani, Chinky; Tyagi, Deepika; Rawat, Kuber S.; Li, Pei-Zhou; Zhao, Yanli; Mobin, Shaikh M.; Pathak, Biswarup; Singh, Sanjay K.","Troponate/Aminotroponate Ruthenium-Arene Complexes: Synthesis, Structure, and Ligand-Tuned Mechanistic Pathway for Direct C-H Bond Arylation with Aryl Chlorides in Water.","Inorganic chemistry","2016","55","13","6739","6749","10.1021/acs.inorgchem.6b01028","","","0.71073","MoKα","","0.0479","0.0318","","","0.0665","0.0757","","","","","","1.053","","","","has coordinates","184827","2020-10-21","18:00:00",""
"4344893","10.893","0.005","6.618","0.003","17.337","0.008","90","","106.885","0.008","90","","1195.9","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Mn3 O14 -","- C22 H20 Mn3 O14 -","- C44 H40 Mn6 O28 -","2","0.5","","Wu, Yun-Long; Guo, Fu-Sheng; Yang, Guo-Ping; Wang, Lu; Jin, Jun-Cheng; Zhou, Xiang; Zhang, Wen-Yan; Wang, Yao-Yu","Two Isostructural Metal-Organic Frameworks Directed by the Different Center Metal Ions, Exhibiting the Ferrimagnetic Behavior and Slow Magnetic Relaxation.","Inorganic chemistry","2016","55","13","6592","6596","10.1021/acs.inorgchem.6b00757","","","0.71073","MoKα","","0.0774","0.0499","","","0.1428","0.1833","","","","","","1.002","","","","has coordinates","184828","2020-10-21","18:00:00",""
"4344894","10.911","0.004","6.413","0.003","17.045","0.007","90","","105.867","0.006","90","","1147.2","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Co3 O14 -","- C22 H20 Co3 O14 -","- C44 H40 Co6 O28 -","2","0.5","","Wu, Yun-Long; Guo, Fu-Sheng; Yang, Guo-Ping; Wang, Lu; Jin, Jun-Cheng; Zhou, Xiang; Zhang, Wen-Yan; Wang, Yao-Yu","Two Isostructural Metal-Organic Frameworks Directed by the Different Center Metal Ions, Exhibiting the Ferrimagnetic Behavior and Slow Magnetic Relaxation.","Inorganic chemistry","2016","55","13","6592","6596","10.1021/acs.inorgchem.6b00757","","","0.71073","MoKα","","0.0996","0.0551","","","0.1647","0.252","","","","","","1.04","","","","has coordinates","184828","2020-10-21","18:00:00",""
"4344895","11.5081","0.0007","11.4273","0.0004","13.2728","0.0008","90","","91.889","0.003","90","","1744.51","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N3 O9 U -","- C13 H17 N3 O9 U -","- C52 H68 N12 O36 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Modulation of the Structure and Properties of Uranyl Ion Coordination Polymers Derived from 1,3,5-Benzenetriacetate by Incorporation of Ag(I) or Pb(II).","Inorganic chemistry","2016","55","13","6799","6816","10.1021/acs.inorgchem.6b01168","","","0.71073","MoKα","","0.034","0.0261","","","0.0638","0.0657","","","","","","1.069","","","","has coordinates","184830","2020-10-21","18:00:00",""
"4344896","8.986","0.0003","17.7983","0.0004","21.3159","0.0007","90","","90","","90","","3409.17","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N O8 U -","- C14 H17 N O8 U -","- C112 H136 N8 O64 U8 -","8","1","","Thuéry, Pierre; Harrowfield, Jack","Modulation of the Structure and Properties of Uranyl Ion Coordination Polymers Derived from 1,3,5-Benzenetriacetate by Incorporation of Ag(I) or Pb(II).","Inorganic chemistry","2016","55","13","6799","6816","10.1021/acs.inorgchem.6b01168","","","0.71073","MoKα","","0.0217","0.0196","","","0.0487","0.0496","","","","","","1.13","","","","has coordinates","184830","2020-10-21","18:00:00",""
"4344897","19.0486","0.0005","17.4121","0.0006","19.6753","0.0005","90","","114.184","0.002","90","","5953.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H50 N6 O22 U3 -","- C60 H50 N6 O22 U3 -","- C240 H200 N24 O88 U12 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","Modulation of the Structure and Properties of Uranyl Ion Coordination Polymers Derived from 1,3,5-Benzenetriacetate by Incorporation of Ag(I) or Pb(II).","Inorganic chemistry","2016","55","13","6799","6816","10.1021/acs.inorgchem.6b01168","","","0.71073","MoKα","","0.0394","0.0276","","","0.0638","0.0669","","","","","","1.031","","","","has coordinates","184830","2020-10-21","18:00:00",""
"4344898","13.9272","0.0007","17.5666","0.0008","17.9322","0.0008","99.49","0.003","91.664","0.003","100.672","0.003","4244.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H81 N7 O22 U3 -","- C77 H80 N7 O22 U3 -","- C154 H160 N14 O44 U6 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Modulation of the Structure and Properties of Uranyl Ion Coordination Polymers Derived from 1,3,5-Benzenetriacetate by Incorporation of Ag(I) or Pb(II).","Inorganic chemistry","2016","55","13","6799","6816","10.1021/acs.inorgchem.6b01168","","","0.71073","MoKα","","0.0735","0.0578","","","0.1434","0.1496","","","","","","1.1","","","","has coordinates","184830","2020-10-21","18:00:00",""
"4344899","18.6927","0.0008","8.0733","0.0004","19.9326","0.0009","90","","115.851","0.003","90","","2707.1","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Ag O8 U -","- C12 H9 Ag O8 U -","- C96 H72 Ag8 O64 U8 -","8","1","","Thuéry, Pierre; Harrowfield, Jack","Modulation of the Structure and Properties of Uranyl Ion Coordination Polymers Derived from 1,3,5-Benzenetriacetate by Incorporation of Ag(I) or Pb(II).","Inorganic chemistry","2016","55","13","6799","6816","10.1021/acs.inorgchem.6b01168","","","0.71073","MoKα","","0.0339","0.026","","","0.062","0.0641","","","","","","1.037","","","","has coordinates","184830","2020-10-21","18:00:00",""
"4344900","22.049","0.0011","9.3829","0.0003","11.5465","0.0005","90","","90","","90","","2388.78","0.18","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H17 N3 O11 Pb U -","- C22 H17 N3 O11 Pb U -","- C88 H68 N12 O44 Pb4 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Modulation of the Structure and Properties of Uranyl Ion Coordination Polymers Derived from 1,3,5-Benzenetriacetate by Incorporation of Ag(I) or Pb(II).","Inorganic chemistry","2016","55","13","6799","6816","10.1021/acs.inorgchem.6b01168","","","0.71073","MoKα","","0.0365","0.029","","","0.062","0.0639","","","","","","1.024","","","","has coordinates","184830","2020-10-21","18:00:00",""
"4344901","10.552","0.003","18.441","0.004","11.967","0.003","90","","115.735","0.003","90","","2097.7","0.9","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 O -","- C24 H38 O -","- C96 H152 O4 -","4","1","","Kanazawa, Shoya; Ohira, Taishi; Goda, Shun; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Ishida, Yutaka; Kawaguchi, Hiroyuki; Matsuo, Tsukasa","Synthesis and Structural Characterization of Lithium and Titanium Complexes Bearing a Bulky Aryloxide Ligand Based on a Rigid Fused-Ring s-Hydrindacene Skeleton.","Inorganic chemistry","2016","55","13","6643","6652","10.1021/acs.inorgchem.6b00762","","","0.71075","MoKα","","0.0774","0.0608","","","0.1171","0.1256","","","","","","1.113","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344902","22.037","0.017","12.339","0.009","23.767","0.018","90","","90","","90","","6463","8","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H53 Cl2 O3 Ti -","- C32 H53 Cl2 O3 Ti -","- C256 H424 Cl16 O24 Ti8 -","8","2","","Kanazawa, Shoya; Ohira, Taishi; Goda, Shun; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Ishida, Yutaka; Kawaguchi, Hiroyuki; Matsuo, Tsukasa","Synthesis and Structural Characterization of Lithium and Titanium Complexes Bearing a Bulky Aryloxide Ligand Based on a Rigid Fused-Ring s-Hydrindacene Skeleton.","Inorganic chemistry","2016","55","13","6643","6652","10.1021/acs.inorgchem.6b00762","","","0.71073","MoKα","","0.1082","0.0778","","","0.1865","0.2134","","","","","","1.047","","","","has coordinates,has disorder","184832","2020-10-21","18:00:00",""
"4344903","19.295","0.002","7.9904","0.001","31.829","0.004","90","","92.287","0.003","90","","4903.3","1","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H46 O -","- C28 H46 O -","- C224 H368 O8 -","8","1","","Kanazawa, Shoya; Ohira, Taishi; Goda, Shun; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Ishida, Yutaka; Kawaguchi, Hiroyuki; Matsuo, Tsukasa","Synthesis and Structural Characterization of Lithium and Titanium Complexes Bearing a Bulky Aryloxide Ligand Based on a Rigid Fused-Ring s-Hydrindacene Skeleton.","Inorganic chemistry","2016","55","13","6643","6652","10.1021/acs.inorgchem.6b00762","","","0.71073","MoKα","","0.0871","0.0594","","","0.1327","0.1495","","","","","","1.055","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344904","10.167","0.006","11.431","0.008","12.675","0.009","85.36","0.04","80.92","0.04","68.61","0.03","1354","1.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H94 Li2 O4 -","- C56 H94 Li2 O4 -","- C56 H94 Li2 O4 -","1","0.5","","Kanazawa, Shoya; Ohira, Taishi; Goda, Shun; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Ishida, Yutaka; Kawaguchi, Hiroyuki; Matsuo, Tsukasa","Synthesis and Structural Characterization of Lithium and Titanium Complexes Bearing a Bulky Aryloxide Ligand Based on a Rigid Fused-Ring s-Hydrindacene Skeleton.","Inorganic chemistry","2016","55","13","6643","6652","10.1021/acs.inorgchem.6b00762","","","0.71075","MoKα","","0.1493","0.0988","","","0.1781","0.2032","","","","","","1.147","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4344905","10.5148","0.0012","14.6106","0.0018","29.947","0.004","90","","91.715","0.0017","90","","4598.6","1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H74 Cl2 O2 Ti -","- C48 H74 Cl2 O2 Ti -","- C192 H296 Cl8 O8 Ti4 -","4","1","","Kanazawa, Shoya; Ohira, Taishi; Goda, Shun; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Ishida, Yutaka; Kawaguchi, Hiroyuki; Matsuo, Tsukasa","Synthesis and Structural Characterization of Lithium and Titanium Complexes Bearing a Bulky Aryloxide Ligand Based on a Rigid Fused-Ring s-Hydrindacene Skeleton.","Inorganic chemistry","2016","55","13","6643","6652","10.1021/acs.inorgchem.6b00762","","","0.71075","MoKα","","0.0668","0.0586","","","0.1199","0.1241","","","","","","1.145","","","","has coordinates","184835","2020-10-21","18:00:00",""
"4344906","15.451","0.002","16.269","0.002","24.655","0.003","90.592","0.003","90.993","0.003","112.104","0.004","5740.3","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H96 Cl O4 Ti -","- C62 H96 Cl O4 Ti -","- C248 H384 Cl4 O16 Ti4 -","4","2","","Kanazawa, Shoya; Ohira, Taishi; Goda, Shun; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Ishida, Yutaka; Kawaguchi, Hiroyuki; Matsuo, Tsukasa","Synthesis and Structural Characterization of Lithium and Titanium Complexes Bearing a Bulky Aryloxide Ligand Based on a Rigid Fused-Ring s-Hydrindacene Skeleton.","Inorganic chemistry","2016","55","13","6643","6652","10.1021/acs.inorgchem.6b00762","","","0.71073","MoKα","","0.1141","0.0852","","","0.2784","0.2975","","","","","","1.078","","","","has coordinates,has disorder","301840","2025-08-20","23:45:00",""
"4344907","38.929","0.01","12.248","0.003","33.721","0.008","90","","108.362","0.004","90","","15260","7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H135 Li3 O3 -","- C84 H135 Li3 O3 -","- C672 H1080 Li24 O24 -","8","1","","Kanazawa, Shoya; Ohira, Taishi; Goda, Shun; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Ishida, Yutaka; Kawaguchi, Hiroyuki; Matsuo, Tsukasa","Synthesis and Structural Characterization of Lithium and Titanium Complexes Bearing a Bulky Aryloxide Ligand Based on a Rigid Fused-Ring s-Hydrindacene Skeleton.","Inorganic chemistry","2016","55","13","6643","6652","10.1021/acs.inorgchem.6b00762","","","0.71075","MoKα","","0.1895","0.1643","","","0.3058","0.3236","","","","","","1.388","","","","has coordinates,has disorder","184837","2020-10-21","18:00:00",""
"4344908","10.802","0.002","24.288","0.005","25.511","0.005","90","","98.01","0.003","90","","6628","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H111 Cl O3 Ti -","- C72 H111 Cl O3 Ti -","- C288 H444 Cl4 O12 Ti4 -","4","1","","Kanazawa, Shoya; Ohira, Taishi; Goda, Shun; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Ishida, Yutaka; Kawaguchi, Hiroyuki; Matsuo, Tsukasa","Synthesis and Structural Characterization of Lithium and Titanium Complexes Bearing a Bulky Aryloxide Ligand Based on a Rigid Fused-Ring s-Hydrindacene Skeleton.","Inorganic chemistry","2016","55","13","6643","6652","10.1021/acs.inorgchem.6b00762","","","0.71075","MoKα","","0.1472","0.119","","","0.2233","0.2377","","","","","","1.249","","","","has coordinates,has disorder","184838","2020-10-21","18:00:00",""
"4344920","10.819","0.005","24.514","0.005","16.607","0.005","90","","91.681","0.005","90","","4403","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 Cd2 N3 O10 -","- C35 H27 Cd2 N3 O10 -","- C140 H108 Cd8 N12 O40 -","4","1","","Pal, Tapan K.; Chatterjee, Nabanita; Bharadwaj, Parimal K.","Linker-Induced Structural Diversity and Photophysical Property of MOFs for Selective and Sensitive Detection of Nitroaromatics","Inorganic Chemistry","2016","55","4","1741","","10.1021/acs.inorgchem.5b02645","","","0.71073","MoKα","","0.0648","0.0466","","","0.1108","0.1208","","","","","","0.99","","","","has coordinates","189225","2020-10-21","18:00:00",""
"4344921","12.2","0.02","26.58","0.05","18.62","0.03","90","","104.82","0.02","90","","5837","17","100","2","100","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C74 H38 Cd4 N9 O18 -","- C74 H38 Cd4 N9 O18 -","- C148 H76 Cd8 N18 O36 -","2","0.5","","Pal, Tapan K.; Chatterjee, Nabanita; Bharadwaj, Parimal K.","Linker-Induced Structural Diversity and Photophysical Property of MOFs for Selective and Sensitive Detection of Nitroaromatics","Inorganic Chemistry","2016","55","4","1741","","10.1021/acs.inorgchem.5b02645","","","0.71073","MoKα","","0.1621","0.1198","","","0.2941","0.3155","","","","","","0.838","","","","has coordinates","189225","2020-10-21","18:00:00",""
"4344923","17.9938","0.0002","17.9938","0.0002","22.1829","0.0005","90","","90","","90","","7182.3","0.2","100","2","100","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C36 H24 Cu7 I2 N8 O20 -","- C36 H24 Cu7 I2 N8 O20 -","- C144 H96 Cu28 I8 N32 O80 -","4","0.125","","He, Hongming; Sun, Fuxing; Ma, Shengqian; Zhu, Guangshan","Reticular Synthesis of a Series of HKUST-like MOFs with Carbon Dioxide Capture and Separation","Inorganic Chemistry","2016","55","17","9071","9076","10.1021/acs.inorgchem.6b01592","","","1.54178","CuKα","","0.0478","0.0468","","","0.147","0.148","","","","","","1.045","","","","has coordinates","275238","2022-05-09","00:28:04",""
"4344924","19.1501","0.0017","19.1501","0.0017","11.119","0.0012","90","","90","","90","","4077.6","0.7","","","","","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C7 H3 Cu2 I N O5 -","- C7 H3 Cu2 I N O5 -","- C56 H24 Cu16 I8 N8 O40 -","8","0.5","","He, Hongming; Sun, Fuxing; Ma, Shengqian; Zhu, Guangshan","Reticular Synthesis of a Series of HKUST-like MOFs with Carbon Dioxide Capture and Separation","Inorganic Chemistry","2016","55","17","9071","9076","10.1021/acs.inorgchem.6b01592","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","275238","2022-05-09","00:28:04",""
"4344925","21.2731","0.0005","25.7339","0.0006","27.1818","0.0007","90","","90","","90","","14880.4","0.6","100","2","100","2","","","","","","","","6","F m m m","-F 2 2","69","","","","- C28 H12 Cu5 I2 N4 O18 -","- C28 H12 Cu5 I2 N4 O18 -","- C224 H96 Cu40 I16 N32 O144 -","8","0.25","","He, Hongming; Sun, Fuxing; Ma, Shengqian; Zhu, Guangshan","Reticular Synthesis of a Series of HKUST-like MOFs with Carbon Dioxide Capture and Separation","Inorganic Chemistry","2016","55","17","9071","9076","10.1021/acs.inorgchem.6b01592","","","1.54178","CuKα","","0.1156","0.1099","","","0.2954","0.3031","","","","","","1.072","","","","has coordinates","275238","2022-05-09","00:28:04",""
"4346546","13.8768","0.0005","14.4157","0.0005","18.7392","0.0007","90","","90","","90","","3748.7","0.2","100","2","99.99","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C39 H43 B F4 Fe Ni O2 P2 S2 -","- C39 H43 B F4 Fe Ni O2 P2 S2 -","- C156 H172 B4 F16 Fe4 Ni4 O8 P8 S8 -","4","1","","Chambers, Geoffrey M.; Huynh, Mioy T.; Li, Yulong; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B.; Reijerse, Edward; Lubitz, Wolfgang","Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site.","Inorganic chemistry","2016","55","2","419","431","10.1021/acs.inorgchem.5b01662","","","0.71073","MoKα","","0.0579","0.0448","","","0.0972","0.1041","","","","","","1.052","","","","has coordinates","231833","2020-10-21","18:00:00",""
"4346547","8.6228","0.0003","23.8083","0.0009","9.7696","0.0004","90","","112.438","0.0014","90","","1853.8","0.12","183","2","183.15","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C42 H43 Fe Ni O P2 S2 -","- C42 H43 Fe Ni O P2 S2 -","- C84 H86 Fe2 Ni2 O2 P4 S4 -","2","0.5","","Chambers, Geoffrey M.; Huynh, Mioy T.; Li, Yulong; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B.; Reijerse, Edward; Lubitz, Wolfgang","Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site.","Inorganic chemistry","2016","55","2","419","431","10.1021/acs.inorgchem.5b01662","","","0.71073","MoKα","","0.0386","0.0288","","","0.0676","0.0719","","","","","","1.037","","","","has coordinates,has disorder","231833","2020-10-21","18:00:00",""
"4346548","25.8149","0.0017","11.352","0.0006","15.4306","0.0011","90","","122.06","0.002","90","","3832.3","0.4","100","2","100","","","","","","","","","10","C 1 c 1","C -2yc","9","","","","- C37 H39 B Cl2 F4 Fe Ni O P2 S2 -","- C37 H39 B Cl2 F4 Fe Ni O P2 S2 -","- C148 H156 B4 Cl8 F16 Fe4 Ni4 O4 P8 S8 -","4","1","","Chambers, Geoffrey M.; Huynh, Mioy T.; Li, Yulong; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B.; Reijerse, Edward; Lubitz, Wolfgang","Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site.","Inorganic chemistry","2016","55","2","419","431","10.1021/acs.inorgchem.5b01662","","","0.71073","MoKα","","0.0351","0.0285","","","0.0652","0.068","","","","","","1.021","","","","has coordinates","231833","2020-10-21","18:00:00",""
"4346549","10.4724","0.0018","30.158","0.005","12.995","0.002","90","","106.298","0.0019","90","","3939.2","1.1","179","2","179.15","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 B F4 Fe Ni O P2 S2 -","- C37 H39 B F4 Fe Ni O P2 S2 -","- C148 H156 B4 F16 Fe4 Ni4 O4 P8 S8 -","4","1","","Chambers, Geoffrey M.; Huynh, Mioy T.; Li, Yulong; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B.; Reijerse, Edward; Lubitz, Wolfgang","Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site.","Inorganic chemistry","2016","55","2","419","431","10.1021/acs.inorgchem.5b01662","","","0.71073","MoKα","","0.0485","0.0339","","","0.0846","0.0885","","","","","","0.942","","","","has coordinates,has disorder","231833","2020-10-21","18:00:00",""
"4346550","35.637","0.009","11.475","0.003","22.627","0.005","90","","97.862","0.012","90","","9166","4","296","2","296.15","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C46 H39 B Cl2 F4 Fe Ni O2 P2 S2 -","- C46 H39 B Cl2 F4 Fe Ni O2 P2 S2 -","- C368 H312 B8 Cl16 F32 Fe8 Ni8 O16 P16 S16 -","8","1","","Chambers, Geoffrey M.; Huynh, Mioy T.; Li, Yulong; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B.; Reijerse, Edward; Lubitz, Wolfgang","Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site.","Inorganic chemistry","2016","55","2","419","431","10.1021/acs.inorgchem.5b01662","","","0.71073","MoKα","","0.0671","0.0557","","","0.1606","0.174","","","","","","1.06","","","","has coordinates,has disorder","231833","2020-10-21","18:00:00",""
"4346551","11.0127","0.0007","21.3183","0.0014","18.3474","0.0012","90","","99.419","0.003","90","","4249.4","0.5","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H37 Fe Ni O P2 S2 -","- C44 H37 Fe Ni O P2 S2 -","- C176 H148 Fe4 Ni4 O4 P8 S8 -","4","1","","Chambers, Geoffrey M.; Huynh, Mioy T.; Li, Yulong; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B.; Reijerse, Edward; Lubitz, Wolfgang","Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site.","Inorganic chemistry","2016","55","2","419","431","10.1021/acs.inorgchem.5b01662","","","0.71073","MoKα","","0.0385","0.0311","","","0.0855","0.0894","","","","","","1.062","","","","has coordinates","231833","2020-10-21","18:00:00",""
"4346615","11.214","0.0009","9.6052","0.0009","10.2868","0.0009","90","","114.327","0.002","90","","1009.64","0.15","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Pu oxalate","","","- C6 O22 Pu2 -","- C6 O21 Pu2 -","- C12 O42 Pu4 -","2","0.5","","Tamain, C.; Arab-Chapelet, B; Rivenet, M.; Legoff, X. F.; Loubert, G.; Grandjean, S.; Abraham, F.","Coordination Modes of Americium in the Am2(C2O4)3(H2O)6·4H2O Oxalate: Synthesis, Crystal Structure, Spectroscopic Characterizations and Comparison in the M2(C2O4)3(H2O)6·nH2O (M = Ln, An) Series.","Inorganic chemistry","2016","55","1","51","61","10.1021/acs.inorgchem.5b01781","","","0.71073","MoKα","","0.0358","0.0252","","","0.0603","0.0764","","","","","","1.089","","","","has coordinates","231881","2020-10-21","18:00:00",""
"4346616","11.188","0.001","9.489","0.001","10.234","0.001","90","","114.308","0.001","90","","990.15","0.17","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Am oxalate","","","- C6 H12 Am2 O23 -","- C6 H12 Am2 O22 -","- C12 H24 Am4 O44 -","2","0.5","","Tamain, C.; Arab-Chapelet, B; Rivenet, M.; Legoff, X. F.; Loubert, G.; Grandjean, S.; Abraham, F.","Coordination Modes of Americium in the Am2(C2O4)3(H2O)6·4H2O Oxalate: Synthesis, Crystal Structure, Spectroscopic Characterizations and Comparison in the M2(C2O4)3(H2O)6·nH2O (M = Ln, An) Series.","Inorganic chemistry","2016","55","1","51","61","10.1021/acs.inorgchem.5b01781","","","0.71069","MoKα","","0.044","0.0312","","","0.0724","0.0793","","","","","","1.037","","","","has coordinates","231882","2020-10-21","18:00:00",""
"4346622","12.1802","0.0004","12.7467","0.0004","10.0066","0.0002","90","","90","","90","","1553.6","0.08","296","2","296","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- H30 Na6 Nb5 O34 Te -","- Na6 Nb5 O33.2 Te -","- Na12 Nb10 O66.4 Te2 -","2","0.25","","Abramov, Pavel A.; Zemerova, Tatiana P.; Moroz, Nikolay K.; Kompankov, Nikolay B.; Zhdanov, Artem A.; Tsygankova, Alfiya R.; Vicent, Cristian; Sokolov, Maxim N.","Synthesis and Characterization of [(OH)TeNb5O18](6-) in Water Solution, Comparison with [Nb6O19](8-).","Inorganic chemistry","2016","55","4","1381","1389","10.1021/acs.inorgchem.5b01806","","","0.71073","MoKα","","0.0367","0.0331","","","0.0921","0.0942","","","","","","1.137","","","","has coordinates","231888","2020-10-21","18:00:00",""
"4346623","9.7486","0.0006","10.4111","0.0006","16.5294","0.0012","82.836","0.003","80.36","0.004","77.789","0.003","1609.56","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- H26 K6 Na Nb5.5 O32 Te0.5 -","- K6 Na Nb5.5 O32 Te0.5 -","- K12 Na2 Nb11 O64 Te -","2","1","","Abramov, Pavel A.; Zemerova, Tatiana P.; Moroz, Nikolay K.; Kompankov, Nikolay B.; Zhdanov, Artem A.; Tsygankova, Alfiya R.; Vicent, Cristian; Sokolov, Maxim N.","Synthesis and Characterization of [(OH)TeNb5O18](6-) in Water Solution, Comparison with [Nb6O19](8-).","Inorganic chemistry","2016","55","4","1381","1389","10.1021/acs.inorgchem.5b01806","","x-ray","0.71073","MoKα","","0.0497","0.0325","","","0.0733","0.0838","","","","","","1.047","","","","has coordinates","231888","2020-10-21","18:00:00",""
"4346624","10.4704","0.0005","10.4817","0.0005","14.5728","0.0007","88.822","0.002","83.095","0.002","67.06","0.002","1461.56","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H78 Na3 Nb5 O43 Rh2 Te -","- C20 H30 Na3 Nb5 O43 Rh2 Te -","- C20 H30 Na3 Nb5 O43 Rh2 Te -","1","0.5","","Abramov, Pavel A.; Zemerova, Tatiana P.; Moroz, Nikolay K.; Kompankov, Nikolay B.; Zhdanov, Artem A.; Tsygankova, Alfiya R.; Vicent, Cristian; Sokolov, Maxim N.","Synthesis and Characterization of [(OH)TeNb5O18](6-) in Water Solution, Comparison with [Nb6O19](8-).","Inorganic chemistry","2016","55","4","1381","1389","10.1021/acs.inorgchem.5b01806","","x-ray","0.71073","MoKα","","0.0626","0.0529","","","0.1104","0.1147","","","","","","1.178","","","","has coordinates","231888","2020-10-21","18:00:00",""
"4346625","15.153","0.002","23.334","0.003","20.83","0.003","90","","110.043","0.004","90","","6919","1.6","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H106 N6 Si -","- C78 H106 N6 Si -","- C312 H424 N24 Si4 -","4","1","","Seow, Celestine; Yim, Wai-Leung; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Synthesis of an N-Heterocyclic-Carbene-Stabilized Siladiimide.","Inorganic chemistry","2016","55","1","4","6","10.1021/acs.inorgchem.5b01818","","","0.71073","MoKα","","0.1515","0.0699","","","0.1665","0.2093","","","","","","1.014","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4346626","19.024","0.004","18.708","0.004","14.086","0.003","90","","90","","90","","5013.2","1.8","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C55 H78 N4 O Si -","- C55 H78 N4 O Si -","- C220 H312 N16 O4 Si4 -","4","1","","Seow, Celestine; Yim, Wai-Leung; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Synthesis of an N-Heterocyclic-Carbene-Stabilized Siladiimide.","Inorganic chemistry","2016","55","1","4","6","10.1021/acs.inorgchem.5b01818","","","0.71073","","","0.147","0.0516","","","0.0803","0.0993","","","","","","0.809","","","","has coordinates","231889","2020-10-21","18:00:00",""
"4346657","24.072","0.002","24.072","0.002","54.827","0.01","90","","90","","90","","31770","7","173","","173","","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C96 H256 Br14 N6 O32 Ti6 -","- C96 H256 Br14 N6 O32 Ti6 -","- C768 H2048 Br112 N48 O256 Ti48 -","8","0.5","","Zhang, Guanyun; Hou, Jie; Li, Mingzhong; Tung, Chen-Ho; Wang, Yifeng","Counteranion-Stabilized Titanium(IV) Isopolyoxocationic Clusters Isolated from Water.","Inorganic chemistry","2016","55","10","4704","4709","10.1021/acs.inorgchem.5b01901","","","0.71073","MoKα","","0.1248","0.0665","","","0.1323","0.153","","","","","","1.013","","","","has coordinates,has disorder","231908","2020-10-21","18:00:00",""
"4346658","12.592","0.002","12.592","0.002","28.454","0.004","90","","90","","120","","3907.2","1","173","","173","","","","","","","","","4","R -3 :H","-R 3","148","","","","- H48 I8.5 O36 Ti8 -","- H48 I8.5 O36 Ti8 -","- H144 I25.5 O108 Ti24 -","3","0.166667","","Zhang, Guanyun; Hou, Jie; Li, Mingzhong; Tung, Chen-Ho; Wang, Yifeng","Counteranion-Stabilized Titanium(IV) Isopolyoxocationic Clusters Isolated from Water.","Inorganic chemistry","2016","55","10","4704","4709","10.1021/acs.inorgchem.5b01901","","","0.71073","MoKα","","0.0522","0.0427","","","0.0994","0.1035","","","","","","1.125","","","","has coordinates","231909","2020-10-21","18:00:00",""
"4346659","33.2861","0.0014","33.2861","0.0014","56.069","0.002","90","","90","","90","","62122","4","173.15","","173.15","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C96 H256 Cl14 N6 O32 Ti6 -","- C96 H256 Cl14 N6 O32 Ti6 -","- C1536 H4096 Cl224 N96 O512 Ti96 -","16","2","","Zhang, Guanyun; Hou, Jie; Li, Mingzhong; Tung, Chen-Ho; Wang, Yifeng","Counteranion-Stabilized Titanium(IV) Isopolyoxocationic Clusters Isolated from Water.","Inorganic chemistry","2016","55","10","4704","4709","10.1021/acs.inorgchem.5b01901","","","0.71073","MoKα","","0.1435","0.1059","","","0.2696","0.3191","","","","","","1.036","","","","has coordinates","231910","2020-10-21","18:00:00",""
"4346660","8.4275","0.0001","10.7512","0.0002","10.5321","0.0002","90","","94.714","0.001","90","","951.04","0.03","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Mn2 O8 S2 -","- C14 H14 Mn2 O8 S2 -","- C28 H28 Mn4 O16 S4 -","2","0.5","","Mede, Ralf; Klein, Moritz; Claus, Ralf A.; Krieck, Sven; Quickert, Stefanie; Görls, Helmar; Neugebauer, Ute; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Bauer, Michael; Westerhausen, Matthias","CORM-EDE1: A Highly Water-Soluble and Nontoxic Manganese-Based photoCORM with a Biogenic Ligand Sphere.","Inorganic chemistry","2016","55","1","104","113","10.1021/acs.inorgchem.5b01904","","","0.71073","MoKα","","0.016","0.0156","","","0.0414","0.0418","","","","","","1.058","","","","has coordinates","231911","2020-10-21","18:00:00",""
"4346661","12.7912","0.0003","12.9643","0.0003","13.1949","0.0003","76.672","0.001","69.999","0.001","60.895","0.001","1791","0.07","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H45 Br2 Mn2 N3 O9 S3 -","- C24 H45 Br2 Mn2 N3 O9 S3 -","- C48 H90 Br4 Mn4 N6 O18 S6 -","2","1","","Mede, Ralf; Klein, Moritz; Claus, Ralf A.; Krieck, Sven; Quickert, Stefanie; Görls, Helmar; Neugebauer, Ute; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Bauer, Michael; Westerhausen, Matthias","CORM-EDE1: A Highly Water-Soluble and Nontoxic Manganese-Based photoCORM with a Biogenic Ligand Sphere.","Inorganic chemistry","2016","55","1","104","113","10.1021/acs.inorgchem.5b01904","","","0.71073","MoKα","","0.0431","0.0372","","","0.0824","0.0869","","","","","","1.074","","","","has coordinates","231911","2020-10-21","18:00:00",""
"4346662","13.4522","0.0003","13.9794","0.0003","14.5981","0.0003","90","","90","","90","","2745.23","0.1","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 Mn2 N3 O7 S3 -","- C24 H21 Mn2 N3 O7 S3 -","- C96 H84 Mn8 N12 O28 S12 -","4","1","","Mede, Ralf; Klein, Moritz; Claus, Ralf A.; Krieck, Sven; Quickert, Stefanie; Görls, Helmar; Neugebauer, Ute; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Bauer, Michael; Westerhausen, Matthias","CORM-EDE1: A Highly Water-Soluble and Nontoxic Manganese-Based photoCORM with a Biogenic Ligand Sphere.","Inorganic chemistry","2016","55","1","104","113","10.1021/acs.inorgchem.5b01904","","","0.71073","MoKα","","0.0352","0.032","","","0.0673","0.069","","","","","","1.09","","","","has coordinates","231911","2020-10-21","18:00:00",""
"4346663","12.5315","0.0002","13.2913","0.0002","13.5195","0.0002","91.901","0.001","92.247","0.001","112.733","0.001","2072.43","0.06","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H33 Br Cl Mo N8 O2 Sn -","- C47 H33 Br Cl Mo N8 O2 Sn -","- C94 H66 Br2 Cl2 Mo2 N16 O4 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States.","Inorganic chemistry","2016","55","4","1390","1402","10.1021/acs.inorgchem.5b01906","","","0.71073","MoKα","","0.0387","0.0343","","","0.0949","0.1006","","","","","","1.072","","","","has coordinates,has disorder","231912","2020-10-21","18:00:00",""
"4346664","13.4963","0.0002","22.4928","0.0002","34.7416","0.0005","90","","90","","90","","10546.5","0.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C56 H56 Cl2 N10 Na O6 Sn -","- C56 H56 Cl2 N10 Na O6 Sn -","- C448 H448 Cl16 N80 Na8 O48 Sn8 -","8","2","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States.","Inorganic chemistry","2016","55","4","1390","1402","10.1021/acs.inorgchem.5b01906","","x-ray","0.71073","MoKα","","0.0854","0.0592","","","0.1366","0.1502","","","","","","1.043","","","","has coordinates,has disorder","231912","2020-10-21","18:00:00",""
"4346665","11.3884","0.0003","22.9569","0.0007","23.6336","0.0007","90","","90.574","0.002","90","","6178.5","0.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C66 H63 Cl3 Fe N10 Na O8 Sn -","- C66 H63 Cl3 Fe N10 Na O8 Sn -","- C264 H252 Cl12 Fe4 N40 Na4 O32 Sn4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States.","Inorganic chemistry","2016","55","4","1390","1402","10.1021/acs.inorgchem.5b01906","","x-ray","0.71073","MoKα","","0.0758","0.0472","","","0.1043","0.1172","","","","","","1.021","","","","has coordinates,has disorder","231912","2020-10-21","18:00:00",""
"4346666","13.3558","0.0003","37.2399","0.0006","16.3799","0.0003","90","","98.649","0.002","90","","8054.2","0.3","150","2","150","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C168 H160 Cl2 Fe3 N30 Na3 O30 Sn3 -","- C168 H160 Cl2 Fe3 N30 Na3 O30 Sn3 -","- C336 H320 Cl4 Fe6 N60 Na6 O60 Sn6 -","2","0.5","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States.","Inorganic chemistry","2016","55","4","1390","1402","10.1021/acs.inorgchem.5b01906","","x-ray","0.71073","MoKα","","0.089","0.0587","","","0.1199","0.1322","","","","","","1.047","","","","has coordinates,has disorder","231912","2020-10-21","18:00:00",""
"4346667","17.0023","0.0004","17.4314","0.0005","17.7859","0.0003","85.695","0.002","88.189","0.002","77.512","0.002","5131.4","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C110 H87 Cl7 Mo N18 Na O8 Sn2 -","- C110 H87 Cl7 Mo N18 Na O8 Sn2 -","- C220 H174 Cl14 Mo2 N36 Na2 O16 Sn4 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States.","Inorganic chemistry","2016","55","4","1390","1402","10.1021/acs.inorgchem.5b01906","","x-ray","0.71073","MoKα","","0.1143","0.0623","","","0.1455","0.1779","","","","","","1.04","","","","has coordinates,has disorder","231912","2020-10-21","18:00:00",""
"4346668","13.0896","0.0001","26.0217","0.0003","18.9023","0.0002","90","","95.741","0.001","90","","6406.09","0.11","180","2","180","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C66 H71 Cl4 N10 Na O6 Rh Sn -","- C66 H71 Cl4 N10 Na O6 Rh Sn -","- C264 H284 Cl16 N40 Na4 O24 Rh4 Sn4 -","4","2","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States.","Inorganic chemistry","2016","55","4","1390","1402","10.1021/acs.inorgchem.5b01906","","x-ray","0.71073","MoKα","","0.067","0.0477","","","0.0891","0.0964","","","","","","1.031","","","","has coordinates","231912","2020-10-21","18:00:00",""
"4346669","11.9653","0.0004","12.4086","0.0005","19.4571","0.0006","75.005","0.003","72.626","0.003","73.457","0.003","2594.84","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H41 N8 O2 Ru Sn -","- C69 H41 N8 O2 Ru Sn -","- C138 H82 N16 O4 Ru2 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States.","Inorganic chemistry","2016","55","4","1390","1402","10.1021/acs.inorgchem.5b01906","","x-ray","0.71073","MoKα","","0.0422","0.0312","","","0.0728","0.0775","","","","","","1.057","","","","has coordinates","231912","2020-10-21","18:00:00",""
"4346699","10.0004","0.0005","13.5182","0.0006","13.6069","0.0007","103.422","0.002","94.949","0.003","104.926","0.002","1707.87","0.15","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0232","0.0221","","","0.0561","0.057","","","","","","1.031","","","","has coordinates,has disorder","231932","2020-10-21","18:00:00",""
"4346700","9.9816","0.0011","13.5063","0.0015","13.6154","0.0015","103.21","0.008","94.992","0.007","104.815","0.008","1706.8","0.3","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0724","0.0534","","","0.1326","0.1532","","","","","","1.033","","","","has coordinates","231932","2020-10-21","18:00:00",""
"4346701","9.9915","0.0011","13.523","0.0014","13.6152","0.0017","103.316","0.01","94.821","0.01","104.847","0.008","1710.3","0.4","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.067","0.0502","","","0.1223","0.1369","","","","","","1.029","","","","has coordinates","231932","2020-10-21","18:00:00",""
"4346702","10.033","0.003","13.529","0.005","13.644","0.004","103.75","0.03","95.18","0.02","105.5","0.02","1709.9","1","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.116","0.085","","","0.2324","0.2909","","","","","","1.124","","","","has coordinates","231932","2020-10-21","18:00:00",""
"4346703","9.9986","0.0007","13.5237","0.0009","13.6298","0.0011","103.233","0.004","94.934","0.004","104.774","0.004","1714.2","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0542","0.0453","","","0.1136","0.1229","","","","","","1.022","","","","has coordinates","231932","2020-10-21","18:00:00",""
"4346704","9.9886","0.0012","13.5037","0.0012","13.5899","0.0019","103.37","0.007","94.808","0.007","104.838","0.007","1703.8","0.4","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0645","0.0529","","","0.1352","0.15","","","","","","1.035","","","","has coordinates","231932","2020-10-21","18:00:00",""
"4346705","9.9987","0.0008","13.5007","0.0009","13.6219","0.0009","103.265","0.005","94.975","0.006","104.86","0.005","1709.1","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0725","0.0556","","","0.14","0.1575","","","","","","1.022","","","","has coordinates","231932","2020-10-21","18:00:00",""
"4346706","9.9966","0.0004","13.506","0.0006","13.6147","0.0006","103.303","0.003","95.009","0.003","104.796","0.003","1708.57","0.13","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0562","0.0472","","","0.1119","0.12","","","","","","1.027","","","","has coordinates","231932","2020-10-21","18:00:00",""
"4346707","10.2725","0.0008","14.137","0.0011","30.687","0.003","97.473","0.005","97.513","0.005","109.476","0.004","4092.9","0.6","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H72 Co2 Mo10 N6 O60 -","- C48 H42 Co2 Mo10 N6 O60 -","- C96 H84 Co4 Mo20 N12 O120 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.1315","0.1171","","","0.2955","0.3046","","","","","","1.05","","","","has coordinates","231933","2020-10-21","18:00:00",""
"4346708","9.9905","0.0005","13.5089","0.001","13.589","0.0012","103.299","0.004","94.963","0.004","104.892","0.003","1704","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0289","0.0265","","","0.0637","0.0657","","","","","","1.039","","","","has coordinates","231933","2020-10-21","18:00:00",""
"4346709","9.9965","0.0006","13.5184","0.0009","13.6264","0.0009","103.428","0.004","94.888","0.003","104.87","0.004","1710.4","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0409","0.0377","","","0.0995","0.102","","","","","","1.026","","","","has coordinates","231933","2020-10-21","18:00:00",""
"4346710","9.9724","0.0009","13.5235","0.0014","13.5824","0.0015","103.364","0.005","94.848","0.006","104.852","0.005","1702.4","0.3","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C32 H58 Co2 Mo10 N4 Ni O57 -","- C32 H28 Co2 Mo10 N4 Ni O57 -","- C32 H28 Co2 Mo10 N4 Ni O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0247","0.0238","","","0.0616","0.0623","","","","","","1.031","","","","has coordinates","231933","2020-10-21","18:00:00",""
"4346711","10.016","0.002","13.492","0.002","13.691","0.002","104.126","0.01","94.269","0.012","104.85","0.011","1715.7","0.5","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C32 H58 Co2 Cu Mo10 N4 O57 -","- C32 H28 Co2 Cu Mo10 N4 O57 -","- C32 H28 Co2 Cu Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0314","0.0287","","","0.0706","0.0726","","","","","","1.027","","","","has coordinates","231933","2020-10-21","18:00:00",""
"4346712","9.9857","0.0007","13.5087","0.0008","13.6003","0.0008","103.337","0.003","94.837","0.004","104.866","0.003","1705.16","0.19","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C32 H58 Co2 Mo10 N4 O57 Zn -","- C32 H28 Co2 Mo10 N4 O57 Zn -","- C32 H28 Co2 Mo10 N4 O57 Zn -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0221","0.0214","","","0.0574","0.0581","","","","","","1.039","","","","has coordinates","231933","2020-10-21","18:00:00",""
"4346713","10.0028","0.0002","13.5442","0.0002","13.6499","0.0002","103.434","0.001","94.737","0.001","104.884","0.001","1718.32","0.05","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C32 H58 Cd Co2 Mo10 N4 O57 -","- C32 H28 Cd Co2 Mo10 N4 O57 -","- C32 H28 Cd Co2 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0252","0.0238","","","0.0626","0.0636","","","","","","1.026","","","","has coordinates","231933","2020-10-21","18:00:00",""
"4346722","18.3393","0.0004","18.9149","0.0003","21.2275","0.0003","91.1721","0.0013","114.727","0.0017","118.837","0.0019","5625.8","0.3","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C101.53 H116.06 Cl5.06 F9 Mn N7 O11 S3 -","- C101.528 H116.056 Cl5.056 F9 Mn N7 O11 S3 -","- C203.056 H232.112 Cl10.112 F18 Mn2 N14 O22 S6 -","2","1","","Jung, Jieun; Neu, Heather M.; Leeladee, Pannee; Siegler, Maxime A.; Ohkubo, Kei; Goldberg, David P.; Fukuzumi, Shunichi","Photocatalytic Oxygenation of Substrates by Dioxygen with Protonated Manganese(III) Corrolazine.","Inorganic chemistry","2016","55","7","3218","3228","10.1021/acs.inorgchem.5b02019","","","1.54178","CuKα","","0.0524","0.05","","","0.1381","0.1403","","","","","","1.036","","","","has coordinates,has disorder","231936","2020-10-21","18:00:00",""
"4346723","19.9174","0.0005","21.8922","0.0004","20.3238","0.0005","90","","110.584","0.003","90","","8296.1","0.4","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C97 H105 F3 Mn N7 O3 S -","- C97 H105 F3 Mn N7 O3 S -","- C388 H420 F12 Mn4 N28 O12 S4 -","4","1","","Jung, Jieun; Neu, Heather M.; Leeladee, Pannee; Siegler, Maxime A.; Ohkubo, Kei; Goldberg, David P.; Fukuzumi, Shunichi","Photocatalytic Oxygenation of Substrates by Dioxygen with Protonated Manganese(III) Corrolazine.","Inorganic chemistry","2016","55","7","3218","3228","10.1021/acs.inorgchem.5b02019","","","0.71073","MoKα","","0.0977","0.0624","","","0.1552","0.1734","","","","","","1.041","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4346730","9.8856","0.0013","10.1476","0.0013","15.386","0.002","72.931","0.002","79.621","0.002","89.431","0.002","1449.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 N5 Ni S4 -","- C24 H40 N5 Ni S4 -","- C48 H80 N10 Ni2 S8 -","2","1","","Kennedy, Steven R.; Goyal, Puja; Kozar, Morgan N.; Yennawar, Hemant P.; Hammes-Schiffer, Sharon; Lear, Benjamin J.","Effect of Protonation upon Electronic Coupling in the Mixed Valence and Mixed Protonated Complex, [Ni(2,3-pyrazinedithiol)2].","Inorganic chemistry","2016","55","4","1433","1445","10.1021/acs.inorgchem.5b02035","","","0.71073","MoKα","","0.0943","0.0605","","","0.1248","0.1387","","","","","","1.031","","","","has coordinates","231940","2020-10-21","18:00:00",""
"4346731","7.9683","0.0019","20.411","0.005","14.249","0.004","90","","97.122","0.005","90","","2299.6","1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H38 N3 Ni0.5 S2 -","- C20 H38 N3 Ni0.5 S2 -","- C80 H152 N12 Ni2 S8 -","4","1","","Kennedy, Steven R.; Goyal, Puja; Kozar, Morgan N.; Yennawar, Hemant P.; Hammes-Schiffer, Sharon; Lear, Benjamin J.","Effect of Protonation upon Electronic Coupling in the Mixed Valence and Mixed Protonated Complex, [Ni(2,3-pyrazinedithiol)2].","Inorganic chemistry","2016","55","4","1433","1445","10.1021/acs.inorgchem.5b02035","","","0.71073","MoKα","","0.1303","0.0659","","","0.1446","0.1722","","","","","","1.014","","","","has coordinates","231941","2020-10-21","18:00:00",""
"4346735","9.9182","0.0008","10.2696","0.0007","12.2226","0.0009","75.023","0.006","73.496","0.007","83.654","0.006","1152.18","0.16","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","nno_na","","","- C50 H66 N4 Na2 O4 -","- C50 H66 N4 Na2 O4 -","- C50 H66 N4 Na2 O4 -","1","0.5","","Ou, Hsiu-Wei; Lo, Kai-Hsuan; Du, Wei-Ting; Lu, Wei-Yi; Chuang, Wan-Jung; Huang, Bor-Hunn; Chen, Hsuan-Ying; Lin, Chu-Chieh","Synthesis of Sodium Complexes Supported with NNO-Tridentate Schiff Base Ligands and Their Applications in the Ring-Opening Polymerization of L-Lactide.","Inorganic chemistry","2016","55","4","1423","1432","10.1021/acs.inorgchem.5b02043","","","0.71073","MoKα","","0.0618","0.0484","","","0.1654","0.1822","","","","","","1.043","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4346736","9.9724","0.0006","10.4059","0.0009","12.3474","0.0009","74.716","0.007","72.856","0.006","82.905","0.006","1179.61","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","naphcl","","","- C50 H64 Cl2 N4 Na2 O4 -","- C50 H64 Cl2 N4 Na2 O4 -","- C50 H64 Cl2 N4 Na2 O4 -","1","0.5","","Ou, Hsiu-Wei; Lo, Kai-Hsuan; Du, Wei-Ting; Lu, Wei-Yi; Chuang, Wan-Jung; Huang, Bor-Hunn; Chen, Hsuan-Ying; Lin, Chu-Chieh","Synthesis of Sodium Complexes Supported with NNO-Tridentate Schiff Base Ligands and Their Applications in the Ring-Opening Polymerization of L-Lactide.","Inorganic chemistry","2016","55","4","1423","1432","10.1021/acs.inorgchem.5b02043","","","0.71073","MoKα","","0.0747","0.0457","","","0.0864","0.0968","","","","","","1.008","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4346741","11.627","0.002","15.143","0.004","23.591","0.004","100.779","0.014","94.543","0.011","99.059","0.014","4004.1","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H30 Cl2 Fe N10 O10 -","- C42 H30 Cl2 Fe N10 O10 -","- C168 H120 Cl8 Fe4 N40 O40 -","4","2","","Barrios, Leoní A; Bartual-Murgui, Carlos; Peyrecave-Lleixà, Eugènia; Le Guennic, Boris; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem","Homoleptic versus Heteroleptic Formation of Mononuclear Fe(II) Complexes with Tris-Imine Ligands.","Inorganic chemistry","2016","55","9","4110","4116","10.1021/acs.inorgchem.5b02058","","","0.7749","synchrotron","","0.1976","0.1725","","","0.4277","0.4434","","","","","","1.328","","","","has coordinates","231946","2020-10-21","18:00:00",""
"4346742","8.471","0.006","22.725","0.018","10.833","0.008","90","","103.12","0.016","90","","2031","3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H33 Cl3 Fe N8 O11 -","- C41 H33 Cl3 Fe N8 O11 -","- C82 H66 Cl6 Fe2 N16 O22 -","2","1","","Barrios, Leoní A; Bartual-Murgui, Carlos; Peyrecave-Lleixà, Eugènia; Le Guennic, Boris; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem","Homoleptic versus Heteroleptic Formation of Mononuclear Fe(II) Complexes with Tris-Imine Ligands.","Inorganic chemistry","2016","55","9","4110","4116","10.1021/acs.inorgchem.5b02058","","","0.71073","MoKα","","0.0713","0.0493","","","0.0758","0.0835","","","","","","0.988","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4346743","8.6059","0.0004","23.091","0.0009","10.8988","0.0004","90","","103.08","0.003","90","","2109.61","0.15","350","2","350","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H33 Cl3 Fe N8 O11 -","- C41 H33 Cl3 Fe N8 O11 -","- C82 H66 Cl6 Fe2 N16 O22 -","2","1","","Barrios, Leoní A; Bartual-Murgui, Carlos; Peyrecave-Lleixà, Eugènia; Le Guennic, Boris; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem","Homoleptic versus Heteroleptic Formation of Mononuclear Fe(II) Complexes with Tris-Imine Ligands.","Inorganic chemistry","2016","55","9","4110","4116","10.1021/acs.inorgchem.5b02058","","","0.7749","synchrotron","","0.067","0.0479","","","0.1156","0.1262","","","","","","1","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4346744","8.7293","0.0004","8.7613","0.0005","38.725","0.002","90","","91.95","0.003","90","","2960","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Cl2 Fe N6 O9 -","- C30 H22 Cl2 Fe N6 O9 -","- C120 H88 Cl8 Fe4 N24 O36 -","4","1","","Barrios, Leoní A; Bartual-Murgui, Carlos; Peyrecave-Lleixà, Eugènia; Le Guennic, Boris; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem","Homoleptic versus Heteroleptic Formation of Mononuclear Fe(II) Complexes with Tris-Imine Ligands.","Inorganic chemistry","2016","55","9","4110","4116","10.1021/acs.inorgchem.5b02058","","","0.7749","","","0.0878","0.0785","","","0.1769","0.18","","","","","","1.231","","","","has coordinates","231949","2020-10-21","18:00:00",""
"4346745","13.606","0.003","13.738","0.004","16.26","0.005","77.619","0.005","67.345","0.007","67.933","0.009","2590.7","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H48 Cl2 Fe N10 O13 -","- C51 H48 Cl2 Fe N10 O13 -","- C102 H96 Cl4 Fe2 N20 O26 -","2","1","","Barrios, Leoní A; Bartual-Murgui, Carlos; Peyrecave-Lleixà, Eugènia; Le Guennic, Boris; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem","Homoleptic versus Heteroleptic Formation of Mononuclear Fe(II) Complexes with Tris-Imine Ligands.","Inorganic chemistry","2016","55","9","4110","4116","10.1021/acs.inorgchem.5b02058","","","0.7749","synchrotron","","0.0578","0.0472","","","0.1242","0.1323","","","","","","1.037","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4346746","10.0336","0.0015","14.763","0.002","14.922","0.002","86.654","0.003","80.519","0.003","72.032","0.003","2073.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H118 N12 O2 Zn2 -","- C96 H118 N12 O2 Zn2 -","- C96 H118 N12 O2 Zn2 -","1","0.5","","Dey, Soumyajit; Sil, Debangsu; Pandit, Younis Ahmad; Rath, Sankar Prasad","Effect of Two Interacting Rings in Metalloporphyrin Dimers upon Stepwise Oxidations.","Inorganic chemistry","2016","55","7","3229","3238","10.1021/acs.inorgchem.5b02065","","","0.71073","MoKα","","0.0938","0.0716","","","0.174","0.1895","","","","","","1.033","","","","has coordinates,has disorder","231951","2020-10-21","18:00:00",""
"4346747","11","0.005","12.095","0.005","23.23","0.005","81.987","0.005","82.363","0.005","81.137","0.005","3004","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H88 N8 Zn2 -","- C74 H88 N8 Zn2 -","- C148 H176 N16 Zn4 -","2","1","","Dey, Soumyajit; Sil, Debangsu; Pandit, Younis Ahmad; Rath, Sankar Prasad","Effect of Two Interacting Rings in Metalloporphyrin Dimers upon Stepwise Oxidations.","Inorganic chemistry","2016","55","7","3229","3238","10.1021/acs.inorgchem.5b02065","","","0.71069","MoKα","","0.1005","0.0628","","","0.131","0.1552","","","","","","1.031","","","","has coordinates","231952","2020-10-21","18:00:00",""
"4346748","17.995","0.002","19.272","0.003","22.366","0.003","90","","69.453","0.004","90","","7263.1","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H93 Cl3 F6 N8 Sb -","- C75 H93 Cl3 F6 N8 Sb -","- C300 H372 Cl12 F24 N32 Sb4 -","4","1","","Dey, Soumyajit; Sil, Debangsu; Pandit, Younis Ahmad; Rath, Sankar Prasad","Effect of Two Interacting Rings in Metalloporphyrin Dimers upon Stepwise Oxidations.","Inorganic chemistry","2016","55","7","3229","3238","10.1021/acs.inorgchem.5b02065","","","0.71073","MoKα","","0.176","0.0838","","","0.191","0.2461","","","","","","0.982","","","","has coordinates,has disorder","231953","2020-10-21","18:00:00",""
"4346749","10.99","0.003","12.313","0.004","23.058","0.007","83.69","0.007","83.644","0.006","80.347","0.007","3043.8","1.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C74 H92 N8 -","- C74 H92 N8 -","- C148 H184 N16 -","2","1","","Dey, Soumyajit; Sil, Debangsu; Pandit, Younis Ahmad; Rath, Sankar Prasad","Effect of Two Interacting Rings in Metalloporphyrin Dimers upon Stepwise Oxidations.","Inorganic chemistry","2016","55","7","3229","3238","10.1021/acs.inorgchem.5b02065","","","0.71073","MoKα","","0.0755","0.049","","","0.1147","0.1278","","","","","","1.014","","","","has coordinates,has disorder","231954","2020-10-21","18:00:00",""
"4346750","27.198","0.009","13.915","0.005","21.678","0.005","90","","112.869","0.006","90","","7559","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H92 F12 N8 O2 Sb2 Zn2 -","- C74 H92 F12 N8 O2 Sb2 Zn2 -","- C296 H368 F48 N32 O8 Sb8 Zn8 -","4","0.5","","Dey, Soumyajit; Sil, Debangsu; Pandit, Younis Ahmad; Rath, Sankar Prasad","Effect of Two Interacting Rings in Metalloporphyrin Dimers upon Stepwise Oxidations.","Inorganic chemistry","2016","55","7","3229","3238","10.1021/acs.inorgchem.5b02065","","","0.71069","MoKα","","0.0647","0.0484","","","0.1142","0.1237","","","","","","1.048","","","","has coordinates,has disorder","231955","2020-10-21","18:00:00",""
"4346757","7.5292","0.0009","7.5813","0.0009","18.337","0.002","85.9253","0.0017","85.6604","0.0017","70.044","0.0017","979.9","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","FcCH2COOPc","","","- C45 H50 Cl2 Fe N4 O2 -","- C45 H50 Cl2 Fe N4 O2 -","- C45 H50 Cl2 Fe N4 O2 -","1","1","","Abe, Masaaki; Yamada, Hiroaki; Okawara, Toru; Fujitsuka, Mamoru; Majima, Tetsuro; Hisaeda, Yoshio","Covalently Attached Porphycene-Ferrocene Dyads: Synthesis, Redox-Switched Emission, and Observation of the Charge-Separated State.","Inorganic chemistry","2016","55","1","7","9","10.1021/acs.inorgchem.5b02078","","","0.71073","MoKα","","0.0479","0.0452","","","0.1077","0.1117","","","","","","1.026","","","","has coordinates","231962","2020-10-21","18:00:00",""
"4346794","17.436","0.006","15.492","0.005","11.082","0.004","90","","94.61","0.004","90","","2983.8","1.8","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2","","","- C48 H68 Cl12 N4 W4 -","- C48 H68 Cl12 N4 W4 -","- C96 H136 Cl24 N8 W8 -","2","0.5","","Tanahashi, Hiromasa; Ikeda, Hideaki; Tsurugi, Hayato; Mashima, Kazushi","Synthesis and Characterization of Paramagnetic Tungsten Imido Complexes Bearing α-Diimine Ligands.","Inorganic chemistry","2016","55","4","1446","1452","10.1021/acs.inorgchem.5b02145","","","0.71075","MoKα","","0.0856","0.0461","","","0.0773","0.0919","","","","","","1.044","","","","has coordinates","231982","2020-10-21","18:00:00",""
"4346795","9.1419","0.0037","19.2878","0.0078","22.9034","0.0094","90","","99.7606","0.0047","90","","3980","3","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H57 Cl3 N3 W -","- C40 H57 Cl3 N3 W -","- C160 H228 Cl12 N12 W4 -","4","1","","Tanahashi, Hiromasa; Ikeda, Hideaki; Tsurugi, Hayato; Mashima, Kazushi","Synthesis and Characterization of Paramagnetic Tungsten Imido Complexes Bearing α-Diimine Ligands.","Inorganic chemistry","2016","55","4","1446","1452","10.1021/acs.inorgchem.5b02145","","","0.71075","MoKα","","0.0701","0.0644","","","0.1409","0.1482","","","","","","1.216","","","","has coordinates","231982","2020-10-21","18:00:00",""
"4346796","11.842","","12.9906","0.0005","20.7172","0.0008","89.723","0.009","73.401","0.009","73.312","0.008","2915.2","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","6","","","- C63 H84 Cl3 N3 W -","- C63 H84 Cl3 N3 W -","- C126 H168 Cl6 N6 W2 -","2","1","","Tanahashi, Hiromasa; Ikeda, Hideaki; Tsurugi, Hayato; Mashima, Kazushi","Synthesis and Characterization of Paramagnetic Tungsten Imido Complexes Bearing α-Diimine Ligands.","Inorganic chemistry","2016","55","4","1446","1452","10.1021/acs.inorgchem.5b02145","","","0.71075","MoKα","","0.0521","0.0424","","","0.0888","0.0984","","","","","","1.114","","","","has coordinates","231982","2020-10-21","18:00:00",""
"4346803","20.5598","0.0016","13.259","0.0015","15.011","0.0015","90","","116.722","0.005","90","","3655","0.6","300","","300","","","","1600000","","","","C.Stevens","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cr2 N8 -","- C48 H46 Cr2 N8 -","- C192 H184 Cr8 N32 -","4","0.5","","Stevens, Charlotte J.; Prescimone, Alessandro; Tuna, Floriana; McInnes, Eric J. L.; Parsons, Simon; Morrison, Carole A.; Arnold, Polly L.; Love, Jason B.","Inter- versus Intramolecular Structural Manipulation of a Dichromium(II) Pacman Complex through Pressure Variation.","Inorganic chemistry","2016","55","1","214","220","10.1021/acs.inorgchem.5b02151","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0747","0.05","","0.0603","0.0451","0.0451","","","","","","1.0708","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4346804","21.171","0.002","13.5754","0.0017","15.7048","0.0018","90","","114.216","0.006","90","","4116.5","0.8","300","","300","","","","137000","","","","C.Stevens","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cr2 N8 -","- C48 H46 Cr2 N8 -","- C192 H184 Cr8 N32 -","4","0.5","","Stevens, Charlotte J.; Prescimone, Alessandro; Tuna, Floriana; McInnes, Eric J. L.; Parsons, Simon; Morrison, Carole A.; Arnold, Polly L.; Love, Jason B.","Inter- versus Intramolecular Structural Manipulation of a Dichromium(II) Pacman Complex through Pressure Variation.","Inorganic chemistry","2016","55","1","214","220","10.1021/acs.inorgchem.5b02151","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.082","0.0578","","0.0939","0.0536","0.0536","","","","","","1.1886","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4346805","20.274","0.002","13.0829","0.0016","14.7075","0.0018","90","","118.194","0.006","90","","3438.2","0.7","300","","300","","","","3000000","","","","C.Stevens","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cr2 N8 -","- C48 H46 Cr2 N8 -","- C192 H184 Cr8 N32 -","4","0.5","","Stevens, Charlotte J.; Prescimone, Alessandro; Tuna, Floriana; McInnes, Eric J. L.; Parsons, Simon; Morrison, Carole A.; Arnold, Polly L.; Love, Jason B.","Inter- versus Intramolecular Structural Manipulation of a Dichromium(II) Pacman Complex through Pressure Variation.","Inorganic chemistry","2016","55","1","214","220","10.1021/acs.inorgchem.5b02151","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0813","0.0607","","0.0842","0.0606","0.0606","","","","","","1.0057","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4346806","20.448","0.0015","13.178","0.0012","14.8896","0.0013","90","","117.283","0.004","90","","3565.9","0.5","3000","","3000","","","","2100000","","","","C.Stevens","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cr2 N8 -","- C48 H46 Cr2 N8 -","- C192 H184 Cr8 N32 -","4","0.5","","Stevens, Charlotte J.; Prescimone, Alessandro; Tuna, Floriana; McInnes, Eric J. L.; Parsons, Simon; Morrison, Carole A.; Arnold, Polly L.; Love, Jason B.","Inter- versus Intramolecular Structural Manipulation of a Dichromium(II) Pacman Complex through Pressure Variation.","Inorganic chemistry","2016","55","1","214","220","10.1021/acs.inorgchem.5b02151","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0673","0.053","","0.0308","0.0241","0.0241","","","","","","1.0126","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4346807","20.7681","0.0019","13.3809","0.0016","15.2439","0.0017","90","","115.64","0.006","90","","3819.1","0.7","300","","300","","","","860000","","","","C.Stevens","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cr2 N8 -","- C48 H46 Cr2 N8 -","- C192 H184 Cr8 N32 -","4","0.5","","Stevens, Charlotte J.; Prescimone, Alessandro; Tuna, Floriana; McInnes, Eric J. L.; Parsons, Simon; Morrison, Carole A.; Arnold, Polly L.; Love, Jason B.","Inter- versus Intramolecular Structural Manipulation of a Dichromium(II) Pacman Complex through Pressure Variation.","Inorganic chemistry","2016","55","1","214","220","10.1021/acs.inorgchem.5b02151","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0768","0.0526","","0.0652","0.0434","0.0434","","","","","","1.0958","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4346808","9.209","0.005","9.664","0.006","9.664","0.004","91.015","0.011","92.098","0.009","112.038","0.017","796.2","0.7","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Cu2 I2 N4 P2 -","- C32 H26 Cu2 I2 N4 P2 -","- C32 H26 Cu2 I2 N4 P2 -","1","0.5","","Kobayashi, Atsushi; Hasegawa, Tatsuya; Yoshida, Masaki; Kato, Masako","Environmentally Friendly Mechanochemical Syntheses and Conversions of Highly Luminescent Cu(I) Dinuclear Complexes.","Inorganic chemistry","2016","55","5","1978","1985","10.1021/acs.inorgchem.5b02160","","","0.71075","MoKα","","0.0263","0.0214","","","0.0499","0.0521","","","","","","1.036","","","","has coordinates","231995","2020-10-21","18:00:00",""
"4346809","9.245","0.007","14.413","0.011","16.143","0.012","90","","96.8169","0.001","90","","2136","3","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 Cu2 I2 N6 P2 -","- C46 H36 Cu2 I2 N6 P2 -","- C92 H72 Cu4 I4 N12 P4 -","2","0.5","","Kobayashi, Atsushi; Hasegawa, Tatsuya; Yoshida, Masaki; Kato, Masako","Environmentally Friendly Mechanochemical Syntheses and Conversions of Highly Luminescent Cu(I) Dinuclear Complexes.","Inorganic chemistry","2016","55","5","1978","1985","10.1021/acs.inorgchem.5b02160","","","0.71075","MoKα","","0.049","0.0365","","","0.0777","0.0848","","","","","","1.084","","","","has coordinates","231995","2020-10-21","18:00:00",""
"4346810","9.36","0.008","10.975","0.009","15.96","0.013","90","","92.936","0.012","90","","1637","2","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Br2 Cu2 N4 P2 -","- C32 H26 Br2 Cu2 N4 P2 -","- C64 H52 Br4 Cu4 N8 P4 -","2","0.5","","Kobayashi, Atsushi; Hasegawa, Tatsuya; Yoshida, Masaki; Kato, Masako","Environmentally Friendly Mechanochemical Syntheses and Conversions of Highly Luminescent Cu(I) Dinuclear Complexes.","Inorganic chemistry","2016","55","5","1978","1985","10.1021/acs.inorgchem.5b02160","","","0.71075","MoKα","","0.0267","0.022","","","0.0565","0.0576","","","","","","1.067","","","","has coordinates","231995","2020-10-21","18:00:00",""
"4346811","9.253","0.004","10.817","0.004","15.702","0.006","90","","93.515","0.005","90","","1568.7","1.1","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Cl2 Cu2 N4 P2 -","- C32 H26 Cl2 Cu2 N4 P2 -","- C64 H52 Cl4 Cu4 N8 P4 -","2","0.5","","Kobayashi, Atsushi; Hasegawa, Tatsuya; Yoshida, Masaki; Kato, Masako","Environmentally Friendly Mechanochemical Syntheses and Conversions of Highly Luminescent Cu(I) Dinuclear Complexes.","Inorganic chemistry","2016","55","5","1978","1985","10.1021/acs.inorgchem.5b02160","","","0.71075","MoKα","","0.0505","0.0377","","","0.0886","0.1165","","","","","","1.128","","","","has coordinates","231995","2020-10-21","18:00:00",""
"4346812","8.748","0.0012","9.7073","0.0013","22.427","0.003","90","","91.322","0.002","90","","1904","0.4","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 B2 Cu2 F8 N6 P2 -","- C36 H32 B2 Cu2 F8 N6 P2 -","- C72 H64 B4 Cu4 F16 N12 P4 -","2","0.5","","Kobayashi, Atsushi; Hasegawa, Tatsuya; Yoshida, Masaki; Kato, Masako","Environmentally Friendly Mechanochemical Syntheses and Conversions of Highly Luminescent Cu(I) Dinuclear Complexes.","Inorganic chemistry","2016","55","5","1978","1985","10.1021/acs.inorgchem.5b02160","","","0.71075","MoKα","","0.0668","0.0591","","","0.173","0.1812","","","","","","1.06","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4346813","9.378","0.0003","29.2493","0.0009","10.2444","0.0003","90","","114.155","0.002","90","","2564","0.14","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Cl2 Ir N6 O2 -","- C26 H21 Cl2 Ir N6 O2 -","- C104 H84 Cl8 Ir4 N24 O8 -","4","1","","Pramanik, Shuvam; Roy, Sima; Ghorui, Tapas; Ganguly, Sanjib; Pramanik, Kausikisankar","Iridium(III) Mediated Reductive Transformation of Closed-Shell Azo-Oxime to Open-Shell Azo-Imine Radical Anion: Molecular and Electronic Structure, Electron Transfer, and Optoelectronic Properties.","Inorganic chemistry","2016","55","4","1461","1468","10.1021/acs.inorgchem.5b02185","","","0.71073","MoKα","","0.0366","0.0273","","","0.0545","0.0571","","","","","","1.085","","","","has coordinates","231996","2020-10-21","18:00:00",""
"4346814","17.6806","0.0008","10.342","0.0005","21.4946","0.001","90","","108.965","0.002","90","","3717","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cl2 Ir N7 O2 -","- C32 H36 Cl2 Ir N7 O2 -","- C128 H144 Cl8 Ir4 N28 O8 -","4","1","","Pramanik, Shuvam; Roy, Sima; Ghorui, Tapas; Ganguly, Sanjib; Pramanik, Kausikisankar","Iridium(III) Mediated Reductive Transformation of Closed-Shell Azo-Oxime to Open-Shell Azo-Imine Radical Anion: Molecular and Electronic Structure, Electron Transfer, and Optoelectronic Properties.","Inorganic chemistry","2016","55","4","1461","1468","10.1021/acs.inorgchem.5b02185","","","0.71073","MoKα","","0.0704","0.0386","","","0.0803","0.0882","","","","","","0.971","","","","has coordinates,has disorder","231996","2020-10-21","18:00:00",""
"4346815","6.0663","0.0002","10.5287","0.0003","11.1541","0.0004","68.627","0.002","79.836","0.002","73.321","0.002","633.44","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cl2 Ir N6 -","- C26 H22 Cl2 Ir N6 -","- C26 H22 Cl2 Ir N6 -","1","0.5","","Pramanik, Shuvam; Roy, Sima; Ghorui, Tapas; Ganguly, Sanjib; Pramanik, Kausikisankar","Iridium(III) Mediated Reductive Transformation of Closed-Shell Azo-Oxime to Open-Shell Azo-Imine Radical Anion: Molecular and Electronic Structure, Electron Transfer, and Optoelectronic Properties.","Inorganic chemistry","2016","55","4","1461","1468","10.1021/acs.inorgchem.5b02185","","","0.71073","MoKα","","0.0374","0.035","","","0.0629","0.0643","","","","","","1.024","","","","has coordinates","231996","2020-10-21","18:00:00",""
"4346816","18.538","0.002","23.043","0.003","26.853","0.003","90","","106.012","0.005","90","","11026","2","100","2","100","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C9 H101 As2 Cs3 K N Na7 O111 Sb W19 -","- C9 H13 As2 Cs3.25 K0.875 N Na6 O93.75 Sb W19 -","- C36 H52 As8 Cs13 K3.5 N4 Na24 O375 Sb4 W76 -","4","1","","Yang, Peng; Lin, Zhengguo; Alfaro-Espinoza, Gabriela; Ullrich, Matthias S.; Raţ, Ciprian I; Silvestru, Cristian; Kortz, Ulrich","19-Tungstodiarsenate(III) Functionalized by Organoantimony(III) Groups: Tuning the Structure-Bioactivity Relationship.","Inorganic chemistry","2016","55","1","251","258","10.1021/acs.inorgchem.5b02189","","","0.71073","MoKα","","0.0555","0.0436","","","0.1244","0.1436","","","","","","1.06","","","","has coordinates","231997","2020-10-21","18:00:00",""
"4346817","14.816","0.005","20.578","0.007","24.911","0.007","102.645","0.014","93.51","0.013","95.638","0.017","7348","4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C9 H123 As3 K11.5 N O155 Rb2.5 Sb W29 -","- C9 H13 As3 K9.5 N O124 Rb3.25 Sb W29 -","- C18 H26 As6 K19 N2 O248 Rb6.5 Sb2 W58 -","2","1","","Yang, Peng; Lin, Zhengguo; Alfaro-Espinoza, Gabriela; Ullrich, Matthias S.; Raţ, Ciprian I; Silvestru, Cristian; Kortz, Ulrich","19-Tungstodiarsenate(III) Functionalized by Organoantimony(III) Groups: Tuning the Structure-Bioactivity Relationship.","Inorganic chemistry","2016","55","1","251","258","10.1021/acs.inorgchem.5b02189","","","0.71073","MoKα","","0.0656","0.0572","","","0.1657","0.1765","","","","","","1.007","","","","has coordinates","231998","2020-10-21","18:00:00",""
"4346818","14.5872","0.0015","15.7411","0.0017","24.766","0.003","79.206","0.006","80.71","0.005","77.719","0.005","5414.3","1.1","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C27 H77 As2 K5.5 N3 O86 Rb2.5 Sb2 W19 -","- C27 H39 As2 K4.5 N3 O86 Rb2 Sb2 W19 -","- C54 H78 As4 K9 N6 O172 Rb4 Sb4 W38 -","2","1","","Yang, Peng; Lin, Zhengguo; Alfaro-Espinoza, Gabriela; Ullrich, Matthias S.; Raţ, Ciprian I; Silvestru, Cristian; Kortz, Ulrich","19-Tungstodiarsenate(III) Functionalized by Organoantimony(III) Groups: Tuning the Structure-Bioactivity Relationship.","Inorganic chemistry","2016","55","1","251","258","10.1021/acs.inorgchem.5b02189","","","0.71073","MoKα","","0.0453","0.0357","","","0.1138","0.1409","","","","","","1.031","","","","has coordinates","231999","2020-10-21","18:00:00",""
"4346824","7.2349","0.0005","23.7112","0.0015","30.5299","0.0019","90","","90","","90","","5237.3","0.6","298","2","298","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C192 H160 Ag32 N32 O80 -","16","1","","Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di","Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.","Inorganic chemistry","2016","55","3","1096","1101","10.1021/acs.inorgchem.5b02200","","","0.71073","MoKα","","0.0415","0.0337","","","0.0779","0.0833","","","","","","1.06","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346825","7.2499","0.0006","23.7625","0.0017","30.735","0.002","90","","90","","90","","5294.9","0.7","263","2","263","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C192 H160 Ag32 N32 O80 -","16","1","","Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di","Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.","Inorganic chemistry","2016","55","3","1096","1101","10.1021/acs.inorgchem.5b02200","","","0.71073","MoKα","","0.0352","0.0289","","","0.0621","0.0658","","","","","","1.05","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346826","7.2127","0.0006","23.7652","0.0018","30.732","0.002","90","","90","","90","","5267.8","0.7","213","2","213","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C192 H160 Ag32 N32 O80 -","16","1","","Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di","Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.","Inorganic chemistry","2016","55","3","1096","1101","10.1021/acs.inorgchem.5b02200","","","0.71073","MoKα","","0.0304","0.0263","","","0.0692","0.0728","","","","","","0.997","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346827","7.1728","0.0005","23.7537","0.0017","30.701","0.002","90","","90","","90","","5230.9","0.6","163","2","163","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C192 H160 Ag32 N32 O80 -","16","1","","Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di","Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.","Inorganic chemistry","2016","55","3","1096","1101","10.1021/acs.inorgchem.5b02200","","","0.71073","MoKα","","0.0283","0.0251","","","0.0646","0.0674","","","","","","1.053","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346828","7.162","0.0005","23.7651","0.0015","30.7049","0.0019","90","","90","","90","","5226.1","0.6","148","2","148","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C192 H160 Ag32 N32 O80 -","16","1","","Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di","Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.","Inorganic chemistry","2016","55","3","1096","1101","10.1021/acs.inorgchem.5b02200","","","0.71073","MoKα","","0.0408","0.039","","","0.0803","0.0811","","","","","","1.323","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346829","14.2885","0.0014","23.823","0.002","30.749","0.003","90","","90","","90","","10466.8","1.7","133","2","133","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C384 H320 Ag64 N64 O160 -","32","4","","Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di","Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.","Inorganic chemistry","2016","55","3","1096","1101","10.1021/acs.inorgchem.5b02200","","","0.71073","MoKα","","0.1019","0.0978","","","0.2171","0.2189","","","","","","1.266","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346830","14.2624","0.0012","23.826","0.002","30.75","0.002","90","","90","","90","","10449.3","1.4","113","2","113","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C384 H320 Ag64 N64 O160 -","32","4","","Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di","Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.","Inorganic chemistry","2016","55","3","1096","1101","10.1021/acs.inorgchem.5b02200","","","0.71073","MoKα","","0.0892","0.086","","","0.1956","0.1969","","","","","","1.371","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346831","14.2327","0.0013","23.828","0.002","30.749","0.003","90","","90","","90","","10428.1","1.6","93","2","93","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C384 H320 Ag64 N64 O160 -","32","4","","Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di","Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.","Inorganic chemistry","2016","55","3","1096","1101","10.1021/acs.inorgchem.5b02200","","","0.71073","MoKα","","0.1024","0.0999","","","0.2261","0.2271","","","","","","1.32","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346832","10.377","0.002","29.722","0.006","10.547","0.002","90","","90.405","0.002","90","","3252.9","1.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Nidetu4Cl2","","","- C20 H48 Cl2 N8 Ni S4 -","- C20 H48 Cl2 N8 Ni S4 -","- C80 H192 Cl8 N32 Ni4 S16 -","4","1","","Alfurayj, Ibrahim A.; Young, Jr, Victor G; Jensen, Michael P.","Structural Characterization of Thermochromic and Spin Equilibria in Solid-State Ni(detu)4Cl2 (detu = N,N'-Diethylthiourea).","Inorganic chemistry","2016","55","4","1469","1479","10.1021/acs.inorgchem.5b02203","","","0.71073","MoKα","","0.0721","0.0612","","","0.1247","0.1281","","","","","","1.275","","","","has coordinates","232006","2020-10-21","18:00:00",""
"4346833","10.4078","0.0004","29.7627","0.0014","10.5579","0.0004","90","","90.308","0.003","90","","3270.4","0.2","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nidetu4Cl2_223K","","- C20 H48 Cl2 N8 Ni S4 -","- C20 H48 Cl2 N8 Ni S4 -","- C80 H192 Cl8 N32 Ni4 S16 -","4","1","","Alfurayj, Ibrahim A.; Young, Jr, Victor G; Jensen, Michael P.","Structural Characterization of Thermochromic and Spin Equilibria in Solid-State Ni(detu)4Cl2 (detu = N,N'-Diethylthiourea).","Inorganic chemistry","2016","55","4","1469","1479","10.1021/acs.inorgchem.5b02203","","","1.54178","CuKα","","0.1057","0.0768","","","0.1473","0.1614","","","","","","1.042","","","","has coordinates","232006","2020-10-21","18:00:00",""
"4346834","10.4776","0.0004","29.8608","0.0013","10.5521","0.0004","90","","90.203","0.003","90","","3301.4","0.2","253","2","253","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nidetu4Cl2_253K","","- C20 H48 Cl2 N8 Ni S4 -","- C20 H48 Cl2 N8 Ni S4 -","- C80 H192 Cl8 N32 Ni4 S16 -","4","1","","Alfurayj, Ibrahim A.; Young, Jr, Victor G; Jensen, Michael P.","Structural Characterization of Thermochromic and Spin Equilibria in Solid-State Ni(detu)4Cl2 (detu = N,N'-Diethylthiourea).","Inorganic chemistry","2016","55","4","1469","1479","10.1021/acs.inorgchem.5b02203","","","1.54178","CuKα","","0.157","0.1292","","","0.2708","0.2854","","","","","","1.112","","","","has coordinates","232006","2020-10-21","18:00:00",""
"4346835","10.5335","0.0004","29.915","0.0012","10.5757","0.0004","90","","90.171","0.002","90","","3332.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nidetu4Cl2_293K","","- C20 H48 Cl2 N8 Ni S4 -","- C20 H48 Cl2 N8 Ni S4 -","- C80 H192 Cl8 N32 Ni4 S16 -","4","1","","Alfurayj, Ibrahim A.; Young, Jr, Victor G; Jensen, Michael P.","Structural Characterization of Thermochromic and Spin Equilibria in Solid-State Ni(detu)4Cl2 (detu = N,N'-Diethylthiourea).","Inorganic chemistry","2016","55","4","1469","1479","10.1021/acs.inorgchem.5b02203","","","1.54178","CuKα","","0.1542","0.1223","","","0.2881","0.3071","","","","","","1.062","","","","has coordinates","232006","2020-10-21","18:00:00",""
"4346840","15.0609","0.0011","15.1516","0.0011","18.4813","0.0013","91.405","0.002","109.529","0.001","109.816","0.002","3693.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H101 Cl Mn2 N8 O5 -","- C84 H101 Cl Mn2 N8 O5 -","- C168 H202 Cl2 Mn4 N16 O10 -","2","1","","Sil, Debangsu; Bhowmik, Susovan; Khan, Firoz Shah Tuglak; Rath, Sankar Prasad","Experimental and Theoretical Investigation of a Series of Novel Dimanganese(III) μ-Hydroxo Bisporphyrins: Magneto-Structural Correlation and Effect of Metal Spin on Porphyrin Core Deformation.","Inorganic chemistry","2016","55","7","3239","3251","10.1021/acs.inorgchem.5b02226","","","0.71073","MoKα","","0.1288","0.0749","","","0.182","0.2316","","","","","","1.055","","","","has coordinates,has disorder","232008","2020-10-21","18:00:00",""
"4346841","14.656","0.005","15.833","0.005","23.555","0.005","96.246","0.005","106.556","0.005","113.735","0.005","4638","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C199 H231 B2 F8 Mn4 N16 O2 -","- C199 H231 B2 F8 Mn4 N16 O2 -","- C199 H231 B2 F8 Mn4 N16 O2 -","1","0.5","","Sil, Debangsu; Bhowmik, Susovan; Khan, Firoz Shah Tuglak; Rath, Sankar Prasad","Experimental and Theoretical Investigation of a Series of Novel Dimanganese(III) μ-Hydroxo Bisporphyrins: Magneto-Structural Correlation and Effect of Metal Spin on Porphyrin Core Deformation.","Inorganic chemistry","2016","55","7","3239","3251","10.1021/acs.inorgchem.5b02226","","","0.71069","MoKα","","0.1238","0.0881","","","0.2363","0.2788","","","","","","1.039","","","","has coordinates,has disorder","232009","2020-10-21","18:00:00",""
"4346842","14.9243","0.0011","27.767","0.002","19.276","0.0015","90","","105.733","0.002","90","","7688.8","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C86 H100 F6 Mn2 N8 O P -","- C86 H100 F6 Mn2 N8 O P -","- C344 H400 F24 Mn8 N32 O4 P4 -","4","1","","Sil, Debangsu; Bhowmik, Susovan; Khan, Firoz Shah Tuglak; Rath, Sankar Prasad","Experimental and Theoretical Investigation of a Series of Novel Dimanganese(III) μ-Hydroxo Bisporphyrins: Magneto-Structural Correlation and Effect of Metal Spin on Porphyrin Core Deformation.","Inorganic chemistry","2016","55","7","3239","3251","10.1021/acs.inorgchem.5b02226","","","0.71073","MoKα","","0.1387","0.0678","","","0.1487","0.1863","","","","","","1.001","","","","has coordinates","232010","2020-10-21","18:00:00",""
"4346843","14.84","0.005","14.997","0.005","19.268","0.005","87.856","0.005","74.193","0.005","71.326","0.005","3903","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C163 H189 I6 Mn4 N16 O2 -","- C163 H189 I6 Mn4 N16 O2 -","- C163 H189 I6 Mn4 N16 O2 -","1","0.5","","Sil, Debangsu; Bhowmik, Susovan; Khan, Firoz Shah Tuglak; Rath, Sankar Prasad","Experimental and Theoretical Investigation of a Series of Novel Dimanganese(III) μ-Hydroxo Bisporphyrins: Magneto-Structural Correlation and Effect of Metal Spin on Porphyrin Core Deformation.","Inorganic chemistry","2016","55","7","3239","3251","10.1021/acs.inorgchem.5b02226","","","0.71069","MoKα","","0.1695","0.0907","","","0.1738","0.2107","","","","","","1.038","","","","has coordinates,has disorder","232011","2020-10-21","18:00:00",""
"4346844","17.832","0.005","24.159","0.005","18.505","0.005","90","0.005","116.234","0.005","90","0.005","7151","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C75 H89 Cl2 F6 Mn2 N8 O Sb -","- C75 H89 Cl2 F6 Mn2 N8 O Sb -","- C300 H356 Cl8 F24 Mn8 N32 O4 Sb4 -","4","0.5","","Sil, Debangsu; Bhowmik, Susovan; Khan, Firoz Shah Tuglak; Rath, Sankar Prasad","Experimental and Theoretical Investigation of a Series of Novel Dimanganese(III) μ-Hydroxo Bisporphyrins: Magneto-Structural Correlation and Effect of Metal Spin on Porphyrin Core Deformation.","Inorganic chemistry","2016","55","7","3239","3251","10.1021/acs.inorgchem.5b02226","","","0.71069","MoKα","","0.1201","0.0728","","","0.1704","0.197","","","","","","1.031","","","","has coordinates,has disorder","232012","2020-10-21","18:00:00",""
"4346850","32.726","0.007","10.721","0.002","25.497","0.005","90","","114.88","0.03","90","","8116","3","150","2","150.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C62 H84 Cl2 Mn2 N12 O27 Pr2 -","- C62 H36 Cl2 Mn2 N12 O27 Pr2 -","- C248 H144 Cl8 Mn8 N48 O108 Pr8 -","4","1","","Yadav, Munendra; Bhunia, Asamanjoy; Jana, Salil K.; Roesky, Peter W.","Manganese- and Lanthanide-Based 1D Chiral Coordination Polymers as an Enantioselective Catalyst for Sulfoxidation.","Inorganic chemistry","2016","55","6","2701","2708","10.1021/acs.inorgchem.5b02234","","","0.71073","MoKα","","0.0778","0.0755","","","0.1896","0.1906","","","","","","1.255","","","","has coordinates,has disorder","232014","2020-10-21","18:00:00",""
"4346851","32.763","0.007","10.803","0.002","25.554","0.005","90","","114.82","0.03","90","","8209","3","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C62 H84 Cl2 Mn2 N12 Nd2 O27 -","- C62 H36 Cl2 Mn2 N12 Nd2 O27 -","- C248 H144 Cl8 Mn8 N48 Nd8 O108 -","4","1","","Yadav, Munendra; Bhunia, Asamanjoy; Jana, Salil K.; Roesky, Peter W.","Manganese- and Lanthanide-Based 1D Chiral Coordination Polymers as an Enantioselective Catalyst for Sulfoxidation.","Inorganic chemistry","2016","55","6","2701","2708","10.1021/acs.inorgchem.5b02234","","","0.71073","MoKα","","0.1353","0.082","","","0.16","0.1761","","","","","","0.977","","","","has coordinates,has disorder","232015","2020-10-21","18:00:00",""
"4346852","32.571","0.007","10.734","0.002","25.464","0.005","90","","114.71","0.03","90","","8087","3","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C62 H84 Cl2 Mn2 N12 O27 Sm2 -","- C62 H36 Cl2 Mn2 N12 O27 Sm2 -","- C248 H144 Cl8 Mn8 N48 O108 Sm8 -","4","1","","Yadav, Munendra; Bhunia, Asamanjoy; Jana, Salil K.; Roesky, Peter W.","Manganese- and Lanthanide-Based 1D Chiral Coordination Polymers as an Enantioselective Catalyst for Sulfoxidation.","Inorganic chemistry","2016","55","6","2701","2708","10.1021/acs.inorgchem.5b02234","","","0.71073","MoKα","","0.0992","0.098","","","0.2403","0.2409","","","","","","1.199","","","","has coordinates,has disorder","232016","2020-10-21","18:00:00",""
"4346853","32.393","0.007","10.749","0.002","25.39","0.005","90","","114.29","0.03","90","","8058","3","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C62 H84 Cl2 Gd2 Mn2 N12 O27 -","- C62 H36 Cl2 Gd2 Mn2 N12 O27 -","- C248 H144 Cl8 Gd8 Mn8 N48 O108 -","4","1","","Yadav, Munendra; Bhunia, Asamanjoy; Jana, Salil K.; Roesky, Peter W.","Manganese- and Lanthanide-Based 1D Chiral Coordination Polymers as an Enantioselective Catalyst for Sulfoxidation.","Inorganic chemistry","2016","55","6","2701","2708","10.1021/acs.inorgchem.5b02234","","","0.71073","MoKα","","0.074","0.0642","","","0.1703","0.1764","","","","","","1.049","","","","has coordinates,has disorder","232017","2020-10-21","18:00:00",""
"4346857","10.7776","0.0003","14.1725","0.0005","14.9765","0.0005","107.596","0.002","106.553","0.002","107.047","0.002","1901.6","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C45.29 H42.29 Fe3 Mn O6 -","- C45.297 H42.297 Fe3 Mn O6 -","- C90.594 H84.594 Fe6 Mn2 O12 -","2","1","","Buitendach, Blenerhassitt E.; Erasmus, Elizabeth; Landman, Marilé; Niemantsverdriet, J. W. Hans; Swarts, Jannie C.","Consequences of Electron-Density Manipulations on the X-ray Photoelectron Spectroscopic Properties of Ferrocenyl-β-diketonato Complexes of Manganese(III). Structure of [Mn(FcCOCHCOCH3)3].","Inorganic chemistry","2016","55","5","1992","2000","10.1021/acs.inorgchem.5b02250","","","0.71073","MoKα","","0.0795","0.0534","","","0.1138","0.1263","","","","","","1.024","","","","has coordinates","232023","2020-10-21","18:00:00",""
"4346859","26.869","0.0003","26.869","0.0003","26.869","0.0003","90","","90","","90","","19397.9","0.4","100","2","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","UiO-67-Me","","","- C96 H24 O32 Zr6 -","- C96 H24 O32 Zr6 -","- C384 H96 O128 Zr24 -","4","0.0208333","","Øien-Ødegaard, Sigurd; Bouchevreau, Boris; Hylland, Knut; Wu, Lianpao; Blom, Richard; Grande, Carlos; Olsbye, Unni; Tilset, Mats; Lillerud, Karl P.","UiO-67-type Metal-Organic Frameworks with Enhanced Water Stability and Methane Adsorption Capacity.","Inorganic chemistry","2016","55","5","1986","1991","10.1021/acs.inorgchem.5b02257","","x-ray","0.75","","","0.0215","0.021","","","0.0644","0.0647","","","","","","1.19","","","","has coordinates","232026","2020-10-21","18:00:00",""
"4346860","9.0298","0.0004","11.1665","0.0005","11.4109","0.0005","63.855","0.001","77.038","0.001","79.097","0.001","1001.15","0.08","100","2","100.03","","","","","","","","","4","P -1","-P 1","2","binaphthyl dicarboxylic acid","1,1'-binaphthyl-4,4'-dicarboxylic acid","","- C25 H21 N O5 -","- C25 H21 N O5 -","- C50 H42 N2 O10 -","2","1","","Øien-Ødegaard, Sigurd; Bouchevreau, Boris; Hylland, Knut; Wu, Lianpao; Blom, Richard; Grande, Carlos; Olsbye, Unni; Tilset, Mats; Lillerud, Karl P.","UiO-67-type Metal-Organic Frameworks with Enhanced Water Stability and Methane Adsorption Capacity.","Inorganic chemistry","2016","55","5","1986","1991","10.1021/acs.inorgchem.5b02257","","x-ray","0.71073","MoKα","","0.0594","0.0433","","","0.1097","0.1187","","","","","","1.028","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4346861","26.8167","0.0002","26.8167","0.0002","26.8167","0.0002","90","","90","","90","","19284.8","0.2","100","2","100","","","","","","","","","3","F m -3 m","-F 4 2 3","225","UiO-67-BN","","","- C114.85 O30.32 Zr6 -","- C114.84 O30.32 Zr6 -","- C459.36 O121.28 Zr24 -","4","0.0208333","","Øien-Ødegaard, Sigurd; Bouchevreau, Boris; Hylland, Knut; Wu, Lianpao; Blom, Richard; Grande, Carlos; Olsbye, Unni; Tilset, Mats; Lillerud, Karl P.","UiO-67-type Metal-Organic Frameworks with Enhanced Water Stability and Methane Adsorption Capacity.","Inorganic chemistry","2016","55","5","1986","1991","10.1021/acs.inorgchem.5b02257","","x-ray","0.76","synchrotron","","0.0312","0.0298","","","0.0844","0.0855","","","","","","1.09","","","","has coordinates,has disorder","232028","2020-10-21","18:00:00",""
"4346862","15.3346","0.0019","3.6746","0.0005","19.146","0.002","90","","104.991","0.007","90","","1042.1","0.2","100","2","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Biphenyl dicarboxylic acid","Biphenyl-4,4'-dicarboxylic acid","","- C14 H10 O4 -","- C14 H10 O4 -","- C56 H40 O16 -","4","0.5","","Øien-Ødegaard, Sigurd; Bouchevreau, Boris; Hylland, Knut; Wu, Lianpao; Blom, Richard; Grande, Carlos; Olsbye, Unni; Tilset, Mats; Lillerud, Karl P.","UiO-67-type Metal-Organic Frameworks with Enhanced Water Stability and Methane Adsorption Capacity.","Inorganic chemistry","2016","55","5","1986","1991","10.1021/acs.inorgchem.5b02257","","x-ray","0.76","synchrotron","","0.0446","0.0409","","","0.1213","0.1238","","","","","","1.084","","","","has coordinates","232029","2020-10-21","18:00:00",""
"4346863","26.8167","0.0002","26.8167","0.0002","26.8167","0.0002","90","","90","","90","","19284.8","0.2","100","2","100","","","","","","","","","3","F m -3 m","-F 4 2 3","225","UiO-67-BN","","","- C115.83 O33.41 Zr6 -","- C115.822 O33.3952 Zr6 -","- C463.286 O133.581 Zr24 -","4","0.0208333","","Øien-Ødegaard, Sigurd; Bouchevreau, Boris; Hylland, Knut; Wu, Lianpao; Blom, Richard; Grande, Carlos; Olsbye, Unni; Tilset, Mats; Lillerud, Karl P.","UiO-67-type Metal-Organic Frameworks with Enhanced Water Stability and Methane Adsorption Capacity.","Inorganic chemistry","2016","55","5","1986","1991","10.1021/acs.inorgchem.5b02257","","x-ray","0.76","synchrotron","","0.0338","0.0323","","","0.0952","0.0965","","","","","","1.179","","","","has coordinates,has disorder","232030","2020-10-21","18:00:00",""
"4346864","26.869","0.0003","26.869","0.0003","26.869","0.0003","90","","90","","90","","19397.9","0.4","100","2","100","","","","","","","","","3","F m -3 m","-F 4 2 3","225","UiO-67-Me","","","- C101.15 O48.63 Zr6 -","- C101.12 O48.64 Zr6 -","- C404.48 O194.56 Zr24 -","4","0.0208333","","Øien-Ødegaard, Sigurd; Bouchevreau, Boris; Hylland, Knut; Wu, Lianpao; Blom, Richard; Grande, Carlos; Olsbye, Unni; Tilset, Mats; Lillerud, Karl P.","UiO-67-type Metal-Organic Frameworks with Enhanced Water Stability and Methane Adsorption Capacity.","Inorganic chemistry","2016","55","5","1986","1991","10.1021/acs.inorgchem.5b02257","","x-ray","0.75","","","0.0354","0.0349","","","0.1507","0.1515","","","","","","1.171","","","","has coordinates","232031","2020-10-21","18:00:00",""
"4346874","11.1956","0.0003","11.3233","0.0004","15.2151","0.0005","69.214","0.003","76.756","0.003","77.381","0.003","1735.28","0.1","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H30 Cl2 N P Pt -","- C43 H30 Cl2 N P Pt -","- C86 H60 Cl4 N2 P2 Pt2 -","2","1","","Mendola, Daniele; Saleh, Nidal; Hellou, Nora; Vanthuyne, Nicolas; Roussel, Christian; Toupet, Loïc; Castiglione, Franca; Melone, Federica; Caronna, Tullio; Fontana, Francesca; Martí-Rujas, Javier; Parisini, Emilio; Malpezzi, Luciana; Mele, Andrea; Crassous, Jeanne","Synthesis and Structural Properties of Aza[n]helicene Platinum Complexes: Control of Cis and Trans Stereochemistry.","Inorganic chemistry","2016","55","5","2009","2017","10.1021/acs.inorgchem.5b02276","","","0.71073","MoKα","","0.0815","0.0428","","","0.074","0.0897","","","","","","0.864","","","","has coordinates","232034","2020-10-21","18:00:00",""
"4346875","50.798","0.003","15.1549","0.0008","17.5965","0.001","90","","95.369","0.004","90","","13487","1.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H28 Cl2 N P Pt -","- C39 H28 Cl2 N P Pt -","- C624 H448 Cl32 N16 P16 Pt16 -","16","2","","Mendola, Daniele; Saleh, Nidal; Hellou, Nora; Vanthuyne, Nicolas; Roussel, Christian; Toupet, Loïc; Castiglione, Franca; Melone, Federica; Caronna, Tullio; Fontana, Francesca; Martí-Rujas, Javier; Parisini, Emilio; Malpezzi, Luciana; Mele, Andrea; Crassous, Jeanne","Synthesis and Structural Properties of Aza[n]helicene Platinum Complexes: Control of Cis and Trans Stereochemistry.","Inorganic chemistry","2016","55","5","2009","2017","10.1021/acs.inorgchem.5b02276","","","1.54178","CuKα","","0.0962","0.0464","","","0.1068","0.1285","","","","","","1.011","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4346876","10.6352","0.0005","14.665","0.0009","14.7018","0.0008","61.388","0.006","69.548","0.005","79.328","0.005","1885.6","0.2","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Cl4 N P Pt -","- C44 H32 Cl4 N P Pt -","- C88 H64 Cl8 N2 P2 Pt2 -","2","1","","Mendola, Daniele; Saleh, Nidal; Hellou, Nora; Vanthuyne, Nicolas; Roussel, Christian; Toupet, Loïc; Castiglione, Franca; Melone, Federica; Caronna, Tullio; Fontana, Francesca; Martí-Rujas, Javier; Parisini, Emilio; Malpezzi, Luciana; Mele, Andrea; Crassous, Jeanne","Synthesis and Structural Properties of Aza[n]helicene Platinum Complexes: Control of Cis and Trans Stereochemistry.","Inorganic chemistry","2016","55","5","2009","2017","10.1021/acs.inorgchem.5b02276","","","0.71073","MoKα","","0.0814","0.0617","","","0.1498","0.1589","","","","","","0.997","","","","has coordinates","232036","2020-10-21","18:00:00",""
"4346877","9.0829","0.0002","13.2809","0.0003","28.1212","0.0006","90","","90","","90","","3392.23","0.13","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H30 Cl2 N P Pt -","- C43 H30 Cl2 N P Pt -","- C172 H120 Cl8 N4 P4 Pt4 -","4","1","","Mendola, Daniele; Saleh, Nidal; Hellou, Nora; Vanthuyne, Nicolas; Roussel, Christian; Toupet, Loïc; Castiglione, Franca; Melone, Federica; Caronna, Tullio; Fontana, Francesca; Martí-Rujas, Javier; Parisini, Emilio; Malpezzi, Luciana; Mele, Andrea; Crassous, Jeanne","Synthesis and Structural Properties of Aza[n]helicene Platinum Complexes: Control of Cis and Trans Stereochemistry.","Inorganic chemistry","2016","55","5","2009","2017","10.1021/acs.inorgchem.5b02276","","x-ray","0.71073","MoKα","","0.0232","0.0218","","","0.0465","0.0472","","","","","","1.047","","","","has coordinates","232037","2020-10-21","18:00:00",""
"4346878","11.729","0.005","12.493","0.005","13.546","0.005","63.717","0.005","72.489","0.005","76.041","0.005","1683.6","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.25 H28.5 Cl2.5 N P Pt -","- C39.25 H28.5 Cl2.5 N P Pt -","- C78.5 H57 Cl5 N2 P2 Pt2 -","2","1","","Mendola, Daniele; Saleh, Nidal; Hellou, Nora; Vanthuyne, Nicolas; Roussel, Christian; Toupet, Loïc; Castiglione, Franca; Melone, Federica; Caronna, Tullio; Fontana, Francesca; Martí-Rujas, Javier; Parisini, Emilio; Malpezzi, Luciana; Mele, Andrea; Crassous, Jeanne","Synthesis and Structural Properties of Aza[n]helicene Platinum Complexes: Control of Cis and Trans Stereochemistry.","Inorganic chemistry","2016","55","5","2009","2017","10.1021/acs.inorgchem.5b02276","","","1.54178","CuKα","","0.0768","0.0499","","","0.1186","0.1402","","","","","","1.054","","","","has coordinates","232038","2020-10-21","18:00:00",""
"4346879","40.424","0.006","40.424","0.006","14.838","0.003","90","","90","","90","","24247","7","300","","300","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H24 Cl2 Cu N6 O8.38 -","- C24 H24 Cl2 Cu N6 O8.375 -","- C768 H768 Cl64 Cu32 N192 O268 -","32","1","","Hall, Nikita; Orio, Maylis; Gennari, Marcello; Wills, Christopher; Molton, Florian; Philouze, Christian; Jameson, Geoffrey B.; Halcrow, Malcolm A.; Blackman, Allan G.; Duboc, Carole","Multifrequency cw-EPR and DFT Studies of an Apparent Compressed Octahedral Cu(II) Complex.","Inorganic chemistry","2016","55","4","1497","1504","10.1021/acs.inorgchem.5b02287","","x-ray","0.71073","MoKα","","0.097","0.0614","","","0.1646","0.2059","","","","","","1.06","","","","has coordinates,has disorder","232039","2020-10-21","18:00:00",""
"4346880","40.33","0.006","40.33","0.006","14.747","0.003","90","","90","","90","","23986","7","200","","200","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H24 Cl2 Cu N6 O8.38 -","- C24 H24 Cl2 Cu N6 O8.375 -","- C768 H768 Cl64 Cu32 N192 O268 -","32","1","","Hall, Nikita; Orio, Maylis; Gennari, Marcello; Wills, Christopher; Molton, Florian; Philouze, Christian; Jameson, Geoffrey B.; Halcrow, Malcolm A.; Blackman, Allan G.; Duboc, Carole","Multifrequency cw-EPR and DFT Studies of an Apparent Compressed Octahedral Cu(II) Complex.","Inorganic chemistry","2016","55","4","1497","1504","10.1021/acs.inorgchem.5b02287","","x-ray","0.71073","MoKα","","0.0933","0.0629","","","0.1639","0.202","","","","","","1.074","","","","has coordinates,has disorder","232040","2020-10-21","18:00:00",""
"4346881","22.674","0.005","14.38","0.003","18.106","0.004","90","","113.286","0.009","90","","5423","2","89","2","89","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H52 Cl4 N12 O18 Zn2 -","- C48 H52 Cl4 N12 O18 Zn2 -","- C192 H208 Cl16 N48 O72 Zn8 -","4","0.5","","Hall, Nikita; Orio, Maylis; Gennari, Marcello; Wills, Christopher; Molton, Florian; Philouze, Christian; Jameson, Geoffrey B.; Halcrow, Malcolm A.; Blackman, Allan G.; Duboc, Carole","Multifrequency cw-EPR and DFT Studies of an Apparent Compressed Octahedral Cu(II) Complex.","Inorganic chemistry","2016","55","4","1497","1504","10.1021/acs.inorgchem.5b02287","","","0.71073","MoKα","","0.0461","0.0419","","","0.1059","0.108","","","","","","1.148","","","","has coordinates,has disorder","232041","2020-10-21","18:00:00",""
"4346882","39.919","0.006","39.919","0.006","14.444","0.003","90","","90","","90","","23017","7","100","","100","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H24 Cl2 Cu N6 O8.38 -","- C24 H24 Cl2 Cu N6 O8.375 -","- C768 H768 Cl64 Cu32 N192 O268 -","32","1","","Hall, Nikita; Orio, Maylis; Gennari, Marcello; Wills, Christopher; Molton, Florian; Philouze, Christian; Jameson, Geoffrey B.; Halcrow, Malcolm A.; Blackman, Allan G.; Duboc, Carole","Multifrequency cw-EPR and DFT Studies of an Apparent Compressed Octahedral Cu(II) Complex.","Inorganic chemistry","2016","55","4","1497","1504","10.1021/acs.inorgchem.5b02287","","x-ray","0.71073","MoKα","","0.1199","0.076","","","0.1907","0.2464","","","","","","1.105","","","","has coordinates,has disorder","232042","2020-10-21","18:00:00",""
"4346883","22.39","0.0015","14.302","0.0011","18.244","0.0014","90","","112.878","0.004","90","","5382.6","0.7","89","2","89","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H52 Cl4 Cu2 N12 O18 -","- C48 H52 Cl4 Cu2 N12 O18 -","- C192 H208 Cl16 Cu8 N48 O72 -","4","0.5","","Hall, Nikita; Orio, Maylis; Gennari, Marcello; Wills, Christopher; Molton, Florian; Philouze, Christian; Jameson, Geoffrey B.; Halcrow, Malcolm A.; Blackman, Allan G.; Duboc, Carole","Multifrequency cw-EPR and DFT Studies of an Apparent Compressed Octahedral Cu(II) Complex.","Inorganic chemistry","2016","55","4","1497","1504","10.1021/acs.inorgchem.5b02287","","","0.71073","MoKα","","0.0714","0.0684","","","0.1829","0.1845","","","","","","1.174","","","","has coordinates","232043","2020-10-21","18:00:00",""
"4346884","16.185","0.005","14.081","0.004","12.616","0.004","90","","90","","90","","2875.2","1.5","89","2","89","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C14 H15 Br Cu0.5 N4 -","- C14 H15 Br Cu0.5 N4 -","- C112 H120 Br8 Cu4 N32 -","8","1","","Hall, Nikita; Orio, Maylis; Gennari, Marcello; Wills, Christopher; Molton, Florian; Philouze, Christian; Jameson, Geoffrey B.; Halcrow, Malcolm A.; Blackman, Allan G.; Duboc, Carole","Multifrequency cw-EPR and DFT Studies of an Apparent Compressed Octahedral Cu(II) Complex.","Inorganic chemistry","2016","55","4","1497","1504","10.1021/acs.inorgchem.5b02287","","","0.71069","MoKα","","0.0874","0.07","","","0.1292","0.1383","","","","","","1.076","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4346889","14.234","0.004","14.234","0.004","63.76","0.03","90","","90","","90","","12918","8","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C43 H29 N2 O23 Tb3 -","- C43 H19 N2 O23 Tb3 -","- C344 H152 N16 O184 Tb24 -","8","0.5","","Zhao, Jun; Wang, Ye-Nan; Dong, Wen-Wen; Wu, Ya-Pan; Li, Dong-Sheng; Zhang, Qi-Chun","A Robust Luminescent Tb(III)-MOF with Lewis Basic Pyridyl Sites for the Highly Sensitive Detection of Metal Ions and Small Molecules.","Inorganic chemistry","2016","55","7","3265","3271","10.1021/acs.inorgchem.5b02294","","","0.71073","MoKα","","0.071","0.0597","","","0.1466","0.1534","","","","","","1.075","","","","has coordinates","232046","2020-10-21","18:00:00",""
"4346890","13.0878","0.0004","17.967","0.0007","31.6685","0.0008","82.813","0.003","88.295","0.002","69.03","0.003","6898","0.4","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C167 H124 Cl4 N18 O3 Zn3 -","- C165 H120 N18 O3 Zn3 -","- C330 H240 N36 O6 Zn6 -","2","2","","Han, Zhen; Li, Li; Shi, Bo; Fang, Xianshi; Wang, Yong; Hu, Chuanjiang","Crystallographic and Spectroscopic Studies of a Host-Guest Complex Consisting of a Novel Zinc Trisporphyrinate and a Chiral Monoamine.","Inorganic chemistry","2016","55","8","3730","3737","10.1021/acs.inorgchem.5b02295","","","1.54178","CuKα","","0.0856","0.0711","","","0.1846","0.1999","","","","","","1.181","","","","has coordinates,has disorder","232047","2020-10-21","18:00:00",""
"4346892","11.4705","0.0004","13.3545","0.0004","15.2718","0.0005","65.532","0.002","71.858","0.002","73.126","0.002","1987.94","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H40 Cu4 I4 N2 O4 S4 -","- C26 H40 Cu4 I4 N2 O4 S4 -","- C52 H80 Cu8 I8 N4 O8 S8 -","2","1","","Kim, Seulgi; Siewe, Arlette Deukam; Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Ki-Min; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Ligand-Induced Formation of Copper(I) Iodide Clusters: Exocyclic Coordination Polymers with Bis-dithiamacrocycle Isomers.","Inorganic chemistry","2016","55","5","2018","2022","10.1021/acs.inorgchem.5b02314","","","0.71073","MoKα","","0.0331","0.0272","","","0.0625","0.0654","","","","","","1.036","","","","has coordinates","232049","2020-10-21","18:00:00",""
"4346893","8.5912","0.0006","11.1321","0.0008","19.9358","0.0015","76.169","0.005","79.828","0.005","68.587","0.005","1715.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H32 Cu4 I4 O4 S4 -","- C22 H32 Cu4 I4 O4 S4 -","- C44 H64 Cu8 I8 O8 S8 -","2","1","","Kim, Seulgi; Siewe, Arlette Deukam; Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Ki-Min; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Ligand-Induced Formation of Copper(I) Iodide Clusters: Exocyclic Coordination Polymers with Bis-dithiamacrocycle Isomers.","Inorganic chemistry","2016","55","5","2018","2022","10.1021/acs.inorgchem.5b02314","","","0.71073","MoKα","","0.1478","0.0752","","","0.1823","0.2209","","","","","","1.103","","","","has coordinates,has disorder","232049","2020-10-21","18:00:00",""
"4346894","8.4423","0.0004","18.6186","0.0009","9.4896","0.0004","90","","106.848","0.002","90","","1427.59","0.11","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C11 H17 Cu I O2 S2 -","- C11 H17 Cu I O2 S2 -","- C44 H68 Cu4 I4 O8 S8 -","4","0.5","","Kim, Seulgi; Siewe, Arlette Deukam; Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Ki-Min; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Ligand-Induced Formation of Copper(I) Iodide Clusters: Exocyclic Coordination Polymers with Bis-dithiamacrocycle Isomers.","Inorganic chemistry","2016","55","5","2018","2022","10.1021/acs.inorgchem.5b02314","","","0.71073","MoKα","","0.0276","0.0254","","","0.0622","0.0641","","","","","","1.074","","","","has coordinates","232049","2020-10-21","18:00:00",""
"4346896","13.0579","0.0006","14.6896","0.0007","15.3071","0.0007","91.966","0.002","98.829","0.002","111.382","0.002","2688.6","0.2","123","","123","","","","","","","","see text","7","P -1","-P 1","2","","","","- C56 H36 F18 Fe Mo2 N6 O2 -","- C56 H36 F18 Fe Mo2 N6 O2 -","- C112 H72 F36 Fe2 Mo4 N12 O4 -","2","1","","Cai, Xu-Min; Meister, Teresa K.; Pöthig, Alexander; Kühn, Fritz E","Filling a Gap: Electrochemical Property Comparison of the Completed Compound Series [Mo2(DArF)n(O2C-Fc)4-n] (DArF = N,N'-Diarylformamidinate; O2C-Fc = Ferrocenecarboxylate).","Inorganic chemistry","2016","55","2","858","864","10.1021/acs.inorgchem.5b02329","","x-ray","0.71073","MoKα","","0.0288","0.0255","","","0.0635","0.066","","","","","","1.039","","","","has coordinates,has disorder","232051","2020-10-21","18:00:00",""
"4346897","11.5238","0.0009","13.0164","0.0009","15.4293","0.0013","106.699","0.002","107.665","0.002","92.419","0.003","2090.9","0.3","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H42 Fe3 Mo2 N2 O8 -","- C48 H42 Fe3 Mo2 N2 O8 -","- C96 H84 Fe6 Mo4 N4 O16 -","2","1","","Cai, Xu-Min; Meister, Teresa K.; Pöthig, Alexander; Kühn, Fritz E","Filling a Gap: Electrochemical Property Comparison of the Completed Compound Series [Mo2(DArF)n(O2C-Fc)4-n] (DArF = N,N'-Diarylformamidinate; O2C-Fc = Ferrocenecarboxylate).","Inorganic chemistry","2016","55","2","858","864","10.1021/acs.inorgchem.5b02329","","x-ray","0.71073","MoKα","","0.0281","0.0253","","","0.062","0.0635","","","","","","1.1","","","","has coordinates,has disorder","232051","2020-10-21","18:00:00",""
"4346901","9.1291","0.0006","9.5884","0.0006","14.7554","0.001","100.388","0.001","99.27","0.001","114.467","0.001","1115.52","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Co2 N O10 -","- C17 H14 Co2 N O10 -","- C34 H28 Co4 N2 O20 -","2","1","","Yang, Qingxiang; Ren, ShuangShuang; Hao, Ying; Zhao, Qianqian; Chen, Zhijun; Zheng, Hegen","Cyclopentaneteracarboxylic Metal-Organic Frameworks: Tuning the Distance between Layers and Pore Structures with N-Ligands.","Inorganic chemistry","2016","55","10","4951","4957","10.1021/acs.inorgchem.5b02340","","","0.71073","MoKα","","0.0338","0.0292","","","0.0796","0.0814","","","","","","1.054","","","","has coordinates","232054","2020-10-21","18:00:00",""
"4346902","9.1461","0.0006","9.6587","0.0006","12.7617","0.0012","94.664","0.001","103.837","0.001","114.83","0.001","972.1","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 Co2 N O10 -","- C15 H13 Co2 N O10 -","- C30 H26 Co4 N2 O20 -","2","1","","Yang, Qingxiang; Ren, ShuangShuang; Hao, Ying; Zhao, Qianqian; Chen, Zhijun; Zheng, Hegen","Cyclopentaneteracarboxylic Metal-Organic Frameworks: Tuning the Distance between Layers and Pore Structures with N-Ligands.","Inorganic chemistry","2016","55","10","4951","4957","10.1021/acs.inorgchem.5b02340","","","0.71073","MoKα","","0.0315","0.0276","","","0.0723","0.0744","","","","","","1.077","","","","has coordinates","232055","2020-10-21","18:00:00",""
"4346903","9.0477","0.0002","9.7882","0.0002","11.3856","0.0003","88.044","0.001","78.641","0.001","65.886","0.001","901.09","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Co2 N O10 -","- C14 H12 Co2 N O10 -","- C28 H24 Co4 N2 O20 -","2","1","","Yang, Qingxiang; Ren, ShuangShuang; Hao, Ying; Zhao, Qianqian; Chen, Zhijun; Zheng, Hegen","Cyclopentaneteracarboxylic Metal-Organic Frameworks: Tuning the Distance between Layers and Pore Structures with N-Ligands.","Inorganic chemistry","2016","55","10","4951","4957","10.1021/acs.inorgchem.5b02340","","","0.71073","MoKα","","0.0486","0.0425","","","0.1096","0.1122","","","","","","1.011","","","","has coordinates","232056","2020-10-21","18:00:00",""
"4346904","9.1004","0.0004","9.3972","0.0004","14.9287","0.0006","82.088","0.001","85.458","0.001","65.335","0.001","1148.82","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13.5 Co2 N2 O10 -","- C15 H14 Co2 N2 O10 -","- C30 H28 Co4 N4 O20 -","2","1","","Yang, Qingxiang; Ren, ShuangShuang; Hao, Ying; Zhao, Qianqian; Chen, Zhijun; Zheng, Hegen","Cyclopentaneteracarboxylic Metal-Organic Frameworks: Tuning the Distance between Layers and Pore Structures with N-Ligands.","Inorganic chemistry","2016","55","10","4951","4957","10.1021/acs.inorgchem.5b02340","","","0.71073","MoKα","","0.0308","0.027","","","0.0687","0.0703","","","","","","1.067","","","","has coordinates","232057","2020-10-21","18:00:00",""
"4346905","9.0838","0.001","9.6157","0.0011","12.4252","0.0014","93.488","0.002","104.357","0.002","113.993","0.002","944.4","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Co4 N4 O25 -","- C28 H35 Co4 N4 O25 -","- C28 H35 Co4 N4 O25 -","1","0.5","","Yang, Qingxiang; Ren, ShuangShuang; Hao, Ying; Zhao, Qianqian; Chen, Zhijun; Zheng, Hegen","Cyclopentaneteracarboxylic Metal-Organic Frameworks: Tuning the Distance between Layers and Pore Structures with N-Ligands.","Inorganic chemistry","2016","55","10","4951","4957","10.1021/acs.inorgchem.5b02340","","","0.71073","MoKα","","0.0665","0.057","","","0.1683","0.1878","","","","","","1.049","","","","has coordinates","232058","2020-10-21","18:00:00",""
"4346912","30.2746","0.0007","23.7787","0.0006","33.6356","0.0008","90","","112.202","0.0011","90","","22418.7","1","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C144 Dy2 Fe Mn4 N13 O80 Si2 W18 -","- C144 Dy2 Fe Mn4 N13 O80 Si2 W18 -","- C576 Dy8 Fe4 Mn16 N52 O320 Si8 W72 -","4","0.5","","Sato, Rinta; Suzuki, Kosuke; Minato, Takuo; Yamaguchi, Kazuya; Mizuno, Noritaka","Sequential Synthesis of 3d-3d'-4f Heterometallic Heptanuclear Clusters in between Lacunary Polyoxometalates.","Inorganic chemistry","2016","55","5","2023","2029","10.1021/acs.inorgchem.5b02358","","","0.71069","MoKα","","0.1356","0.1067","","","0.2669","0.2822","","","","","","1.102","","","","has coordinates","232060","2020-10-21","18:00:00",""
"4346913","19.2687","0.0002","29.5016","0.0003","19.311","0.0002","90","","110.777","0.0009","90","","10263.6","0.19","123","2","123","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C124 Cl12 Cu4 Fe N7 O72 Si2 W18 -","- C124 Cl12 Cu4 Fe N7 O72 Si2 W18 -","- C248 Cl24 Cu8 Fe2 N14 O144 Si4 W36 -","2","0.5","","Sato, Rinta; Suzuki, Kosuke; Minato, Takuo; Yamaguchi, Kazuya; Mizuno, Noritaka","Sequential Synthesis of 3d-3d'-4f Heterometallic Heptanuclear Clusters in between Lacunary Polyoxometalates.","Inorganic chemistry","2016","55","5","2023","2029","10.1021/acs.inorgchem.5b02358","","","0.71069","MoKα","","0.1103","0.0909","","","0.2265","0.2404","","","","","","1.138","","","","has coordinates","232061","2020-10-21","18:00:00",""
"4346914","19.6894","0.0002","20.1629","0.0002","26.5399","0.0003","90","","100.56","","90","","10357.8","0.19","113","2","113","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C122 Cl12 Cu4 F24 Fe Gd2 N6 O78 Si2 W18 -","- C122 Cl12 Cu4 F24 Fe Gd2 N6 O78 Si2 W18 -","- C244 Cl24 Cu8 F48 Fe2 Gd4 N12 O156 Si4 W36 -","2","0.5","","Sato, Rinta; Suzuki, Kosuke; Minato, Takuo; Yamaguchi, Kazuya; Mizuno, Noritaka","Sequential Synthesis of 3d-3d'-4f Heterometallic Heptanuclear Clusters in between Lacunary Polyoxometalates.","Inorganic chemistry","2016","55","5","2023","2029","10.1021/acs.inorgchem.5b02358","","","0.71069","MoKα","","0.0641","0.0556","","","0.1588","0.1688","","","","","","1.011","","","","has coordinates,has disorder","232062","2020-10-21","18:00:00",""
"4346915","19.7403","0.0001","20.1328","0.0002","26.5264","0.0002","90","","100.694","0.0004","90","","10359.2","0.14","113","2","113","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C122 Cl12 Cu4 Dy2 F24 Fe N6 O80 Si2 W18 -","- C122 Cl12 Cu4 Dy2 F24 Fe N6 O80 Si2 W18 -","- C244 Cl24 Cu8 Dy4 F48 Fe2 N12 O160 Si4 W36 -","2","0.5","","Sato, Rinta; Suzuki, Kosuke; Minato, Takuo; Yamaguchi, Kazuya; Mizuno, Noritaka","Sequential Synthesis of 3d-3d'-4f Heterometallic Heptanuclear Clusters in between Lacunary Polyoxometalates.","Inorganic chemistry","2016","55","5","2023","2029","10.1021/acs.inorgchem.5b02358","","","0.71069","MoKα","","0.0627","0.0526","","","0.1373","0.1466","","","","","","1.013","","","","has coordinates","232063","2020-10-21","18:00:00",""
"4346916","30.3095","0.0005","23.785","0.0004","33.7132","0.0006","90","","112.54","0.0009","90","","22447.7","0.7","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C140 Fe Gd2 Mn4 N11 O82 Si2 W18 -","- C140 Fe Gd2 Mn4 N11 O82 Si2 W18 -","- C560 Fe4 Gd8 Mn16 N44 O328 Si8 W72 -","4","0.5","","Sato, Rinta; Suzuki, Kosuke; Minato, Takuo; Yamaguchi, Kazuya; Mizuno, Noritaka","Sequential Synthesis of 3d-3d'-4f Heterometallic Heptanuclear Clusters in between Lacunary Polyoxometalates.","Inorganic chemistry","2016","55","5","2023","2029","10.1021/acs.inorgchem.5b02358","","","0.71069","MoKα","","0.1337","0.1005","","","0.2872","0.3123","","","","","","1.071","","","","has coordinates","232064","2020-10-21","18:00:00",""
"4346917","13.0435","0.0007","18.702","0.001","27.3566","0.0019","90","","90","","90","","6673.4","0.7","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C63 H74 N2 O10 P4 Pt2 S2 -","- C63 H74 N2 O10 P4 Pt2 S2 -","- C252 H296 N8 O40 P16 Pt8 S8 -","4","1","","Yoshinari, Nobuto; Shimizu, Tsutomu; Nozaki, Koichi; Konno, Takumi","Methanol-Triggered Turn-On-Type Photoluminescence in L-Cysteinato Palladium(II) and Platinum(II) Complexes Supported by a Bis(diphenylphosphine) Ligand.","Inorganic chemistry","2016","55","5","2030","2036","10.1021/acs.inorgchem.5b02363","","","0.71075","MoKα","","0.0872","0.0668","","","0.1196","0.1249","","","","","","1.143","","","","has coordinates","232065","2020-10-21","18:00:00",""
"4346918","13.352","0.002","14.784","0.003","19.314","0.004","75.711","0.005","69.782","0.005","65.683","0.005","3235.8","1.1","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C30 H31 N O3 P2 Pt S -","- C30 H31 N O6 P2 Pt S -","- C120 H124 N4 O24 P8 Pt4 S4 -","4","4","","Yoshinari, Nobuto; Shimizu, Tsutomu; Nozaki, Koichi; Konno, Takumi","Methanol-Triggered Turn-On-Type Photoluminescence in L-Cysteinato Palladium(II) and Platinum(II) Complexes Supported by a Bis(diphenylphosphine) Ligand.","Inorganic chemistry","2016","55","5","2030","2036","10.1021/acs.inorgchem.5b02363","","","0.71075","MoKα","","0.0357","0.0304","","","0.0767","0.081","","","","","","1.007","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4346919","13.0894","0.0002","15.7129","0.0003","19.3044","0.0004","79.51","0.006","70.921","0.005","70.034","0.005","3515.65","0.18","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C120 H124 N4 O36 P8 Pt4 S4 -","- C120 H124 N4 O36 P8 Pt4 S4 -","- C120 H124 N4 O36 P8 Pt4 S4 -","1","1","","Yoshinari, Nobuto; Shimizu, Tsutomu; Nozaki, Koichi; Konno, Takumi","Methanol-Triggered Turn-On-Type Photoluminescence in L-Cysteinato Palladium(II) and Platinum(II) Complexes Supported by a Bis(diphenylphosphine) Ligand.","Inorganic chemistry","2016","55","5","2030","2036","10.1021/acs.inorgchem.5b02363","","","0.71075","MoKα","","0.0382","0.0324","","","0.0871","0.0908","","","","","","1.057","","","","has coordinates","232065","2020-10-21","18:00:00",""
"4346920","13.1259","0.0002","18.8248","0.0003","27.4833","0.0005","90","","90","","90","","6790.92","0.19","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31.5 H37 N O5 P2 Pd S -","- C31.5 H37 N O5 P2 Pd S -","- C252 H296 N8 O40 P16 Pd8 S8 -","8","2","","Yoshinari, Nobuto; Shimizu, Tsutomu; Nozaki, Koichi; Konno, Takumi","Methanol-Triggered Turn-On-Type Photoluminescence in L-Cysteinato Palladium(II) and Platinum(II) Complexes Supported by a Bis(diphenylphosphine) Ligand.","Inorganic chemistry","2016","55","5","2030","2036","10.1021/acs.inorgchem.5b02363","","","0.71075","MoKα","","0.0475","0.0433","","","0.1122","0.114","","","","","","1.109","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4346921","13.375","0.002","14.699","0.003","19.198","0.004","75.569","0.005","70.129","0.005","65.587","0.005","3206.1","1.1","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C30 H31 N O6 P2 Pd S -","- C30 H31 N O6 P2 Pd S -","- C120 H124 N4 O24 P8 Pd4 S4 -","4","4","","Yoshinari, Nobuto; Shimizu, Tsutomu; Nozaki, Koichi; Konno, Takumi","Methanol-Triggered Turn-On-Type Photoluminescence in L-Cysteinato Palladium(II) and Platinum(II) Complexes Supported by a Bis(diphenylphosphine) Ligand.","Inorganic chemistry","2016","55","5","2030","2036","10.1021/acs.inorgchem.5b02363","","","0.71075","MoKα","","0.0364","0.0322","","","0.0799","0.0827","","","","","","1.04","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4346922","13.1073","0.0008","15.7964","0.0008","19.3997","0.0008","79.292","0.006","71.117","0.005","69.573","0.005","3549.5","0.4","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C30 H31 N O9 P2 Pd S -","- C30 H31 N O9 P2 Pd S -","- C120 H124 N4 O36 P8 Pd4 S4 -","4","4","","Yoshinari, Nobuto; Shimizu, Tsutomu; Nozaki, Koichi; Konno, Takumi","Methanol-Triggered Turn-On-Type Photoluminescence in L-Cysteinato Palladium(II) and Platinum(II) Complexes Supported by a Bis(diphenylphosphine) Ligand.","Inorganic chemistry","2016","55","5","2030","2036","10.1021/acs.inorgchem.5b02363","","","0.71075","MoKα","","0.0394","0.0369","","","0.0998","0.1034","","","","","","1.018","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4346925","25.2485","0.0005","25.2485","0.0005","15.9652","0.0006","90","","90","","90","","10177.6","0.5","293","2","293","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","","- C112 H205 Gd17 O112 -","- C112 H205 Gd17 O112 -","- C224 H410 Gd34 O224 -","2","0.25","","Zhou, Yuan-Yuan; Geng, Bing; Zhang, Zhen-Wei; Guan, Qun; Lu, Jun-Ling; Bo, Qi-Bing","New Family of Octagonal-Prismatic Lanthanide Coordination Cages Assembled from Unique Ln17 Clusters and Simple Cliplike Dicarboxylate Ligands.","Inorganic chemistry","2016","55","5","2037","2047","10.1021/acs.inorgchem.5b02367","","","0.71073","MoKα","","0.0507","0.0388","","","0.09","0.0979","","","","","","0.934","","","","has coordinates,has disorder","232067","2020-10-21","18:00:00",""
"4346926","25.1752","0.0005","25.1752","0.0005","15.9129","0.0004","90","","90","","90","","10085.4","0.4","293","2","293","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","","- C112 H205 O112 Tb17 -","- C112 H205 O112 Tb17 -","- C224 H410 O224 Tb34 -","2","0.25","","Zhou, Yuan-Yuan; Geng, Bing; Zhang, Zhen-Wei; Guan, Qun; Lu, Jun-Ling; Bo, Qi-Bing","New Family of Octagonal-Prismatic Lanthanide Coordination Cages Assembled from Unique Ln17 Clusters and Simple Cliplike Dicarboxylate Ligands.","Inorganic chemistry","2016","55","5","2037","2047","10.1021/acs.inorgchem.5b02367","","","0.71073","MoKα","","0.0417","0.0348","","","0.087","0.0911","","","","","","1.08","","","","has coordinates,has disorder","232067","2020-10-21","18:00:00",""
"4346927","25.3946","0.0005","25.3946","0.0005","15.9393","0.0005","90","","90","","90","","10279","0.4","293","2","293","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","","- C112 H205 Dy17 O112 -","- C112 H205 Dy17 O112 -","- C224 H410 Dy34 O224 -","2","0.25","","Zhou, Yuan-Yuan; Geng, Bing; Zhang, Zhen-Wei; Guan, Qun; Lu, Jun-Ling; Bo, Qi-Bing","New Family of Octagonal-Prismatic Lanthanide Coordination Cages Assembled from Unique Ln17 Clusters and Simple Cliplike Dicarboxylate Ligands.","Inorganic chemistry","2016","55","5","2037","2047","10.1021/acs.inorgchem.5b02367","","","0.71","MoKα","","0.038","0.0336","","","0.0826","0.085","","","","","","1.072","","","","has coordinates,has disorder","232067","2020-10-21","18:00:00",""
"4346928","25.1018","0.0003","25.1018","0.0003","15.8777","0.0003","90","","90","","90","","10004.5","0.3","293","2","293","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","","- C112 H205 Ho17 O112 -","- C112 H205 Ho17 O112 -","- C224 H410 Ho34 O224 -","2","0.25","","Zhou, Yuan-Yuan; Geng, Bing; Zhang, Zhen-Wei; Guan, Qun; Lu, Jun-Ling; Bo, Qi-Bing","New Family of Octagonal-Prismatic Lanthanide Coordination Cages Assembled from Unique Ln17 Clusters and Simple Cliplike Dicarboxylate Ligands.","Inorganic chemistry","2016","55","5","2037","2047","10.1021/acs.inorgchem.5b02367","","","0.71073","MoKα","","0.036","0.0315","","","0.0742","0.077","","","","","","1.091","","","","has coordinates,has disorder","232067","2020-10-21","18:00:00",""
"4346929","25.1663","0.0008","25.1663","0.0008","15.8693","0.0009","90","","90","","90","","10050.7","0.7","293","2","293","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","","- C112 H205 Er17 O112 -","- C112 H205 Er17 O112 -","- C224 H410 Er34 O224 -","2","0.25","","Zhou, Yuan-Yuan; Geng, Bing; Zhang, Zhen-Wei; Guan, Qun; Lu, Jun-Ling; Bo, Qi-Bing","New Family of Octagonal-Prismatic Lanthanide Coordination Cages Assembled from Unique Ln17 Clusters and Simple Cliplike Dicarboxylate Ligands.","Inorganic chemistry","2016","55","5","2037","2047","10.1021/acs.inorgchem.5b02367","","","0.71073","MoKα","","0.0843","0.0684","","","0.1638","0.1792","","","","","","1.052","","","","has coordinates,has disorder","232067","2020-10-21","18:00:00",""
"4346930","11.3341","0.001","11.3341","0.001","27.482","0.002","90","","90","","120","","3057.4","0.4","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H16 Gd N3 O8 Zn -","- C20 H16 Gd N3 O8 Zn -","- C120 H96 Gd6 N18 O48 Zn6 -","6","0.5","","He, Xingxiang; Liu, Ying; Lv, Yun; Dong, Yayu; Hu, Gonghao; Zhou, Shuai; Xu, Yan","L- and D-[LnZn(IN)3(C2H4O2)]n (Ln = Eu, Sm, and Gd): Chiral Enantiomerically 3D 3d-4f Coordination Polymers Constructed by Interesting Butterfly-like Building Units and -[Ln-O-Zn]n- Helices.","Inorganic chemistry","2016","55","5","2048","2054","10.1021/acs.inorgchem.5b02372","","","0.71073","MoKα","","0.0408","0.0325","","","0.0622","0.064","","","","","","1.014","","","","has coordinates","232068","2020-10-21","18:00:00",""
"4346931","11.3407","0.0014","11.3407","0.0014","27.565","0.007","90","","90","","120","","3070.2","0.9","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H16 N3 O8 Sm Zn -","- C20 H16 N3 O8 Sm Zn -","- C120 H96 N18 O48 Sm6 Zn6 -","6","0.5","","He, Xingxiang; Liu, Ying; Lv, Yun; Dong, Yayu; Hu, Gonghao; Zhou, Shuai; Xu, Yan","L- and D-[LnZn(IN)3(C2H4O2)]n (Ln = Eu, Sm, and Gd): Chiral Enantiomerically 3D 3d-4f Coordination Polymers Constructed by Interesting Butterfly-like Building Units and -[Ln-O-Zn]n- Helices.","Inorganic chemistry","2016","55","5","2048","2054","10.1021/acs.inorgchem.5b02372","","","0.71073","MoKα","","0.0304","0.0249","","","0.0603","0.0626","","","","","","0.877","","","","has coordinates","232069","2020-10-21","18:00:00",""
"4346932","11.3308","0.0008","11.3308","0.0008","27.468","0.004","90","","90","","120","","3054.1","0.5","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H16 Gd N3 O8 Zn -","- C20 H16 Gd N3 O8 Zn -","- C120 H96 Gd6 N18 O48 Zn6 -","6","0.5","","He, Xingxiang; Liu, Ying; Lv, Yun; Dong, Yayu; Hu, Gonghao; Zhou, Shuai; Xu, Yan","L- and D-[LnZn(IN)3(C2H4O2)]n (Ln = Eu, Sm, and Gd): Chiral Enantiomerically 3D 3d-4f Coordination Polymers Constructed by Interesting Butterfly-like Building Units and -[Ln-O-Zn]n- Helices.","Inorganic chemistry","2016","55","5","2048","2054","10.1021/acs.inorgchem.5b02372","","","0.71073","MoKα","","0.0222","0.0207","","","0.0532","0.0537","","","","","","1.028","","","","has coordinates","232070","2020-10-21","18:00:00",""
"4346933","11.369","0.006","11.369","0.006","27.62","0.03","90","","90","","120","","3092","4","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H16 N3 O8 Sm Zn -","- C20 H16 N3 O8 Sm Zn -","- C120 H96 N18 O48 Sm6 Zn6 -","6","0.5","","He, Xingxiang; Liu, Ying; Lv, Yun; Dong, Yayu; Hu, Gonghao; Zhou, Shuai; Xu, Yan","L- and D-[LnZn(IN)3(C2H4O2)]n (Ln = Eu, Sm, and Gd): Chiral Enantiomerically 3D 3d-4f Coordination Polymers Constructed by Interesting Butterfly-like Building Units and -[Ln-O-Zn]n- Helices.","Inorganic chemistry","2016","55","5","2048","2054","10.1021/acs.inorgchem.5b02372","","","0.71073","MoKα","","0.0324","0.0256","","","0.0565","0.0581","","","","","","1.103","","","","has coordinates","232071","2020-10-21","18:00:00",""
"4346934","11.2797","0.0005","11.2797","0.0005","27.575","0.003","90","","90","","120","","3038.4","0.4","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H16 Eu N3 O8 Zn -","- C20 H16 Eu N3 O8 Zn -","- C120 H96 Eu6 N18 O48 Zn6 -","6","0.5","","He, Xingxiang; Liu, Ying; Lv, Yun; Dong, Yayu; Hu, Gonghao; Zhou, Shuai; Xu, Yan","L- and D-[LnZn(IN)3(C2H4O2)]n (Ln = Eu, Sm, and Gd): Chiral Enantiomerically 3D 3d-4f Coordination Polymers Constructed by Interesting Butterfly-like Building Units and -[Ln-O-Zn]n- Helices.","Inorganic chemistry","2016","55","5","2048","2054","10.1021/acs.inorgchem.5b02372","","","0.71073","MoKα","","0.0416","0.0352","","","0.0786","0.0807","","","","","","1.03","","","","has coordinates","232072","2020-10-21","18:00:00",""
"4346935","11.3355","0.0003","11.3355","0.0003","27.5239","0.0016","90","","90","","120","","3062.8","0.2","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H16 Eu N3 O8 Zn -","- C20 H16 Eu N3 O8 Zn -","- C120 H96 Eu6 N18 O48 Zn6 -","6","0.5","","He, Xingxiang; Liu, Ying; Lv, Yun; Dong, Yayu; Hu, Gonghao; Zhou, Shuai; Xu, Yan","L- and D-[LnZn(IN)3(C2H4O2)]n (Ln = Eu, Sm, and Gd): Chiral Enantiomerically 3D 3d-4f Coordination Polymers Constructed by Interesting Butterfly-like Building Units and -[Ln-O-Zn]n- Helices.","Inorganic chemistry","2016","55","5","2048","2054","10.1021/acs.inorgchem.5b02372","","","0.71073","MoKα","","0.0313","0.0271","","","0.06","0.0611","","","","","","1.048","","","","has coordinates","232073","2020-10-21","18:00:00",""
"4346939","14.7775","0.0002","19.6688","0.0003","21.2458","0.0003","83.4024","0.0014","88.8922","0.0012","73.4501","0.0014","5879.6","0.15","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C61 H85 Fe K N7 O7 -","- C61 H85 Fe K N7 O7 -","- C244 H340 Fe4 K4 N28 O28 -","4","2","","Kundakarla, Nagabhushanam; Lindeman, Sergey; Rahman, Md Hafiz; Ryan, Michael D.","X-ray Structure and Properties of the Ferrous Octaethylporphyrin Nitroxyl Complex.","Inorganic chemistry","2016","55","5","2070","2075","10.1021/acs.inorgchem.5b02384","","x-ray","1.54184","CuKα","","0.0797","0.0625","","","0.1502","0.161","","","","","","1.021","","","","has coordinates,has disorder","232075","2020-10-21","18:00:00",""
"4346940","8.5139","0.0012","11.7941","0.0018","21.89","0.003","99.438","0.002","90.21","0.002","104.926","0.003","2092.7","0.5","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H39 B2 F8 N7 O2 Ru -","- C45 H39 B2 F8 N7 O2 Ru -","- C90 H78 B4 F16 N14 O4 Ru2 -","2","1","","Kobayashi, Katsuaki; Ohtsu, Hideki; Nozaki, Koichi; Kitagawa, Susumu; Tanaka, Koji","Photochemical Properties and Reactivity of a Ru Compound Containing an NAD/NADH-Functionalized 1,10-Phenanthroline Ligand.","Inorganic chemistry","2016","55","5","2076","2084","10.1021/acs.inorgchem.5b02390","","","0.71075","MoKα","","0.075","0.0683","","","0.1779","0.1853","","","","","","1.086","","","","has coordinates","232076","2020-10-21","18:00:00",""
"4346941","11.429","0.002","13.097","0.003","15.101","0.003","99.556","0.002","98.4","0.003","100.187","0.003","2157.8","0.8","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H35 F12 N9 P2 Ru -","- C43 H35 F12 N9 P2 Ru -","- C86 H70 F24 N18 P4 Ru2 -","2","1","","Kobayashi, Katsuaki; Ohtsu, Hideki; Nozaki, Koichi; Kitagawa, Susumu; Tanaka, Koji","Photochemical Properties and Reactivity of a Ru Compound Containing an NAD/NADH-Functionalized 1,10-Phenanthroline Ligand.","Inorganic chemistry","2016","55","5","2076","2084","10.1021/acs.inorgchem.5b02390","","","0.71075","MoKα","","0.0519","0.0484","","","0.1228","0.1263","","","","","","1.066","","","","has coordinates,has disorder","232077","2020-10-21","18:00:00",""
"4346943","11.0598","0.0007","16.9292","0.0011","11.8567","0.0008","90","","100.879","0.008","90","","2180.1","0.3","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H43 Mo O11 P S4 -","- C41 H43 Mo O11 P S4 -","- C82 H86 Mo2 O22 P2 S8 -","2","1","","Sugimoto, Hideki; Sato, Masanori; Asano, Kaori; Suzuki, Takeyuki; Mieda, Kaoru; Ogura, Takashi; Matsumoto, Takashi; Giles, Logan J.; Pokhrel, Amrit; Kirk, Martin L.; Itoh, Shinobu","A Model for the Active-Site Formation Process in DMSO Reductase Family Molybdenum Enzymes Involving Oxido-Alcoholato and Oxido-Thiolato Molybdenum(VI) Core Structures.","Inorganic chemistry","2016","55","4","1542","1550","10.1021/acs.inorgchem.5b02395","","","1.54187","CuKα","","0.0827","0.0556","","","0.1233","0.1335","","","","","","0.93","","","","has coordinates,has disorder","275194","2022-05-07","02:54:03",""
"4346954","9.5168","0.0001","20.2596","0.0002","12.0263","0.0002","90","","108.697","0.001","90","","2196.38","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sm2(C3H3N4O2)4(NO3)2(C10N2H8)2","'Sm2(C3H3N4O2)4(NO3)2(C10N2)2'","","- C32 H28 N22 O14 Sm2 -","- C32 H28 N22 O14 Sm2 -","- C64 H56 N44 O28 Sm4 -","2","0.5","","Lu, Ying-Bing; Jiang, Xiao-Ming; Zhu, Shui-Dong; Du, Zi-Yi; Liu, Cai-Ming; Xie, Yong-Rong; Liu, Liang-Xian","Anion Effects on Lanthanide(III) Tetrazole-1-acetate Dinuclear Complexes Showing Slow Magnetic Relaxation and Photofluorescent Emission.","Inorganic chemistry","2016","55","8","3738","3749","10.1021/acs.inorgchem.5b02432","","","0.71073","MoKα","","0.0319","0.0255","","","0.0642","0.0683","","","","","","0.998","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4346955","9.5075","0.0002","20.2434","0.0004","12.0072","0.0002","90","","108.743","0.001","90","","2188.4","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Eu2(C3H3N4O2)4(NO3)2(C10N2H8)2","'Eu2(C3H3N4O2)4(NO3)2(C10N2)2'","","- C32 H28 Eu2 N22 O14 -","- C32 H28 Eu2 N22 O14 -","- C64 H56 Eu4 N44 O28 -","2","0.5","","Lu, Ying-Bing; Jiang, Xiao-Ming; Zhu, Shui-Dong; Du, Zi-Yi; Liu, Cai-Ming; Xie, Yong-Rong; Liu, Liang-Xian","Anion Effects on Lanthanide(III) Tetrazole-1-acetate Dinuclear Complexes Showing Slow Magnetic Relaxation and Photofluorescent Emission.","Inorganic chemistry","2016","55","8","3738","3749","10.1021/acs.inorgchem.5b02432","","","0.71073","MoKα","","0.0437","0.0301","","","0.0615","0.0665","","","","","","1.008","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4346956","9.5016","0.0002","20.2306","0.0004","11.9949","0.0002","90","","108.778","0.001","90","","2182.97","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Gd2(C3H3N4O2)4(NO3)2(C10N2H8)2","'Gd2(C3H3N4O2)4(NO3)2(C10N2)2'","","- C32 H28 Gd2 N22 O14 -","- C32 H28 Gd2 N22 O14 -","- C64 H56 Gd4 N44 O28 -","2","0.5","","Lu, Ying-Bing; Jiang, Xiao-Ming; Zhu, Shui-Dong; Du, Zi-Yi; Liu, Cai-Ming; Xie, Yong-Rong; Liu, Liang-Xian","Anion Effects on Lanthanide(III) Tetrazole-1-acetate Dinuclear Complexes Showing Slow Magnetic Relaxation and Photofluorescent Emission.","Inorganic chemistry","2016","55","8","3738","3749","10.1021/acs.inorgchem.5b02432","","","0.71073","MoKα","","0.0596","0.0368","","","0.0565","0.0636","","","","","","0.963","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4346957","9.4897","0.0002","20.1798","0.0005","11.9862","0.0003","90","","108.852","0.001","90","","2172.23","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tb2(C3H3N4O2)4(NO3)2(C10N2H8)2","'Tb2(C3H3N4O2)4(NO3)2(C10N2)2'","","- C32 H28 N22 O14 Tb2 -","- C32 H28 N22 O14 Tb2 -","- C64 H56 N44 O28 Tb4 -","2","0.5","","Lu, Ying-Bing; Jiang, Xiao-Ming; Zhu, Shui-Dong; Du, Zi-Yi; Liu, Cai-Ming; Xie, Yong-Rong; Liu, Liang-Xian","Anion Effects on Lanthanide(III) Tetrazole-1-acetate Dinuclear Complexes Showing Slow Magnetic Relaxation and Photofluorescent Emission.","Inorganic chemistry","2016","55","8","3738","3749","10.1021/acs.inorgchem.5b02432","","","0.71073","MoKα","","0.0516","0.0317","","","0.0593","0.0669","","","","","","0.985","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4346958","9.4838","0.0001","20.1532","0.0003","11.9787","0.0001","90","","108.879","0.001","90","","2166.31","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dy2(C3H3N4O2)4(NO3)2(C10N2H8)2","'Dy2(C3H3N4O2)4(NO3)2(C10N2H8)2'","","- C32 H28 Dy2 N22 O14 -","- C32 H28 Dy2 N22 O14 -","- C64 H56 Dy4 N44 O28 -","2","0.5","","Lu, Ying-Bing; Jiang, Xiao-Ming; Zhu, Shui-Dong; Du, Zi-Yi; Liu, Cai-Ming; Xie, Yong-Rong; Liu, Liang-Xian","Anion Effects on Lanthanide(III) Tetrazole-1-acetate Dinuclear Complexes Showing Slow Magnetic Relaxation and Photofluorescent Emission.","Inorganic chemistry","2016","55","8","3738","3749","10.1021/acs.inorgchem.5b02432","","","0.71073","MoKα","","0.0407","0.0271","","","0.0536","0.059","","","","","","1","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4346959","10.4937","0.0001","17.7318","0.0003","10.9384","0.0001","90","","95.051","0.001","90","","2027.43","0.04","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Dy(C3H3N4O2)4Cl2(C10N2H8)2","'Dy(C3H3N4O2)4Cl2(C10N2H8)2'","","- C32 H28 Cl2 Dy2 N20 O8 -","- C32 H28 Cl2 Dy2 N20 O8 -","- C64 H56 Cl4 Dy4 N40 O16 -","2","0.5","","Lu, Ying-Bing; Jiang, Xiao-Ming; Zhu, Shui-Dong; Du, Zi-Yi; Liu, Cai-Ming; Xie, Yong-Rong; Liu, Liang-Xian","Anion Effects on Lanthanide(III) Tetrazole-1-acetate Dinuclear Complexes Showing Slow Magnetic Relaxation and Photofluorescent Emission.","Inorganic chemistry","2016","55","8","3738","3749","10.1021/acs.inorgchem.5b02432","","","0.71073","MoKα","","0.0205","0.0185","","","0.0649","0.0674","","","","","","0.999","","","","has coordinates","232082","2020-10-21","18:00:00",""
"4346960","22.9885","0.0004","9.8856","0.0002","21.3011","0.0005","90","","115.452","0.002","90","","4370.96","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Yb2(C3H3N4O2)4(NO3)2(C10N2H8)2","'Yb2(C3H3N4O2)4(NO3)2(C10N2H8)2'","","- C32 H28 N22 O14 Yb2 -","- C32 H28 N22 O14 Yb2 -","- C128 H112 N88 O56 Yb8 -","4","0.5","","Lu, Ying-Bing; Jiang, Xiao-Ming; Zhu, Shui-Dong; Du, Zi-Yi; Liu, Cai-Ming; Xie, Yong-Rong; Liu, Liang-Xian","Anion Effects on Lanthanide(III) Tetrazole-1-acetate Dinuclear Complexes Showing Slow Magnetic Relaxation and Photofluorescent Emission.","Inorganic chemistry","2016","55","8","3738","3749","10.1021/acs.inorgchem.5b02432","","","0.71073","MoKα","","0.0338","0.0255","","","0.0542","0.0584","","","","","","0.997","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4346961","9.6685","0.0019","16.122","0.003","22.139","0.004","78.12","0.03","82.89","0.03","89.3","0.03","3350.7","1.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H30 B F2 N3 O6 W -","- C35 H30 B F2 N3 O6 W -","- C140 H120 B4 F8 N12 O24 W4 -","4","2","","Chu, Gong M.; Guerrero-Martínez, Andrés; Ramírez de Arellano, Carmen; Fernández, Israel; Sierra, Miguel A.","Remote Control by π-Conjugation of the Emissive Properties of Fischer Carbene-BODIPY Dyads.","Inorganic chemistry","2016","55","6","2737","2747","10.1021/acs.inorgchem.5b02448","","","0.71073","MoKα","","0.0263","0.0213","","","0.0623","0.0728","","","","","","1.172","","","","has coordinates","232083","2020-10-21","18:00:00",""
"4346962","23.356","0.0008","22.4995","0.0008","28.2725","0.0009","90","","99.633","0.0017","90","","14647.7","0.9","200","2","200","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C20 H210 Cu9 N5 Na12 O116.5 P10 Si W9 -","- C20 H45 Cu9 N5 Na11.5 O116.5 P10 Si W9 -","- C80 H180 Cu36 N20 Na46 O466 P40 Si4 W36 -","4","1","","Oms, Olivier; Yang, Shu; Salomon, William; Marrot, Jérôme; Dolbecq, Anne; Rivière, Eric; Bonnefont, Antoine; Ruhlmann, Laurent; Mialane, Pierre","Heteroanionic Materials Based on Copper Clusters, Bisphosphonates, and Polyoxometalates: Magnetic Properties and Comparative Electrocatalytic NO(x) Reduction Studies.","Inorganic chemistry","2016","55","4","1551","1561","10.1021/acs.inorgchem.5b02456","","","0.71073","MoKα","","0.1398","0.0827","","","0.189","0.2191","","","","","","1.072","","","","has coordinates","232084","2020-10-21","18:00:00",""
"4346963","22.384","0.003","32.34","0.004","34.221","0.004","75.951","0.004","78.016","0.005","78.695","0.005","23229","5","200","2","200","2","","","","","","","","11","P -1","-P 1","2","","","","- C48 H443 Cl Cu24 Li32 N12 Na5 O323.5 P24 Sb4 W36 -","- C48 H108 Cl Cu24 N12 Na3 O321.25 P24 Sb4 W36 -","- C96 H216 Cl2 Cu48 N24 Na6 O642.5 P48 Sb8 W72 -","2","1","","Oms, Olivier; Yang, Shu; Salomon, William; Marrot, Jérôme; Dolbecq, Anne; Rivière, Eric; Bonnefont, Antoine; Ruhlmann, Laurent; Mialane, Pierre","Heteroanionic Materials Based on Copper Clusters, Bisphosphonates, and Polyoxometalates: Magnetic Properties and Comparative Electrocatalytic NO(x) Reduction Studies.","Inorganic chemistry","2016","55","4","1551","1561","10.1021/acs.inorgchem.5b02456","","","0.71073","MoKα","","0.1257","0.0918","","","0.2469","0.2679","","","","","","1.031","","","","has coordinates","232084","2020-10-21","18:00:00",""
"4346964","32.256","0.003","28.454","0.003","27.131","0.002","90","","93.4","0.004","90","","24857","4","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Cu10 N4 Na10 O181 P12 W30 -","- C16 H36 Cu10 N4 Na10 O181 P12 W30 -","- C64 H144 Cu40 N16 Na40 O724 P48 W120 -","4","1","","Oms, Olivier; Yang, Shu; Salomon, William; Marrot, Jérôme; Dolbecq, Anne; Rivière, Eric; Bonnefont, Antoine; Ruhlmann, Laurent; Mialane, Pierre","Heteroanionic Materials Based on Copper Clusters, Bisphosphonates, and Polyoxometalates: Magnetic Properties and Comparative Electrocatalytic NO(x) Reduction Studies.","Inorganic chemistry","2016","55","4","1551","1561","10.1021/acs.inorgchem.5b02456","","","0.71073","MoKα","","0.1101","0.0806","","","0.2163","0.2422","","","","","","1.037","","","","has coordinates","232084","2020-10-21","18:00:00",""
"4346978","31.467","0.002","16.3441","0.0012","23.6397","0.0017","90","","90","","90","","12157.9","1.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C78 H112 N30 O36 Pd3 -","- C78 H72 N30 O16 Pd3 -","- C312 H288 N120 O64 Pd12 -","4","0.5","","Samanta, Dipak; Chowdhury, Aniket; Mukherjee, Partha Sarathi","Covalent Postassembly Modification and Water Adsorption of Pd3 Self-Assembled Trinuclear Barrels.","Inorganic chemistry","2016","55","4","1562","1568","10.1021/acs.inorgchem.5b02464","","","0.71073","MoKα","","0.1115","0.0904","","","0.2213","0.2341","","","","","","1.213","","","","has coordinates","232086","2020-10-21","18:00:00",""
"4346979","21.2928","0.0008","21.2928","0.0008","25.9195","0.0009","90","","90","","120","","10177.1","0.6","100","2","100","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C144 H242 N36 O82 Pd3 -","- C144 H114 N36 O18 Pd3 -","- C288 H228 N72 O36 Pd6 -","2","0.166667","","Samanta, Dipak; Chowdhury, Aniket; Mukherjee, Partha Sarathi","Covalent Postassembly Modification and Water Adsorption of Pd3 Self-Assembled Trinuclear Barrels.","Inorganic chemistry","2016","55","4","1562","1568","10.1021/acs.inorgchem.5b02464","","","0.71073","MoKα","","0.1293","0.1066","","","0.3301","0.3464","","","","","","1.372","","","","has coordinates","232086","2020-10-21","18:00:00",""
"4346980","10.7012","0.0014","10.7012","0.0014","20.408","0.003","90","","90","","90","","2337","0.6","120","2","120","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- C8 H4 Dy5 O22 -","- C8 H4 Dy5 O22 -","- C32 H16 Dy20 O88 -","4","0.25","","Biswas, Soumava; Mondal, Amit Kumar; Konar, Sanjit","Densely Packed Lanthanide Cubane Based 3D Metal-Organic Frameworks for Efficient Magnetic Refrigeration and Slow Magnetic Relaxation.","Inorganic chemistry","2016","55","5","2085","2090","10.1021/acs.inorgchem.5b02486","","","0.71073","MoKα","","0.0189","0.0187","","","0.0507","0.0508","","","","","","1.119","","","","has coordinates","232087","2020-10-21","18:00:00",""
"4346981","10.925","0.002","10.925","0.002","20.461","0.005","90","","90","","90","","2442.1","0.9","120","2","120","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- C8 H6 Gd5 O22 -","- C8 H6 Gd5 O22 -","- C32 H24 Gd20 O88 -","4","0.25","","Biswas, Soumava; Mondal, Amit Kumar; Konar, Sanjit","Densely Packed Lanthanide Cubane Based 3D Metal-Organic Frameworks for Efficient Magnetic Refrigeration and Slow Magnetic Relaxation.","Inorganic chemistry","2016","55","5","2085","2090","10.1021/acs.inorgchem.5b02486","","","0.71073","MoKα","","0.019","0.019","","","0.0461","0.0461","","","","","","1.1494","","","","has coordinates","232088","2020-10-21","18:00:00",""
"4346982","7.917","0.003","9.545","0.004","13.778","0.005","75.536","0.006","74.93","0.005","76.395","0.005","957.2","0.6","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C34 H33 N6 O Pt S8 -","- C34 H33 N6 O Pt S8 -","- C34 H33 N6 O Pt S8 -","1","1","","Attar, Salahuddin; Espa, Davide; Artizzu, Flavia; Mercuri, M. Laura; Serpe, Angela; Sessini, Elisa; Concas, Giorgio; Congiu, Francesco; Marchiò, Luciano; Deplano, Paola","A Platinum-Dithiolene Monoanionic Salt Exhibiting Multiproperties, Including Room-Temperature Proton-Dependent Solution Luminescence.","Inorganic chemistry","2016","55","11","5118","5126","10.1021/acs.inorgchem.5b02491","","","0.71073","MoKα","","0.062","0.0533","","","0.1351","0.1417","","","","","","1.01","","","","has coordinates","232089","2020-10-21","18:00:00",""
"4346983","9.2652","0.0004","12.1614","0.0006","18.5275","0.0008","98.082","0.004","91.505","0.003","106.332","0.004","1978.74","0.16","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 N Ni P2 Si2 -","- C42 H48 N Ni P2 Si2 -","- C84 H96 N2 Ni2 P4 Si4 -","2","1","","Lin, Weiquan; Bodenstein, Tilmann; Mereacre, Valeriu; Fink, Karin; Eichhöfer, Andreas","Field-Induced Slow Magnetic Relaxation in the Ni(I) Complexes [NiCl(PPh3)2]·C4H8O and [Ni(N(SiMe3)2)(PPh3)2].","Inorganic chemistry","2016","55","5","2091","2100","10.1021/acs.inorgchem.5b02497","","","0.71073","MoKα","","0.0345","0.0257","","","0.0653","0.0678","","","","","","1.02","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4346984","10.1391","0.0009","11.913","0.0006","17.539","0.0005","90","","102.792","0.004","90","","2065.9","0.2","150","1","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H48 B4 N2 O6 Sn -","- C36 H40 B4 N2 O6 Sn -","- C72 H80 B8 N4 O12 Sn2 -","2","1","","Mairychová, Barbora; Kityk, I. V.; Maciag, Artur; Bureš, Filip; Klikar, Milan; Růžička, Aleš; Dostál, Libor; Jambor, Roman","N→Sn-Coordinated Stannaoxidoborates Containing a SnB4O6 Unit.","Inorganic chemistry","2016","55","4","1587","1594","10.1021/acs.inorgchem.5b02505","","","0.71073","MoKα","","0.0371","0.0307","","","0.0639","0.0675","","","","","","1.088","","","","has coordinates","232091","2020-10-21","18:00:00",""
"4346985","14.082","0.001","15.027","0.0006","22.8241","0.0017","90","","90","","90","","4829.8","0.5","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H44 B4 Br4 N2 O6 Sn -","- C36 H36 B4 Br4 N2 O6 Sn -","- C144 H144 B16 Br16 N8 O24 Sn4 -","4","1","","Mairychová, Barbora; Kityk, I. V.; Maciag, Artur; Bureš, Filip; Klikar, Milan; Růžička, Aleš; Dostál, Libor; Jambor, Roman","N→Sn-Coordinated Stannaoxidoborates Containing a SnB4O6 Unit.","Inorganic chemistry","2016","55","4","1587","1594","10.1021/acs.inorgchem.5b02505","","","0.71073","MoKα","","0.0576","0.0389","","","0.0755","0.0855","","","","","","1.089","","","","has coordinates","232091","2020-10-21","18:00:00",""
"4346986","11.932","0.001","12.811","0.0004","18.6821","0.0014","98.795","0.004","95.177","0.005","114.518","0.005","2529.9","0.3","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C44 H32 B4 F24 N2 O6 Sn -","- C44 H32 B4 F24 N2 O6 Sn -","- C88 H64 B8 F48 N4 O12 Sn2 -","2","1","","Mairychová, Barbora; Kityk, I. V.; Maciag, Artur; Bureš, Filip; Klikar, Milan; Růžička, Aleš; Dostál, Libor; Jambor, Roman","N→Sn-Coordinated Stannaoxidoborates Containing a SnB4O6 Unit.","Inorganic chemistry","2016","55","4","1587","1594","10.1021/acs.inorgchem.5b02505","","","0.71073","MoKα","","0.078","0.0617","","","0.156","0.1694","","","","","","1.186","","","","has coordinates","232091","2020-10-21","18:00:00",""
"4346987","9.439","0.004","12.872","0.005","13.924","0.005","72.45","0.006","77.057","0.006","77.615","0.006","1552.2","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Ir N3 O3 -","- C28 H20 Ir N3 O3 -","- C56 H40 Ir2 N6 O6 -","2","1","","Yi, Seungjun; Kim, Jin-Hyoung; Cho, Yang-Jin; Lee, Jiwon; Choi, Tae-Sup; Cho, Dae Won; Pac, Chyongjin; Han, Won-Sik; Son, Ho-Jin; Kang, Sang Ook","Stable Blue Phosphorescence Iridium(III) Cyclometalated Complexes Prompted by Intramolecular Hydrogen Bond in Ancillary Ligand.","Inorganic chemistry","2016","55","7","3324","3331","10.1021/acs.inorgchem.5b02511","","","0.71073","MoKα","","0.0495","0.0428","","","0.113","0.1146","","","","","","1.02","","","","has coordinates","232092","2020-10-21","18:00:00",""
"4346988","9.277","0.004","24.613","0.011","25.517","0.011","90","","90","","90","","5826","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 Ir N3 O3 -","- C29 H22 Ir N3 O3 -","- C232 H176 Ir8 N24 O24 -","8","2","","Yi, Seungjun; Kim, Jin-Hyoung; Cho, Yang-Jin; Lee, Jiwon; Choi, Tae-Sup; Cho, Dae Won; Pac, Chyongjin; Han, Won-Sik; Son, Ho-Jin; Kang, Sang Ook","Stable Blue Phosphorescence Iridium(III) Cyclometalated Complexes Prompted by Intramolecular Hydrogen Bond in Ancillary Ligand.","Inorganic chemistry","2016","55","7","3324","3331","10.1021/acs.inorgchem.5b02511","","","0.71073","MoKα","","0.1075","0.0605","","","0.152","0.1744","","","","","","0.887","","","","has coordinates","232092","2020-10-21","18:00:00",""
"4346989","11.895","0.003","13.313","0.003","14.62","0.003","88.975","0.006","77.047","0.006","85.141","0.006","2248.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H35 Cl N8 O6 Ru -","- C43 H35 Cl N8 O6 Ru -","- C86 H70 Cl2 N16 O12 Ru2 -","2","1","","Mandal, Abhishek; Hoque, Md Asmaul; Grupp, Anita; Paretzki, Alexa; Kaim, Wolfgang; Lahiri, Goutam Kumar","Analysis of Redox Series of Unsymmetrical 1,4-Diamido-9,10-anthraquinone-Bridged Diruthenium Compounds.","Inorganic chemistry","2016","55","5","2146","2156","10.1021/acs.inorgchem.5b02541","","","0.7107","MoKα","","0.0458","0.0429","","","0.1103","0.1122","","","","","","1.1","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4346990","12.143","0.004","12.99","0.006","15.367","0.006","85.521","0.013","71.358","0.011","84.83","0.015","2284.3","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 Cl N6 O10 Ru2 -","- C44 H38 Cl N6 O10 Ru2 -","- C88 H76 Cl2 N12 O20 Ru4 -","2","1","","Mandal, Abhishek; Hoque, Md Asmaul; Grupp, Anita; Paretzki, Alexa; Kaim, Wolfgang; Lahiri, Goutam Kumar","Analysis of Redox Series of Unsymmetrical 1,4-Diamido-9,10-anthraquinone-Bridged Diruthenium Compounds.","Inorganic chemistry","2016","55","5","2146","2156","10.1021/acs.inorgchem.5b02541","","","0.7107","MoKα","","0.0645","0.0492","","","0.1219","0.141","","","","","","1.106","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4346991","16.335","0.003","22.032","0.004","20.936","0.004","90","","111.393","0.002","90","","7016","2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H26.5 Cl N6.25 O6.25 Ru -","- C35 H26.5 Cl N6.5 O6 Ru -","- C280 H212 Cl8 N52 O48 Ru8 -","8","4","","Mandal, Abhishek; Hoque, Md Asmaul; Grupp, Anita; Paretzki, Alexa; Kaim, Wolfgang; Lahiri, Goutam Kumar","Analysis of Redox Series of Unsymmetrical 1,4-Diamido-9,10-anthraquinone-Bridged Diruthenium Compounds.","Inorganic chemistry","2016","55","5","2146","2156","10.1021/acs.inorgchem.5b02541","","","0.7107","MoKα","","0.0765","0.068","","","0.1449","0.1522","","","","","","1.083","","","","has coordinates","232095","2020-10-21","18:00:00",""
"4346992","22.355","0.009","12.053","0.005","23.122","0.009","90","","93.75","0.006","90","","6217","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 Cl2 N12 O10 Ru2 -","- C56 H43 Cl2 N12 O10 Ru2 -","- C224 H172 Cl8 N48 O40 Ru8 -","4","1","","Mandal, Abhishek; Hoque, Md Asmaul; Grupp, Anita; Paretzki, Alexa; Kaim, Wolfgang; Lahiri, Goutam Kumar","Analysis of Redox Series of Unsymmetrical 1,4-Diamido-9,10-anthraquinone-Bridged Diruthenium Compounds.","Inorganic chemistry","2016","55","5","2146","2156","10.1021/acs.inorgchem.5b02541","","","0.7107","MoKα","","0.0889","0.0781","","","0.1716","0.1787","","","","","","1.146","","","","has coordinates,has disorder","232096","2020-10-21","18:00:00",""
"4346993","13.641","0.004","18.541","0.005","19.146","0.005","90","","99.522","0.003","90","","4776","2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H41 Cu F6 N3 O P3 -","- C51 H41 Cu F6 N3 O P3 -","- C204 H164 Cu4 F24 N12 O4 P12 -","4","1","","Wang, Zhiqiang; Zheng, Caijun; Wang, Weizhou; Xu, Chen; Ji, Baoming; Zhang, Xiaohong","Synthesis, Structure, and Photophysical Properties of Two Four-Coordinate Cu(I)-NHC Complexes with Efficient Delayed Fluorescence.","Inorganic chemistry","2016","55","5","2157","2164","10.1021/acs.inorgchem.5b02546","","","0.71073","MoKα","","0.1505","0.0706","","","0.1799","0.2333","","","","","","1.003","","","","has coordinates","232097","2020-10-21","18:00:00",""
"4346994","11.693","0.007","14.036","0.009","17.443","0.011","92.066","0.009","106.261","0.008","109.85","0.008","2558","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H45 Cu F6 N3 O P3 -","- C59 H45 Cu F6 N3 O P3 -","- C118 H90 Cu2 F12 N6 O2 P6 -","2","1","","Wang, Zhiqiang; Zheng, Caijun; Wang, Weizhou; Xu, Chen; Ji, Baoming; Zhang, Xiaohong","Synthesis, Structure, and Photophysical Properties of Two Four-Coordinate Cu(I)-NHC Complexes with Efficient Delayed Fluorescence.","Inorganic chemistry","2016","55","5","2157","2164","10.1021/acs.inorgchem.5b02546","","","0.71073","MoKα","","0.1064","0.0541","","","0.1044","0.1253","","","","","","0.996","","","","has coordinates","232097","2020-10-21","18:00:00",""
"4346995","20.163","0.013","10.257","0.007","17.948","0.012","90","","111.939","0.007","90","","3443","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Ag2 F12 N6 P2 -","- C30 H26 Ag2 F12 N6 P2 -","- C120 H104 Ag8 F48 N24 P8 -","4","0.5","","Wang, Zhiqiang; Zheng, Caijun; Wang, Weizhou; Xu, Chen; Ji, Baoming; Zhang, Xiaohong","Synthesis, Structure, and Photophysical Properties of Two Four-Coordinate Cu(I)-NHC Complexes with Efficient Delayed Fluorescence.","Inorganic chemistry","2016","55","5","2157","2164","10.1021/acs.inorgchem.5b02546","","","0.71073","MoKα","","0.0598","0.0411","","","0.0975","0.1099","","","","","","1.042","","","","has coordinates","232097","2020-10-21","18:00:00",""
"4346996","15.7258","0.0003","13.4205","0.0002","26.7709","0.0003","90","","92.426","0.001","90","","5644.88","0.15","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Cl F12 N5 O1.5 P2 Ru -","- C20 H21 Cl F12 N5 O1.5 P2 Ru -","- C160 H168 Cl8 F96 N40 O12 P16 Ru8 -","8","2","","Khadeeva, Liya; Kaszub, Wawrzyniec; Lorenc, Maciej; Malfant, Isabelle; Buron-Le Cointe, Marylise","Two-Step Photon Absorption Driving the Chemical Reaction in the Model Ruthenium Nitrosyl System [Ru(py)4Cl(NO)](PF6)2·(1)/2H2O.","Inorganic chemistry","2016","55","9","4117","4123","10.1021/acs.inorgchem.5b02572","","","0.71069","MoKα","","0.0847","0.0387","","","0.0622","0.0681","","","","","","0.795","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4346997","15.7599","0.0003","13.4123","0.0002","26.7927","0.0004","90","","92.576","0.001","90","","5657.62","0.16","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Cl F12 N5 O1.5 P2 Ru -","- C20 H21 Cl F12 N5 O1.5 P2 Ru -","- C160 H168 Cl8 F96 N40 O12 P16 Ru8 -","8","2","","Khadeeva, Liya; Kaszub, Wawrzyniec; Lorenc, Maciej; Malfant, Isabelle; Buron-Le Cointe, Marylise","Two-Step Photon Absorption Driving the Chemical Reaction in the Model Ruthenium Nitrosyl System [Ru(py)4Cl(NO)](PF6)2·(1)/2H2O.","Inorganic chemistry","2016","55","9","4117","4123","10.1021/acs.inorgchem.5b02572","","","0.71069","MoKα","","0.0803","0.0384","","","0.0594","0.0643","","","","","","0.786","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4346998","7.293","0.0015","9.006","0.0018","9.685","0.0019","113.14","0.03","100.38","0.03","100.33","0.03","552.9","0.3","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H16 Cl3 Cu N2 -","- C4 H16 Cl3 Cu N2 -","- C8 H32 Cl6 Cu2 N4 -","2","1","","Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried","Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role?","Inorganic chemistry","2016","55","8","3759","3766","10.1021/acs.inorgchem.5b02576","","","0.71073","MoKα","","0.0305","0.0253","","","0.0588","0.0607","","","","","","1.051","","","","has coordinates","232100","2020-10-21","18:00:00",""
"4346999","7.962","0.0016","11.483","0.002","11.325","0.002","90","","90","","90","","1035.4","0.3","190","2","190","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Cl2 Cu O2 S2 -","- C4 H12 Cl2 Cu O2 S2 -","- C16 H48 Cl8 Cu4 O8 S8 -","4","0.5","","Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried","Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role?","Inorganic chemistry","2016","55","8","3759","3766","10.1021/acs.inorgchem.5b02576","","","0.71073","MoKα","","0.0288","0.0229","","","0.0566","0.0588","","","","","","1.066","","","","has coordinates","232101","2020-10-21","18:00:00",""
"4347000","6.737","0.002","6.1293","0.0015","16.438","0.006","90","","105.91","0.03","90","","652.8","0.4","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Cl6 Cu3 N2 -","- C4 H6 Cl6 Cu3 N2 -","- C8 H12 Cl12 Cu6 N4 -","2","0.5","","Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried","Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role?","Inorganic chemistry","2016","55","8","3759","3766","10.1021/acs.inorgchem.5b02576","","","0.71073","MoKα","","0.0236","0.0209","","","0.0459","0.0467","","","","","","1.134","","","","has coordinates","232103","2020-10-21","18:00:00",""
"4347001","17.836","0.004","3.284","0.0007","9.593","0.0019","90","","93.88","0.03","90","","560.6","0.2","190","2","190","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C1.5 H5 Cl2 Cu O1.5 -","- C1.5 H5 Cl2 Cu O1.5 -","- C6 H20 Cl8 Cu4 O6 -","4","0.5","","Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried","Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role?","Inorganic chemistry","2016","55","8","3759","3766","10.1021/acs.inorgchem.5b02576","","","0.71073","MoKα","","0.0656","0.0469","","","0.0987","0.1101","","","","","","1.184","","","","has coordinates","232104","2020-10-21","18:00:00",""
"4347002","9.924","0.002","13.194","0.003","15.652","0.003","84.35","0.03","74.98","0.03","74.68","0.03","1908.1","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Cu4OCl6(THF)(urea)3]*3THF*1urea","","","- C20 H48 Cl6 Cu4 N8 O9 -","- C20 H48 Cl6 Cu4 N8 O9 -","- C40 H96 Cl12 Cu8 N16 O18 -","2","1","","Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried","Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role?","Inorganic chemistry","2016","55","8","3759","3766","10.1021/acs.inorgchem.5b02576","","","0.71073","MoKα","","0.0564","0.0332","","","0.0734","0.0796","","","","","","0.964","","","","has coordinates","232105","2020-10-21","18:00:00",""
"4347003","11.376","0.002","11.0267","0.0019","9.7439","0.0018","90","","91.499","0.01","90","","1221.9","0.4","100","2","100","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C16 H32 Cl6 Cu3 O4 -","- C16 H32 Cl6 Cu3 O4 -","- C32 H64 Cl12 Cu6 O8 -","2","0.5","","Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried","Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role?","Inorganic chemistry","2016","55","8","3759","3766","10.1021/acs.inorgchem.5b02576","","","0.71073","MoKα","","0.1012","0.0794","","","0.1764","0.1943","","","","","","1.133","","","","has coordinates,has disorder","232106","2020-10-21","18:00:00",""
"4347004","3.799","0.0008","7.908","0.0016","18.075","0.004","90","","89.94","0.03","90","","543","0.2","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound 2","","","- C4 H6 Cl4 Cu2 N2 -","- C4 H6 Cl4 Cu2 N2 -","- C8 H12 Cl8 Cu4 N4 -","2","0.5","","Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried","Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role?","Inorganic chemistry","2016","55","8","3759","3766","10.1021/acs.inorgchem.5b02576","","","0.71073","MoKα","","0.0959","0.0747","","","0.1936","0.2093","","","","","","1.041","","","","has coordinates","232107","2020-10-21","18:00:00",""
"4347005","13.6045","0.0005","18.3405","0.0007","13.6196","0.0005","90","","95.967","0.002","90","","3379.9","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H33 Cu N P3 -","- C43 H33 Cu N P3 -","- C172 H132 Cu4 N4 P12 -","4","1","","Chakkaradhari, Gomathy; Chen, Yi-Ting; Karttunen, Antti J.; Dau, Minh Thuy; Jänis, Janne; Tunik, Sergey P.; Chou, Pi-Tai; Ho, Mei-Lin; Koshevoy, Igor O.","Luminescent Triphosphine Cyanide d(10) Metal Complexes.","Inorganic chemistry","2016","55","5","2174","2184","10.1021/acs.inorgchem.5b02581","","","0.71073","MoKα","","0.0666","0.0384","","","0.0809","0.0897","","","","","","1.011","","","","has coordinates","232108","2020-10-21","18:00:00",""
"4347006","13.636","0.0009","18.5685","0.0011","13.7211","0.0009","90","","95.446","0.003","90","","3458.5","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H33 Ag N P3 -","- C43 H33 Ag N P3 -","- C172 H132 Ag4 N4 P12 -","4","1","","Chakkaradhari, Gomathy; Chen, Yi-Ting; Karttunen, Antti J.; Dau, Minh Thuy; Jänis, Janne; Tunik, Sergey P.; Chou, Pi-Tai; Ho, Mei-Lin; Koshevoy, Igor O.","Luminescent Triphosphine Cyanide d(10) Metal Complexes.","Inorganic chemistry","2016","55","5","2174","2184","10.1021/acs.inorgchem.5b02581","","","0.71073","MoKα","","0.0267","0.0213","","","0.0515","0.0545","","","","","","1.024","","","","has coordinates","232108","2020-10-21","18:00:00",""
"4347007","13.6772","0.0005","18.3326","0.0006","13.7369","0.0004","90","","95.96","0.002","90","","3425.8","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H33 Au N P3 -","- C43 H33 Au N P3 -","- C172 H132 Au4 N4 P12 -","4","1","","Chakkaradhari, Gomathy; Chen, Yi-Ting; Karttunen, Antti J.; Dau, Minh Thuy; Jänis, Janne; Tunik, Sergey P.; Chou, Pi-Tai; Ho, Mei-Lin; Koshevoy, Igor O.","Luminescent Triphosphine Cyanide d(10) Metal Complexes.","Inorganic chemistry","2016","55","5","2174","2184","10.1021/acs.inorgchem.5b02581","","","0.71073","MoKα","","0.0249","0.0185","","","0.0416","0.0437","","","","","","1.018","","","","has coordinates","232108","2020-10-21","18:00:00",""
"4347008","17.0857","0.0012","17.1852","0.0012","17.312","0.002","105.562","0.004","107.131","0.004","112.836","0.003","4032.4","0.7","120","2","120","2","","","","","","","","9","P 1","P 1","1","","","","- C175 H138 Cl6 Cu4 F6 N2 O6 P12 S2 -","- C175 H138 Cl6 Cu4 F6 N2 O6 P12 S2 -","- C175 H138 Cl6 Cu4 F6 N2 O6 P12 S2 -","1","1","","Chakkaradhari, Gomathy; Chen, Yi-Ting; Karttunen, Antti J.; Dau, Minh Thuy; Jänis, Janne; Tunik, Sergey P.; Chou, Pi-Tai; Ho, Mei-Lin; Koshevoy, Igor O.","Luminescent Triphosphine Cyanide d(10) Metal Complexes.","Inorganic chemistry","2016","55","5","2174","2184","10.1021/acs.inorgchem.5b02581","","","0.71073","MoKα","","0.0554","0.0437","","","0.1111","0.1168","","","","","","1.009","","","","has coordinates,has disorder","232108","2020-10-21","18:00:00",""
"4347009","29.6803","0.0014","29.5784","0.0014","38.912","0.002","90","","97.585","0.003","90","","33862","3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C85 H66 Ag2 B F4 N P6 -","- C85 H66 Ag2 B F4 N P6 -","- C1360 H1056 Ag32 B16 F64 N16 P96 -","16","2","","Chakkaradhari, Gomathy; Chen, Yi-Ting; Karttunen, Antti J.; Dau, Minh Thuy; Jänis, Janne; Tunik, Sergey P.; Chou, Pi-Tai; Ho, Mei-Lin; Koshevoy, Igor O.","Luminescent Triphosphine Cyanide d(10) Metal Complexes.","Inorganic chemistry","2016","55","5","2174","2184","10.1021/acs.inorgchem.5b02581","","","0.71073","MoKα","","0.1187","0.0987","","","0.2519","0.2652","","","","","","1.076","","","","has coordinates","232108","2020-10-21","18:00:00",""
"4347010","8.8166","0.0005","20.0524","0.0009","20.1719","0.0009","111.723","0.0013","94.2359","0.0014","93.0281","0.0014","3291.6","0.3","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H92 B2 Co0.8 F8 N6 O3.25 Zn0.2 -","- C64 H92 B2 Co0.8 F8 N6 O3.25 Zn0.2 -","- C128 H184 B4 Co1.6 F16 N12 O6.5 Zn0.4 -","2","1","","Ohtani, Ryo; Egawa, Saki; Nakaya, Manabu; Ohmagari, Hitomi; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Metal Dilution Effects on the Reverse Spin Transition in Mixed Crystals of Type [Co(1-x)Zn(x)(C16-terpy)2](BF4)2 (x = 0.1-0.7).","Inorganic chemistry","2016","55","7","3332","3337","10.1021/acs.inorgchem.5b02582","","","0.71075","MoKα","","0.093","0.068","","","0.1984","0.2151","","","","","","1.112","","","","has coordinates","232109","2020-10-21","18:00:00",""
"4347011","8.9929","0.0006","17.5868","0.0012","20.9347","0.0015","77.0947","0.0019","76.355","0.002","89.232","0.002","3133.5","0.4","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H84 B2 F8 N6 O3 Zn -","- C63 H84 B2 F8 N6 O3 Zn -","- C126 H168 B4 F16 N12 O6 Zn2 -","2","1","","Ohtani, Ryo; Egawa, Saki; Nakaya, Manabu; Ohmagari, Hitomi; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Metal Dilution Effects on the Reverse Spin Transition in Mixed Crystals of Type [Co(1-x)Zn(x)(C16-terpy)2](BF4)2 (x = 0.1-0.7).","Inorganic chemistry","2016","55","7","3332","3337","10.1021/acs.inorgchem.5b02582","","","0.71075","MoKα","","0.1071","0.07","","","0.1523","0.1702","","","","","","1.03","","","","has coordinates","232110","2020-10-21","18:00:00",""
"4347012","22.323","0.002","24.481","0.002","24.687","0.002","111.03","0.005","91.991","0.005","101.809","0.005","12239.3","1.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C45.5 H52 N9 O7.5 Zn2 -","- C45.5 H52 N9 O7.5 Zn2 -","- C364 H416 N72 O60 Zn16 -","8","4","","Mesquita, Lígia M; André, Vânia; Esteves, Catarina V.; Palmeira, Tiago; Berberan-Santos, Mário N; Mateus, Pedro; Delgado, Rita","Dinuclear Zinc(II) Macrocyclic Complex as Receptor for Selective Fluorescence Sensing of Pyrophosphate.","Inorganic chemistry","2016","55","5","2212","2219","10.1021/acs.inorgchem.5b02596","","","0.71069","MoKα","","0.1547","0.0786","","","0.2036","0.227","","","","","","0.874","","","","has coordinates","232111","2020-10-21","18:00:00",""
"4347013","15.241","0.003","16.224","0.001","16.494","0.001","112.344","0.003","110.278","0.005","94.082","0.004","3440.3","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","fac-Chlorotricarbonyl{2-(4'-bipyridyl)- 5,8,11,14,17-penta(tert-butyl)hexa-peri-hexabenzocoronene}rhenium(I)","","- C78 H67 Cl10 N2 O3 Re -","- C78 H67 Cl10 N2 O3 Re -","- C156 H134 Cl20 N4 O6 Re2 -","2","1","","Elliott, Anastasia B. S.; Horvath, Raphael; Sun, Xue-Zhong; Gardiner, Michael G.; Müllen, Klaus; Lucas, Nigel T.; George, Michael W.; Gordon, Keith C.","Long-Lived Charge Transfer Excited States in HBC-Polypyridyl Complex Hybrids.","Inorganic chemistry","2016","55","10","4710","4719","10.1021/acs.inorgchem.5b02602","","","0.7107","Synchrotron","","0.0651","0.0595","","","0.1523","0.1563","","","","","","1.029","","","","has coordinates","232112","2020-10-21","18:00:00",""
"4347014","13.7038","0.0001","15.2422","0.0001","17.1576","0.0002","90","","91.014","0.001","90","","3583.25","0.05","130.01","0.1","130.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 B Cl2 F4 Ir N6 O -","- C38 H32 B Cl2 F4 Ir N6 O -","- C152 H128 B4 Cl8 F16 Ir4 N24 O4 -","4","1","","Connell, Timothy U.; White, Jonathan M.; Smith, Trevor A.; Donnelly, Paul S.","Luminescent Iridium(III) Cyclometalated Complexes with 1,2,3-Triazole ""Click"" Ligands.","Inorganic chemistry","2016","55","6","2776","2790","10.1021/acs.inorgchem.5b02607","","x-ray","1.54184","CuKα","","0.026","0.0221","","","0.0554","0.0586","","","","","","1.057","","","","has coordinates","232113","2020-10-21","18:00:00",""
"4347015","12.766","0.0006","14.2197","0.0009","14.6535","0.0008","66.207","0.006","83.125","0.004","66.905","0.005","2236.5","0.3","130.01","0.1","130.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C39 H27 B Cl9 F8 Ir N6 -","- C39 H27 B Cl9 F8 Ir N6 -","- C78 H54 B2 Cl18 F16 Ir2 N12 -","2","1","","Connell, Timothy U.; White, Jonathan M.; Smith, Trevor A.; Donnelly, Paul S.","Luminescent Iridium(III) Cyclometalated Complexes with 1,2,3-Triazole ""Click"" Ligands.","Inorganic chemistry","2016","55","6","2776","2790","10.1021/acs.inorgchem.5b02607","","x-ray","1.54184","CuKα","","0.0588","0.0467","","","0.1027","0.1094","","","","","","0.988","","","","has coordinates,has disorder","232114","2020-10-21","18:00:00",""
"4347016","12.7547","0.0002","19.0611","0.0002","14.2521","0.0002","90","","99.237","0.001","90","","3420.02","0.08","130","0.1","130.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 F6 Ir N7 O2 P -","- C36 H27 F6 Ir N7 O2 P -","- C144 H108 F24 Ir4 N28 O8 P4 -","4","1","","Connell, Timothy U.; White, Jonathan M.; Smith, Trevor A.; Donnelly, Paul S.","Luminescent Iridium(III) Cyclometalated Complexes with 1,2,3-Triazole ""Click"" Ligands.","Inorganic chemistry","2016","55","6","2776","2790","10.1021/acs.inorgchem.5b02607","","","0.7107","MoKα","","0.0479","0.0303","","","0.058","0.0654","","","","","","1.041","","","","has coordinates","232115","2020-10-21","18:00:00",""
"4347017","14.3335","0.0002","14.0572","0.0001","21.5094","0.0003","90","","105.679","0.001","90","","4172.64","0.09","130","0.1","130","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H35 Cl3 F6 Ir N6 P -","- C45.5 H35 Cl3 F6 Ir N6 P -","- C182 H140 Cl12 F24 Ir4 N24 P4 -","4","1","","Connell, Timothy U.; White, Jonathan M.; Smith, Trevor A.; Donnelly, Paul S.","Luminescent Iridium(III) Cyclometalated Complexes with 1,2,3-Triazole ""Click"" Ligands.","Inorganic chemistry","2016","55","6","2776","2790","10.1021/acs.inorgchem.5b02607","","x-ray","1.54184","CuKα","","0.0399","0.0363","","","0.099","0.1028","","","","","","1.026","","","","has coordinates","232116","2020-10-21","18:00:00",""
"4347018","9.6232","0.0001","17.0053","0.0002","22.3048","0.0003","90","","90.591","0.001","90","","3649.88","0.08","130","0.1","130","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 B F4 Ir N6 -","- C44 H32 B F4 Ir N6 -","- C176 H128 B4 F16 Ir4 N24 -","4","1","","Connell, Timothy U.; White, Jonathan M.; Smith, Trevor A.; Donnelly, Paul S.","Luminescent Iridium(III) Cyclometalated Complexes with 1,2,3-Triazole ""Click"" Ligands.","Inorganic chemistry","2016","55","6","2776","2790","10.1021/acs.inorgchem.5b02607","","","0.7107","MoKα","","0.0435","0.0289","","","0.0576","0.0623","","","","","","1.051","","","","has coordinates","232117","2020-10-21","18:00:00",""
"4347019","9.6124","0.0006","12.6634","0.0013","41.715","0.003","90","","93.43","0.005","90","","5068.7","0.7","130.01","0.1","130.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H50 B Cl2 Ir N6 -","- C61 H50 B Cl2 Ir N6 -","- C244 H200 B4 Cl8 Ir4 N24 -","4","1","","Connell, Timothy U.; White, Jonathan M.; Smith, Trevor A.; Donnelly, Paul S.","Luminescent Iridium(III) Cyclometalated Complexes with 1,2,3-Triazole ""Click"" Ligands.","Inorganic chemistry","2016","55","6","2776","2790","10.1021/acs.inorgchem.5b02607","","","1.5418","CuKα","","0.1306","0.0779","","","0.1708","0.2035","","","","","","1.052","","","","has coordinates","232118","2020-10-21","18:00:00",""
"4347020","8.838","0.003","18.252","0.007","18.672","0.007","90","","99.33","0.02","90","","2972.2","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 Cl2 N6 O12 -","- C26 H38 Cl2 N6 O12 -","- C104 H152 Cl8 N24 O48 -","4","1","","Rodríguez-Rodríguez, Aurora; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Tripier, Raphaël; Tircsó, Gyula; Kálmán, Ferenc Krisztián; Bényei, Attila Csaba; Tóth, Imre; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos","Complexation of Ln(3+) Ions with Cyclam Dipicolinates: A Small Bridge that Makes Huge Differences in Structure, Equilibrium, and Kinetic Properties.","Inorganic chemistry","2016","55","5","2227","2239","10.1021/acs.inorgchem.5b02627","","x-ray","0.71073","MoKα","","0.1595","0.0797","","","0.1686","0.2086","","","","","","1.003","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347021","17.7491","0.0005","15.1219","0.0004","12.1887","0.0003","90","","103.785","0.001","90","","3177.22","0.15","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H48 Cl Lu N6 O10 -","- C26 H48 Cl Lu N6 O10 -","- C104 H192 Cl4 Lu4 N24 O40 -","4","0.5","","Rodríguez-Rodríguez, Aurora; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Tripier, Raphaël; Tircsó, Gyula; Kálmán, Ferenc Krisztián; Bényei, Attila Csaba; Tóth, Imre; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos","Complexation of Ln(3+) Ions with Cyclam Dipicolinates: A Small Bridge that Makes Huge Differences in Structure, Equilibrium, and Kinetic Properties.","Inorganic chemistry","2016","55","5","2227","2239","10.1021/acs.inorgchem.5b02627","","x-ray","0.71073","MoKα","","0.0149","0.0141","","","0.0369","0.0374","","","","","","1.055","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347022","13.5447","0.0006","16.3852","0.0006","14.1598","0.0006","90","","102.195","0.002","90","","3071.6","0.2","100","0.2","100","0.2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H44 Cl La N6 O9 -","- C26 H44 Cl La N6 O9 -","- C104 H176 Cl4 La4 N24 O36 -","4","0.5","","Rodríguez-Rodríguez, Aurora; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Tripier, Raphaël; Tircsó, Gyula; Kálmán, Ferenc Krisztián; Bényei, Attila Csaba; Tóth, Imre; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos","Complexation of Ln(3+) Ions with Cyclam Dipicolinates: A Small Bridge that Makes Huge Differences in Structure, Equilibrium, and Kinetic Properties.","Inorganic chemistry","2016","55","5","2227","2239","10.1021/acs.inorgchem.5b02627","","x-ray","0.71073","MoKα","","0.0265","0.023","","","0.0513","0.0528","","","","","","1.056","","","","has coordinates","232119","2020-10-21","18:00:00",""
"4347023","13.9271","0.0008","21.5806","0.0012","41.373","0.002","90","","90","","90","","12434.9","1.2","100","2","100","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C52 H78 F12 Gd2 N12 O13 P2 -","- C52 H78 F12 Gd2 N12 O13 P2 -","- C416 H624 F96 Gd16 N96 O104 P16 -","8","1","","Rodríguez-Rodríguez, Aurora; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Tripier, Raphaël; Tircsó, Gyula; Kálmán, Ferenc Krisztián; Bényei, Attila Csaba; Tóth, Imre; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos","Complexation of Ln(3+) Ions with Cyclam Dipicolinates: A Small Bridge that Makes Huge Differences in Structure, Equilibrium, and Kinetic Properties.","Inorganic chemistry","2016","55","5","2227","2239","10.1021/acs.inorgchem.5b02627","","x-ray","0.71073","MoKα","","0.0869","0.0468","","","0.0887","0.1035","","","","","","1.026","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347024","15.272","0.0008","25.666","0.0013","19.573","0.001","90","","111.425","0.003","90","","7141.9","0.7","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H92 F18 La N12 O16 P3 -","- C52 H92 F18 La N12 O16 P3 -","- C208 H368 F72 La4 N48 O64 P12 -","4","1","","Rodríguez-Rodríguez, Aurora; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Tripier, Raphaël; Tircsó, Gyula; Kálmán, Ferenc Krisztián; Bényei, Attila Csaba; Tóth, Imre; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos","Complexation of Ln(3+) Ions with Cyclam Dipicolinates: A Small Bridge that Makes Huge Differences in Structure, Equilibrium, and Kinetic Properties.","Inorganic chemistry","2016","55","5","2227","2239","10.1021/acs.inorgchem.5b02627","","x-ray","0.71073","MoKα","","0.093","0.0531","","","0.1121","0.1309","","","","","","1.032","","","","has coordinates","232119","2020-10-21","18:00:00",""
"4347025","10.7944","0.0004","11.6488","0.0004","28.2797","0.0012","85.196","0.002","87.336","0.003","74.556","0.002","3414.4","0.2","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C52 H84 F18 N12 O12 P3 Yb -","- C52 H84 F18 N12 O12 P3 Yb -","- C104 H168 F36 N24 O24 P6 Yb2 -","2","1","","Rodríguez-Rodríguez, Aurora; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Tripier, Raphaël; Tircsó, Gyula; Kálmán, Ferenc Krisztián; Bényei, Attila Csaba; Tóth, Imre; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos","Complexation of Ln(3+) Ions with Cyclam Dipicolinates: A Small Bridge that Makes Huge Differences in Structure, Equilibrium, and Kinetic Properties.","Inorganic chemistry","2016","55","5","2227","2239","10.1021/acs.inorgchem.5b02627","","x-ray","0.71073","MoKα","","0.0489","0.0366","","","0.0758","0.0809","","","","","","1.038","","","","has coordinates","232119","2020-10-21","18:00:00",""
"4347026","16.036","0.0004","16.4812","0.0004","22.7258","0.0006","90","","107.432","0.002","90","","5730.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H80 Cl Gd N12 O13 -","- C52 H80 Cl Gd N12 O13 -","- C208 H320 Cl4 Gd4 N48 O52 -","4","1","","Rodríguez-Rodríguez, Aurora; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Tripier, Raphaël; Tircsó, Gyula; Kálmán, Ferenc Krisztián; Bényei, Attila Csaba; Tóth, Imre; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos","Complexation of Ln(3+) Ions with Cyclam Dipicolinates: A Small Bridge that Makes Huge Differences in Structure, Equilibrium, and Kinetic Properties.","Inorganic chemistry","2016","55","5","2227","2239","10.1021/acs.inorgchem.5b02627","","x-ray","0.71073","MoKα","","0.0728","0.0382","","","0.0812","0.0933","","","","","","1.037","","","","has coordinates,has disorder","232119","2020-10-21","18:00:00",""
"4347027","11.267","0.003","16.845","0.004","17.434","0.004","90","","104.795","0.004","90","","3199.1","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 Au Cl O P2 -","- C31 H48 Au Cl O P2 -","- C124 H192 Au4 Cl4 O4 P8 -","4","1","","Hu, Ji-Yun; Zhang, Jing; Wang, Gao-Xiang; Sun, Hao-Ling; Zhang, Jun-Long","Constructing a Catalytic Cycle for C-F to C-X (X = O, S, N) Bond Transformation Based on Gold-Mediated Ligand Nucleophilic Attack.","Inorganic chemistry","2016","55","5","2274","2283","10.1021/acs.inorgchem.5b02634","","","0.71073","MoKα","","0.0479","0.0341","","","0.0788","0.0846","","","","","","1.027","","","","has coordinates","232120","2020-10-21","18:00:00",""
"4347028","22.1617","0.0017","15.9205","0.0012","11.9664","0.0009","90","","90","","90","","4222","0.6","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C16.5 H26 Au0.5 Cl2 Ga0.5 O0.75 P -","- C16.5 H26 Au0.5 Cl2 Ga0.5 O0.75 P -","- C132 H208 Au4 Cl16 Ga4 O6 P8 -","8","1","","Hu, Ji-Yun; Zhang, Jing; Wang, Gao-Xiang; Sun, Hao-Ling; Zhang, Jun-Long","Constructing a Catalytic Cycle for C-F to C-X (X = O, S, N) Bond Transformation Based on Gold-Mediated Ligand Nucleophilic Attack.","Inorganic chemistry","2016","55","5","2274","2283","10.1021/acs.inorgchem.5b02634","","","0.71073","MoKα","","0.0599","0.0398","","","0.1157","0.128","","","","","","1.045","","","","has coordinates","232121","2020-10-21","18:00:00",""
"4347029","12.0778","0.0004","26.4908","0.0007","12.2698","0.0005","90","","117.926","0.005","90","","3468.6","0.3","180.01","0.1","180.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Au Cl F2.5 N0.5 O2 P2 -","- C34 H48 Au Cl F2.5 N0.5 O2 P2 -","- C136 H192 Au4 Cl4 F10 N2 O8 P8 -","4","1","","Hu, Ji-Yun; Zhang, Jing; Wang, Gao-Xiang; Sun, Hao-Ling; Zhang, Jun-Long","Constructing a Catalytic Cycle for C-F to C-X (X = O, S, N) Bond Transformation Based on Gold-Mediated Ligand Nucleophilic Attack.","Inorganic chemistry","2016","55","5","2274","2283","10.1021/acs.inorgchem.5b02634","","","0.7107","MoKα","","0.0326","0.0261","","","0.0579","0.061","","","","","","1.05","","","","has coordinates,has disorder","232122","2020-10-21","18:00:00",""
"4347030","12.4888","0.0003","25.2517","0.0007","28.0939","0.0011","90","","97.053","0.003","90","","8792.7","0.5","150","2","150","2","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H73 B Br2 Cu3 F4 Fe P11 -","- C74 H73 B Br2 Cu3 F4 Fe P11 -","- C296 H292 B4 Br8 Cu12 F16 Fe4 P44 -","4","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","0.71073","MoKα","","0.0743","0.056","","","0.1555","0.1696","","","","","","1.085","","","","has coordinates","232123","2020-10-21","18:00:00",""
"4347031","25.9617","0.0002","15.6931","0.0001","29.5724","0.0003","90","","94.798","0.001","90","","12006.2","0.17","123","1","123","1","","","","","","","see text","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H58 B Br2 Cu3 F4 P6 -","- C64 H58 B Br2 Cu3 F4 P6 -","- C512 H464 B8 Br16 Cu24 F32 P48 -","8","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","1.54178","CuKα","","0.0281","0.0256","","","0.0715","0.0726","","","","","","1.092","","","","has coordinates","232124","2020-10-21","18:00:00",""
"4347032","14.9976","0.0002","19.9846","0.0003","29.7143","0.0005","90","","90","","90","","8906","0.2","123","1","123","1","","","","","","","see text","10","P 21 21 21","P 2ac 2ab","19","","","","- C81 H74 B Cl6 Cu3 F4 I2 Mo2 O4 P8 -","- C81 H74 B Cl6 Cu3 F4 I2 Mo2 O4 P8 -","- C324 H296 B4 Cl24 Cu12 F16 I8 Mo8 O16 P32 -","4","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","1.54178","CuKα","","0.0513","0.048","","","0.1282","0.1313","","","","","","1.027","","","","has coordinates","232125","2020-10-21","18:00:00",""
"4347033","12.649","0.0004","44.9781","0.0015","13.0564","0.0004","90","","111.149","0.003","90","","6927.8","0.4","123","1","123","1","","","","","","","see text","8","P 1 21/n 1","-P 2yn","14","","","","- C67 H64 B Br2 Cl6 Cu3 F4 P6 -","- C67 H64 B Br2 Cl6 Cu3 F4 P6 -","- C268 H256 B4 Br8 Cl24 Cu12 F16 P24 -","4","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","1.54178","CuKα","","0.0484","0.0375","","","0.0982","0.1022","","","","","","1.127","","","","has coordinates","232126","2020-10-21","18:00:00",""
"4347034","20.159","0.0002","12.8028","0.0001","27.5537","0.0002","90","","97.607","0.001","90","","7048.8","0.1","123","1","123","1","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C132 H124 B2 Cl8 Cu6 F8 I4 P12 -","- C132 H124 B2 Cl8 Cu6 F8 I4 P12 -","- C264 H248 B4 Cl16 Cu12 F16 I8 P24 -","2","0.5","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","1.5418","CuKα","","0.0487","0.0419","","","0.1269","0.1324","","","","","","1.057","","","","has coordinates,has disorder","232127","2020-10-21","18:00:00",""
"4347035","14.1918","0.0002","15.0336","0.0003","21.1593","0.0004","94.291","0.002","107.91","0.002","102.175","0.002","4151.42","0.15","122.97","0.19","122.97","0.19","","","","","","","","8","P -1","-P 1","2","","","","- C70 H67 B Cu3 F4 I2 N3 P6 -","- C70 H67 B Cu3 F4 I2 N3 P6 -","- C140 H134 B2 Cu6 F8 I4 N6 P12 -","2","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","","1.5418","CuKα","","0.0461","0.0368","","","0.0968","0.1026","","","","","","1.026","","","","has coordinates,has disorder","232128","2020-10-21","18:00:00",""
"4347036","15.60512","0.00013","31.7652","0.0002","14.0517","0.00013","90","","114.086","0.0011","90","","6358.96","0.1","123.02","0.1","123.02","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H60 B Cl4 Cu3 F4 P6 -","- C65 H60 B Cl4 Cu3 F4 P6 -","- C260 H240 B4 Cl16 Cu12 F16 P24 -","4","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","1.54184","CuKα","","0.0342","0.0324","","","0.0888","0.0899","","","","","","1.044","","","","has coordinates,has disorder","232130","2020-10-21","18:00:00",""
"4347037","12.9373","0.0002","13.4542","0.0002","21.4483","0.0002","88.2465","0.0011","73.3789","0.0011","77.9023","0.0014","3496.16","0.09","122.9","0.4","122.9","0.4","","","","","","","","9","P -1","-P 1","2","","","","- C72 H73.36 B Br2 Cu3 F4 N2 O P6 -","- C72 H73.36 B Br2 Cu3 F4 N2 O P6 -","- C144 H146.72 B2 Br4 Cu6 F8 N4 O2 P12 -","2","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","1.54184","CuKα","","0.0449","0.0347","","","0.0967","0.1157","","","","","","1.138","","","","has coordinates,has disorder","232132","2020-10-21","18:00:00",""
"4347038","14.1533","0.0002","15.0547","0.0002","21.4267","0.0003","95.7164","0.0011","106.795","0.0013","101.52","0.0012","4222.04","0.11","122.9","0.6","122.9","0.6","","","","","","","","8","P -1","-P 1","2","","","","- C66 H62 B Cl4 Cu3 F4 I2 P6 -","- C66 H62 B Cl4 Cu3 F4 I2 P6 -","- C132 H124 B2 Cl8 Cu6 F8 I4 P12 -","2","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","1.54184","CuKα","","0.0666","0.0553","","","0.1451","0.1504","","","","","","0.956","","","","has coordinates,has disorder","232133","2020-10-21","18:00:00",""
"4347039","12.7309","0.0007","21.1741","0.0015","14.8684","0.0013","90","","110.373","0.007","90","","3757.3","0.5","123","1","123","1","","","","","","","see text","10","P 1 21 1","P 2yb","4","","","","- C72 H65 B Br2 Cl2 Cu3 F4 Mo O2 P9 -","- C72 H65 B Br2 Cl2 Cu3 F4 Mo O2 P9 -","- C144 H130 B2 Br4 Cl4 Cu6 F8 Mo2 O4 P18 -","2","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","0.71073","MoKα","","0.0438","0.0378","","","0.0834","0.087","","","","","","1.027","","","","has coordinates","232134","2020-10-21","18:00:00",""
"4347040","24.5036","0.0005","15.3314","0.0003","26.5971","0.0006","90","","98.126","0.002","90","","9891.5","0.4","123","0.2","123","0.2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C86.29 H92.58 B Cl4.58 Cu3 F4 Fe2 I2 P16 -","- C86.29 H92.58 B Cl4.58 Cu3 F4 Fe2 I2 P16 -","- C345.16 H370.32 B4 Cl18.32 Cu12 F16 Fe8 I8 P64 -","4","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","1.54184","CuKα","","0.1111","0.1027","","","0.2593","0.2633","","","","","","1.089","","","","has coordinates,has disorder","232135","2020-10-21","18:00:00",""
"4347041","23.7257","0.0002","15.12645","0.00014","26.4442","0.0002","90","","99.9325","0.0009","90","","9348.2","0.14","123","1","123","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C78 H68 B Cu3 F4 I2 Mo2 O4 P12 -","- C78 H68 B Cu3 F4 I2 Mo2 O4 P12 -","- C312 H272 B4 Cu12 F16 I8 Mo8 O16 P48 -","4","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","1.54184","CuKα","","0.0588","0.0523","","","0.1441","0.1527","","","","","","1.043","","","","has coordinates,has disorder","232136","2020-10-21","18:00:00",""
"4347042","12.8572","0.0002","43.8609","0.0009","14.9221","0.0004","90","","95.004","0.002","90","","8382.9","0.3","123","1","123","1","","","","","","","see text","10","P 1 21/c 1","-P 2ybc","14","","","","- C80 H72 B Br2 Cl4 Cu3 F4 Mo2 O4 P8 -","- C80 H72 B Br2 Cl4 Cu3 F4 Mo2 O4 P8 -","- C320 H288 B4 Br8 Cl16 Cu12 F16 Mo8 O16 P32 -","4","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","1.54178","CuKα","","0.0613","0.0497","","","0.1267","0.1356","","","","","","0.988","","","","has coordinates","232137","2020-10-21","18:00:00",""
"4347043","16.3524","0.0003","16.3524","0.0003","47.408","0.002","90","","90","","90","","12676.9","0.6","296","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C25 H64 Cu8 N3 Na5 O58 -","- C25 H64 Cu8 N3 Na4.999 O58 -","- C200 H512 Cu64 N24 Na39.992 O464 -","8","1","","Meng, Wei; Xu, Feng; Xu, Weijian","Enantiomerically Pure Chiral {Cu(II)32}-Based 2D-Layered Frameworks: From the Asymmetric Octacopper(II) Subcomponents to 3D Hierarchical Supramolecular Structures.","Inorganic chemistry","2016","55","6","2673","2675","10.1021/acs.inorgchem.5b02654","","","0.71073","MoKα","","0.121","0.0817","","","0.1917","0.2042","","","","","","1.068","","","","has coordinates,has disorder","232138","2020-10-21","18:00:00",""
"4347044","16.3201","0.0016","16.3201","0.0016","47.25","0.004","90","","90","","90","","12585","2","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C25 H64 Cu8 N3 Na5 O58 -","- C25 H64 Cu8 N3 Na5 O58 -","- C200 H512 Cu64 N24 Na40 O464 -","8","1","","Meng, Wei; Xu, Feng; Xu, Weijian","Enantiomerically Pure Chiral {Cu(II)32}-Based 2D-Layered Frameworks: From the Asymmetric Octacopper(II) Subcomponents to 3D Hierarchical Supramolecular Structures.","Inorganic chemistry","2016","55","6","2673","2675","10.1021/acs.inorgchem.5b02654","","","0.71073","MoKα","","0.1127","0.0882","","","0.1971","0.2071","","","","","","1.12","","","","has coordinates,has disorder","232139","2020-10-21","18:00:00",""
"4347045","27.694","0.002","15.8734","0.0011","18.5692","0.0015","90","","110.079","0.009","90","","7666.8","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 N2 O20 Zn -","- C80 H60 O16 Zn -","- C320 H240 O64 Zn4 -","4","0.5","","Zhao, Si-Si; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Fluorescent Aromatic Tag-Functionalized MOFs for Highly Selective Sensing of Metal Ions and Small Organic Molecules.","Inorganic chemistry","2016","55","5","2261","2273","10.1021/acs.inorgchem.5b02666","","","0.71073","MoKα","","0.1485","0.0926","","","0.2247","0.2469","","","","","","1.167","","","","has coordinates,has disorder","232140","2020-10-21","18:00:00",""
"4347046","13.369","0.0011","16.12","0.0013","16.459","0.0011","78.684","0.006","83.297","0.006","72.579","0.007","3312.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H72 N O24 Zn2 -","- C67 H58 N O21 Zn2 -","- C134 H116 N2 O42 Zn4 -","2","1","","Zhao, Si-Si; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Fluorescent Aromatic Tag-Functionalized MOFs for Highly Selective Sensing of Metal Ions and Small Organic Molecules.","Inorganic chemistry","2016","55","5","2261","2273","10.1021/acs.inorgchem.5b02666","","","0.71069","MoKα","","0.2159","0.1238","","","0.2576","0.2978","","","","","","1.226","","","","has coordinates,has disorder","232141","2020-10-21","18:00:00",""
"4347047","7.9092","0.0016","21.538","0.004","16.837","0.003","90","","102.87","0.03","90","","2796.1","1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 Au B3 F12 N5 -","- C22 H23 Au B3 F12 N5 -","- C88 H92 Au4 B12 F48 N20 -","4","1","","Corbo, Robert; Ryan, Gemma F.; Haghighatbin, Mohammad A.; Hogan, Conor F.; Wilson, David J. D.; Hulett, Mark D.; Barnard, Peter J.; Dutton, Jason L.","Access to the Parent Tetrakis(pyridine)gold(III) Trication, Facile Formation of Rare Au(III) Terminal Hydroxides, and Preliminary Studies of Biological Properties.","Inorganic chemistry","2016","55","6","2830","2839","10.1021/acs.inorgchem.5b02667","","","0.71073","MoKα","","0.0443","0.0314","","","0.0678","0.0742","","","","","","1.064","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347048","19.814","0.004","19.863","0.004","12.427","0.003","90","","90","","90","","4890.8","1.8","173","2","173","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C20 H20 Au2 B2 F8 N4 -","- C20 H20 Au2 B2 F8 N4 -","- C160 H160 Au16 B16 F64 N32 -","8","0.5","","Corbo, Robert; Ryan, Gemma F.; Haghighatbin, Mohammad A.; Hogan, Conor F.; Wilson, David J. D.; Hulett, Mark D.; Barnard, Peter J.; Dutton, Jason L.","Access to the Parent Tetrakis(pyridine)gold(III) Trication, Facile Formation of Rare Au(III) Terminal Hydroxides, and Preliminary Studies of Biological Properties.","Inorganic chemistry","2016","55","6","2830","2839","10.1021/acs.inorgchem.5b02667","","","0.71073","MoKα","","0.041","0.0355","","","0.0991","0.1022","","","","","","1.224","","","","has coordinates","232142","2020-10-21","18:00:00",""
"4347049","14.34","0.003","12.963","0.003","19.695","0.004","90","","90","","90","","3661.1","1.4","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C26 H28 Au F6 N6 O6 S2 -","- C26 H28 Au F6 N6 O6 S2 -","- C104 H112 Au4 F24 N24 O24 S8 -","4","0.5","","Corbo, Robert; Ryan, Gemma F.; Haghighatbin, Mohammad A.; Hogan, Conor F.; Wilson, David J. D.; Hulett, Mark D.; Barnard, Peter J.; Dutton, Jason L.","Access to the Parent Tetrakis(pyridine)gold(III) Trication, Facile Formation of Rare Au(III) Terminal Hydroxides, and Preliminary Studies of Biological Properties.","Inorganic chemistry","2016","55","6","2830","2839","10.1021/acs.inorgchem.5b02667","","","0.71073","MoKα","","0.0386","0.0337","","","0.0897","0.0921","","","","","","1.117","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347050","15.9592","0.0007","13.0177","0.0003","19.3394","0.0007","90","","110.422","0.005","90","","3765.3","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Au F9 N6 O9 S3 -","- C29 H28 Au F9 N6 O9 S3 -","- C116 H112 Au4 F36 N24 O36 S12 -","4","1","","Corbo, Robert; Ryan, Gemma F.; Haghighatbin, Mohammad A.; Hogan, Conor F.; Wilson, David J. D.; Hulett, Mark D.; Barnard, Peter J.; Dutton, Jason L.","Access to the Parent Tetrakis(pyridine)gold(III) Trication, Facile Formation of Rare Au(III) Terminal Hydroxides, and Preliminary Studies of Biological Properties.","Inorganic chemistry","2016","55","6","2830","2839","10.1021/acs.inorgchem.5b02667","","","0.71073","MoKα","","0.0569","0.0442","","","0.109","0.1196","","","","","","1.082","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347051","7.914","0.0003","13.2122","0.0006","14.4964","0.0007","77.005","0.004","74.267","0.004","72.687","0.004","1375.63","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20.5 Au F6 N4.5 O7 S2 -","- C20 H20.5 Au F6 N4.5 O7 S2 -","- C40 H41 Au2 F12 N9 O14 S4 -","2","1","","Corbo, Robert; Ryan, Gemma F.; Haghighatbin, Mohammad A.; Hogan, Conor F.; Wilson, David J. D.; Hulett, Mark D.; Barnard, Peter J.; Dutton, Jason L.","Access to the Parent Tetrakis(pyridine)gold(III) Trication, Facile Formation of Rare Au(III) Terminal Hydroxides, and Preliminary Studies of Biological Properties.","Inorganic chemistry","2016","55","6","2830","2839","10.1021/acs.inorgchem.5b02667","","","1.54184","CuKα","","0.0603","0.0568","","","0.1467","0.1507","","","","","","1.07","","","","has coordinates","232142","2020-10-21","18:00:00",""
"4347052","7.8309","0.0016","13.386","0.003","14.14","0.003","93.2","0.03","102.05","0.03","99.37","0.03","1424","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H20.5 Au F6 N4.5 O7 S2 -","- C22 H20.5 Au F6 N4.5 O7 S2 -","- C44 H41 Au2 F12 N9 O14 S4 -","2","1","","Corbo, Robert; Ryan, Gemma F.; Haghighatbin, Mohammad A.; Hogan, Conor F.; Wilson, David J. D.; Hulett, Mark D.; Barnard, Peter J.; Dutton, Jason L.","Access to the Parent Tetrakis(pyridine)gold(III) Trication, Facile Formation of Rare Au(III) Terminal Hydroxides, and Preliminary Studies of Biological Properties.","Inorganic chemistry","2016","55","6","2830","2839","10.1021/acs.inorgchem.5b02667","","","0.71073","MoKα","","0.0407","0.0342","","","0.085","0.0896","","","","","","1.073","","","","has coordinates","232142","2020-10-21","18:00:00",""
"4347053","16.8903","0.0007","16.0202","0.0006","17.4942","0.0006","90","","112.493","0.002","90","","4373.6","0.3","200","2","200","2","","","","","","","synthesized by the authors","6","C 1 2/m 1","-C 2y","12","","The contribution of THF was removed from diffraction pattern due its disorder.","","- C16 H52 B22 N2 P2 Pd -","- C16 H52 B22 N2 P2 Pd -","- C64 H208 B88 N8 P8 Pd4 -","4","0.5","","Šembera, Filip; Plutnar, Jan; Higelin, Alexander; Janoušek, Zbyněk; Císařová, Ivana; Michl, Josef","Metal Complexes with Very Large Dipole Moments: the Anionic Carborane Nitriles 12-NC-CB11X11(-) (X = H, F, CH3) as Ligands on Pt(II) and Pd(II).","Inorganic chemistry","2016","55","8","3797","3806","10.1021/acs.inorgchem.5b02678","","","0.71073","MoKα","","0.044","0.0315","","","0.0669","0.0703","","","","","","0.989","","","","has coordinates","232143","2020-10-21","18:00:00",""
"4347054","9.6873","0.0003","13.0605","0.0003","16.8784","0.0004","90","","122.515","0.001","90","","1800.74","0.08","150","2","150","2","","","","","","","synthesized by the authors","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H52 B22 N2 P2 Pt -","- C16 H52 B22 N2 P2 Pt -","- C32 H104 B44 N4 P4 Pt2 -","2","0.5","","Šembera, Filip; Plutnar, Jan; Higelin, Alexander; Janoušek, Zbyněk; Císařová, Ivana; Michl, Josef","Metal Complexes with Very Large Dipole Moments: the Anionic Carborane Nitriles 12-NC-CB11X11(-) (X = H, F, CH3) as Ligands on Pt(II) and Pd(II).","Inorganic chemistry","2016","55","8","3797","3806","10.1021/acs.inorgchem.5b02678","","","0.71073","MoKα","","0.0338","0.0195","","","0.0347","0.0381","","","","","","1.015","","","","has coordinates","232144","2020-10-21","18:00:00",""
"4347055","17.7138","0.0007","10.0954","0.0004","10.2647","0.0004","90","","121.089","0.002","90","","1571.96","0.11","150","2","150","2","","","","","","","synthesized by the authors","5","C 1 c 1","C -2yc","9","","","","- C6 H21 B11 N2 O2 -","- C6 H21 B11 N2 O2 -","- C24 H84 B44 N8 O8 -","4","1","","Šembera, Filip; Plutnar, Jan; Higelin, Alexander; Janoušek, Zbyněk; Císařová, Ivana; Michl, Josef","Metal Complexes with Very Large Dipole Moments: the Anionic Carborane Nitriles 12-NC-CB11X11(-) (X = H, F, CH3) as Ligands on Pt(II) and Pd(II).","Inorganic chemistry","2016","55","8","3797","3806","10.1021/acs.inorgchem.5b02678","","","0.71073","MoKα","","0.0397","0.0365","","","0.0936","0.0959","","","","","","1.055","","","","has coordinates","232145","2020-10-21","18:00:00",""
"4347056","19.7236","0.0004","20.1521","0.0003","21.4602","0.0003","90","","117.293","0.001","90","","7580.2","0.2","150","2","150","2","","","","","","","synthesized by the authors","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H52 B22 N2 P2 Pt -","- C16 H52 B22 N2 P2 Pt -","- C128 H416 B176 N16 P16 Pt8 -","8","2","","Šembera, Filip; Plutnar, Jan; Higelin, Alexander; Janoušek, Zbyněk; Císařová, Ivana; Michl, Josef","Metal Complexes with Very Large Dipole Moments: the Anionic Carborane Nitriles 12-NC-CB11X11(-) (X = H, F, CH3) as Ligands on Pt(II) and Pd(II).","Inorganic chemistry","2016","55","8","3797","3806","10.1021/acs.inorgchem.5b02678","","","0.71073","MoKα","","0.0477","0.0321","","","0.0628","0.0669","","","","","","1.035","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4347057","16.5202","0.0003","16.1578","0.0003","17.9755","0.0004","90","","112.763","0.001","90","","4424.49","0.15","200","2","200","2","","","","","","","synthesized by the authors","6","C 1 2/m 1","-C 2y","12","","The contribution of THF was removed from diffraction pattern due its disorder.","","- C18 H54 B22 N2 P2 Pt -","- C18 H54 B22 N2 P2 Pt -","- C72 H216 B88 N8 P8 Pt4 -","4","0.5","","Šembera, Filip; Plutnar, Jan; Higelin, Alexander; Janoušek, Zbyněk; Císařová, Ivana; Michl, Josef","Metal Complexes with Very Large Dipole Moments: the Anionic Carborane Nitriles 12-NC-CB11X11(-) (X = H, F, CH3) as Ligands on Pt(II) and Pd(II).","Inorganic chemistry","2016","55","8","3797","3806","10.1021/acs.inorgchem.5b02678","","","0.71073","MoKα","","0.0193","0.0171","","","0.0424","0.043","","","","","","1.059","","","","has coordinates","232147","2020-10-21","18:00:00",""
"4347058","12.5389","0.0001","12.5389","0.0001","27.2742","0.0004","90","","90","","90","","4288.16","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H62 B22 Cs2 N2 -","- C24 H62 B22 Cs2 N2 -","- C96 H248 B88 Cs8 N8 -","4","0.5","","Šembera, Filip; Plutnar, Jan; Higelin, Alexander; Janoušek, Zbyněk; Císařová, Ivana; Michl, Josef","Metal Complexes with Very Large Dipole Moments: the Anionic Carborane Nitriles 12-NC-CB11X11(-) (X = H, F, CH3) as Ligands on Pt(II) and Pd(II).","Inorganic chemistry","2016","55","8","3797","3806","10.1021/acs.inorgchem.5b02678","","","0.71073","MoKα","","0.0386","0.0348","","","0.0839","0.0855","","","","","","1.114","","","","has coordinates,has disorder","232148","2020-10-21","18:00:00",""
"4347059","15.8752","0.0004","15.3345","0.0003","26.8303","0.0006","90","","92.109","0.001","90","","6527.1","0.3","150","2","150","2","","","","","","","synthesized by the authors","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H92 B22 N2 O2 P2 Pt -","- C40 H92 B22 N2 O2 P2 Pt -","- C160 H368 B88 N8 O8 P8 Pt4 -","4","0.5","","Šembera, Filip; Plutnar, Jan; Higelin, Alexander; Janoušek, Zbyněk; Císařová, Ivana; Michl, Josef","Metal Complexes with Very Large Dipole Moments: the Anionic Carborane Nitriles 12-NC-CB11X11(-) (X = H, F, CH3) as Ligands on Pt(II) and Pd(II).","Inorganic chemistry","2016","55","8","3797","3806","10.1021/acs.inorgchem.5b02678","","","0.71073","MoKα","","0.0325","0.0299","","","0.0866","0.0886","","","","","","1.105","","","","has coordinates","232149","2020-10-21","18:00:00",""
"4347060","45.775","0.007","7.3071","0.0006","27.47","0.003","90","","126.02","0.02","90","","7432","2","110.02","0.16","110.02","0.16","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 N2 S -","- C52 H36 N2 S -","- C416 H288 N16 S8 -","8","1","","Białek, Michał J; Latos-Grażyński, Lechosław","Palladium(II), Ruthenium(II), and Ruthenium(III) Complexes of 23-Thiaazuliporphyrin: The Case of Coordination-Induced Contraction.","Inorganic chemistry","2016","55","4","1758","1769","10.1021/acs.inorgchem.5b02684","","","0.71073","MoKα","","0.1575","0.0812","","","0.1207","0.1468","","","","","","1.062","","","","has coordinates","232150","2020-10-21","18:00:00",""
"4347061","13.086","0.003","28.335","0.006","16.858","0.004","90","","102.23","0.03","90","","6109","2","79.9","0.4","79.9","0.4","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H35 Cl3 N2 O0.9 Pd2 S -","- C52 H35 Cl3 N2 O0.898 Pd2 S -","- C208 H140 Cl12 N8 O3.592 Pd8 S4 -","4","1","","Białek, Michał J; Latos-Grażyński, Lechosław","Palladium(II), Ruthenium(II), and Ruthenium(III) Complexes of 23-Thiaazuliporphyrin: The Case of Coordination-Induced Contraction.","Inorganic chemistry","2016","55","4","1758","1769","10.1021/acs.inorgchem.5b02684","","","0.71073","MoKα","","0.1356","0.0868","","","0.2121","0.2408","","","","","","0.943","","","","has coordinates,has disorder","232150","2020-10-21","18:00:00",""
"4347062","10.995","0.002","20.962","0.004","23.41","0.008","90","","99.31","0.02","90","","5324","2","100.1","0.4","100.1","0.4","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H43 Cl9 N2 O Ru S -","- C57 H43 Cl9 N2 O Ru S -","- C228 H172 Cl36 N8 O4 Ru4 S4 -","4","1","","Białek, Michał J; Latos-Grażyński, Lechosław","Palladium(II), Ruthenium(II), and Ruthenium(III) Complexes of 23-Thiaazuliporphyrin: The Case of Coordination-Induced Contraction.","Inorganic chemistry","2016","55","4","1758","1769","10.1021/acs.inorgchem.5b02684","","","0.7107","MoKα","","0.0528","0.039","","","0.0848","0.0918","","","","","","1.018","","","","has coordinates,has disorder","232150","2020-10-21","18:00:00",""
"4347063","10.635","0.003","14.695","0.004","15.144","0.005","62.24","0.03","81.23","0.03","89.46","0.04","2064.7","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54.95 H40.68 Cl1.03 N2 O Pd S -","- C54.934 H40.675 Cl1.026 N2 O Pd S -","- C109.868 H81.35 Cl2.052 N4 O2 Pd2 S2 -","2","1","","Białek, Michał J; Latos-Grażyński, Lechosław","Palladium(II), Ruthenium(II), and Ruthenium(III) Complexes of 23-Thiaazuliporphyrin: The Case of Coordination-Induced Contraction.","Inorganic chemistry","2016","55","4","1758","1769","10.1021/acs.inorgchem.5b02684","","","0.71073","MoKα","","0.0696","0.0498","","","0.1039","0.114","","","","","","1.051","","","","has coordinates,has disorder","232150","2020-10-21","18:00:00",""
"4347064","10.499","0.003","12.514","0.003","16.704","0.004","104.131","0.004","94.362","0.004","113.734","0.004","1910.3","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H52 N2 Ni O2 S2 -","- C42 H52 N2 Ni O2 S2 -","- C84 H104 N4 Ni2 O4 S4 -","2","1","","Ali, Akram; Dhar, Debanjan; Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabindranath","Nickel(II) Complex of a Hexadentate Ligand with Two o-Iminosemiquinonato(1-) π-Radical Units and Its Monocation and Dication.","Inorganic chemistry","2016","55","12","5759","5771","10.1021/acs.inorgchem.5b02688","","","0.71073","MoKα","","0.0893","0.0634","","","0.1551","0.1785","","","","","","1.051","","","","has coordinates","232151","2020-10-21","18:00:00",""
"4347065","17.654","0.003","16.153","0.003","16.068","0.003","90","","91.213","0.003","90","","4581","1.4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H54 Cl2 F6 N2 Ni O2 P S2 -","- C43 H54 Cl2 F6 N2 Ni O2 P S2 -","- C172 H216 Cl8 F24 N8 Ni4 O8 P4 S8 -","4","1","","Ali, Akram; Dhar, Debanjan; Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabindranath","Nickel(II) Complex of a Hexadentate Ligand with Two o-Iminosemiquinonato(1-) π-Radical Units and Its Monocation and Dication.","Inorganic chemistry","2016","55","12","5759","5771","10.1021/acs.inorgchem.5b02688","","","0.71073","MoKα","","0.0854","0.0612","","","0.1531","0.1736","","","","","","1.044","","","","has coordinates","232151","2020-10-21","18:00:00",""
"4347066","10.507","0.005","21.494","0.005","20.472","0.005","90","0.005","91.868","0.005","90","0.005","4621","3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C43 H54 B2 Cl2 F8 N2 Ni O2 S2 -","- C43 H54 B2 Cl2 F8 N2 Ni O2 S2 -","- C172 H216 B8 Cl8 F32 N8 Ni4 O8 S8 -","4","1","","Ali, Akram; Dhar, Debanjan; Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabindranath","Nickel(II) Complex of a Hexadentate Ligand with Two o-Iminosemiquinonato(1-) π-Radical Units and Its Monocation and Dication.","Inorganic chemistry","2016","55","12","5759","5771","10.1021/acs.inorgchem.5b02688","","","0.71073","MoKα","","0.1","0.064","","","0.1652","0.194","","","","","","1.06","","","","has coordinates","232151","2020-10-21","18:00:00",""
"4347067","7.7313","0.0004","19.2204","0.0019","15.4838","0.0014","90","","92.174","0.006","90","","2299.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Cl2 N3 O2 -","- C26 H21 Cl2 N3 O2 -","- C104 H84 Cl8 N12 O8 -","4","1","","Păunescu, Emilia; McArthur, Sarah; Soudani, Mylène; Scopelliti, Rosario; Dyson, Paul J.","Nonsteroidal Anti-inflammatory-Organometallic Anticancer Compounds.","Inorganic chemistry","2016","55","4","1788","1808","10.1021/acs.inorgchem.5b02690","","","0.71073","MoKα","","0.0533","0.0366","","","0.0809","0.0914","","","","","","1.107","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347068","26.219","0.009","13.193","0.007","20.409","0.008","90","","112.12","0.03","90","","6540","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H55 Cl7 N4 O9 Os -","- C60 H53 Cl7 N4 O9 Os -","- C240 H212 Cl28 N16 O36 Os4 -","4","1","","Păunescu, Emilia; McArthur, Sarah; Soudani, Mylène; Scopelliti, Rosario; Dyson, Paul J.","Nonsteroidal Anti-inflammatory-Organometallic Anticancer Compounds.","Inorganic chemistry","2016","55","4","1788","1808","10.1021/acs.inorgchem.5b02690","","","0.71073","MoKα","","0.1481","0.0913","","","0.2037","0.24","","","","","","1.111","","","","has coordinates","232153","2020-10-21","18:00:00",""
"4347069","11.1554","0.0011","11.5216","0.0012","12.7533","0.0011","94.419","0.009","90.632","0.008","110.452","0.007","1530","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H28 Cl2 N O4 P -","- C35 H28 Cl2 N O4 P -","- C70 H56 Cl4 N2 O8 P2 -","2","1","","Păunescu, Emilia; McArthur, Sarah; Soudani, Mylène; Scopelliti, Rosario; Dyson, Paul J.","Nonsteroidal Anti-inflammatory-Organometallic Anticancer Compounds.","Inorganic chemistry","2016","55","4","1788","1808","10.1021/acs.inorgchem.5b02690","","","0.71073","MoKα","","0.0455","0.0334","","","0.0825","0.0918","","","","","","1.109","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347070","22.264","0.002","4.6639","0.0004","23.386","0.002","90","","93.066","0.007","90","","2424.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 Cl4 N4 O8 -","- C44 H34 Cl4 N4 O8 -","- C88 H68 Cl8 N8 O16 -","2","0.5","","Păunescu, Emilia; McArthur, Sarah; Soudani, Mylène; Scopelliti, Rosario; Dyson, Paul J.","Nonsteroidal Anti-inflammatory-Organometallic Anticancer Compounds.","Inorganic chemistry","2016","55","4","1788","1808","10.1021/acs.inorgchem.5b02690","","","0.71073","MoKα","","0.116","0.0649","","","0.1294","0.1565","","","","","","1.048","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347071","13.062","0.003","15.725","0.004","20.565","0.005","90","","106.358","0.004","90","","4053.1","1.7","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cl2 F3 Ir N4 O3 S -","- C42 H36 Cl2 F3 Ir N4 O3 S -","- C168 H144 Cl8 F12 Ir4 N16 O12 S4 -","4","1","","Maity, Ayan; Le, Linh Q.; Zhu, Zhuan; Bao, Jiming; Teets, Thomas S.","Steric and Electronic Influence of Aryl Isocyanides on the Properties of Iridium(III) Cyclometalates.","Inorganic chemistry","2016","55","5","2299","2308","10.1021/acs.inorgchem.5b02691","","","0.71073","MoKα","","0.0396","0.0312","","","0.0773","0.0817","","","","","","1.042","","","","has coordinates,has disorder","232156","2020-10-21","18:00:00",""
"4347072","9.4166","0.0013","10.9988","0.0015","21.153","0.003","98.7754","0.0017","101.979","0.0017","103.734","0.0018","2034.3","0.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H31 Cl3 F10 Ir N4 P -","- C41 H31 Cl3 F10 Ir N4 P -","- C82 H62 Cl6 F20 Ir2 N8 P2 -","2","1","","Maity, Ayan; Le, Linh Q.; Zhu, Zhuan; Bao, Jiming; Teets, Thomas S.","Steric and Electronic Influence of Aryl Isocyanides on the Properties of Iridium(III) Cyclometalates.","Inorganic chemistry","2016","55","5","2299","2308","10.1021/acs.inorgchem.5b02691","","","0.71073","MoKα","","0.0271","0.0259","","","0.0652","0.0658","","","","","","1.108","","","","has coordinates","232156","2020-10-21","18:00:00",""
"4347073","13.131","0.002","18.91","0.003","12.882","0.002","90","","117.88","0.002","90","","2827.4","0.8","123","2","123","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C54 H52 Cl6 F6 Ir N4 P S2 -","- C54 H52 Cl6 F6 Ir N4 P S2 -","- C108 H104 Cl12 F12 Ir2 N8 P2 S4 -","2","1","","Maity, Ayan; Le, Linh Q.; Zhu, Zhuan; Bao, Jiming; Teets, Thomas S.","Steric and Electronic Influence of Aryl Isocyanides on the Properties of Iridium(III) Cyclometalates.","Inorganic chemistry","2016","55","5","2299","2308","10.1021/acs.inorgchem.5b02691","","","0.71073","MoKα","","0.0451","0.0344","","","0.0648","0.068","","","","","","0.914","","","","has coordinates","232156","2020-10-21","18:00:00",""
"4347074","16.006","0.002","12.8079","0.0017","27.606","0.004","90","","92.3505","0.0017","90","","5654.6","1.3","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C51 H33 Cl9 F6 Ir N4 P S2 -","- C51 H33 Cl9 F6 Ir N4 P S2 -","- C204 H132 Cl36 F24 Ir4 N16 P4 S8 -","4","1","","Maity, Ayan; Le, Linh Q.; Zhu, Zhuan; Bao, Jiming; Teets, Thomas S.","Steric and Electronic Influence of Aryl Isocyanides on the Properties of Iridium(III) Cyclometalates.","Inorganic chemistry","2016","55","5","2299","2308","10.1021/acs.inorgchem.5b02691","","","0.71073","MoKα","","0.0639","0.0522","","","0.1416","0.1501","","","","","","1.057","","","","has coordinates,has disorder","232156","2020-10-21","18:00:00",""
"4347075","16.325","0.005","16.325","0.005","26.077","0.009","90","","90","","120","","6019","3","123","2","123","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C44 H34 F6 Ir N4 P S2 -","- C44 H34 F6 Ir N4 P S2 -","- C264 H204 F36 Ir6 N24 P6 S12 -","6","1","","Maity, Ayan; Le, Linh Q.; Zhu, Zhuan; Bao, Jiming; Teets, Thomas S.","Steric and Electronic Influence of Aryl Isocyanides on the Properties of Iridium(III) Cyclometalates.","Inorganic chemistry","2016","55","5","2299","2308","10.1021/acs.inorgchem.5b02691","","","0.71073","MoKα","","0.0205","0.0189","","","0.043","0.0441","","","","","","1.082","","","","has coordinates","232156","2020-10-21","18:00:00",""
"4347076","14.8451","0.0002","14.8451","0.0002","12.2127","0.0003","90","","90","","90","","2691.4","0.08","293","2","293","2","","","","","","","","5","P 42","P 4c","77","","","","- C16 H32 Cu14 I12 N21 -","- C16 H32 Cu14 I12 N21 -","- C32 H64 Cu28 I24 N42 -","2","0.5","","Liu, Juan; Wang, Fei; Liu, Li-Yang; Zhang, Jian","Interpenetrated Three-Dimensional Copper-Iodine Cluster-Based Framework with Enantiopure Porphyrin-like Templates.","Inorganic chemistry","2016","55","4","1358","1360","10.1021/acs.inorgchem.5b02692","","","0.71073","MoKα","","0.054","0.0434","","","0.1079","0.1151","","","","","","1.055","","","","has coordinates","232157","2020-10-21","18:00:00",""
"4347077","10.8177","0.0003","19.8483","0.0006","25.8687","0.0005","101.117","0.002","101.108","0.0018","94.827","0.002","5305.4","0.2","294.49","0.1","294.49","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C103 H75 Ba5 O26 -","- C104 H77 Ba5 O25 -","- C208 H154 Ba10 O50 -","2","1","","Wang, Rongming; Liu, Xiaobin; Huang, Ao; Wang, Wen; Xiao, Zhenyu; Zhang, Liangliang; Dai, Fangna; Sun, Daofeng","Unprecedented Solvent-Dependent Sensitivities in Highly Efficient Detection of Metal Ions and Nitroaromatic Compounds by a Fluorescent Barium Metal-Organic Framework.","Inorganic chemistry","2016","55","4","1782","1787","10.1021/acs.inorgchem.5b02693","","","1.54184","CuKα","","0.1432","0.1353","","","0.3473","0.3503","","","","","","1.165","","","","has coordinates","232158","2020-10-21","18:00:00",""
"4347078","11.376","0.0002","15.3329","0.0003","22.065","0.0004","101.801","0.0016","93.5362","0.0015","98.4346","0.0015","3709.89","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H44 B Ir N2 S -","- C46 H43 B Ir N2 S -","- C184 H172 B4 Ir4 N8 S4 -","4","2","","Štarha, Pavel; Habtemariam, Abraha; Romero-Canelón, Isolda; Clarkson, Guy J.; Sadler, Peter J.","Hydrosulfide Adducts of Organo-Iridium Anticancer Complexes.","Inorganic chemistry","2016","55","5","2324","2331","10.1021/acs.inorgchem.5b02697","","x-ray","0.71073","MoKα","","0.167","0.0719","","","0.1457","0.181","","","","","","1.01","","","","has coordinates,has disorder","232159","2020-10-21","18:00:00",""
"4347079","7.6088","0.0004","26.9134","0.0013","11.6877","0.0006","90","","103.308","0.002","90","","2329.1","0.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 B F4 N3 O Pt -","- C24 H22 B F4 N3 O Pt -","- C96 H88 B4 F16 N12 O4 Pt4 -","4","1","","Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.","Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.","Inorganic chemistry","2016","55","7","3351","3363","10.1021/acs.inorgchem.5b02713","","","0.71073","MoKα","","0.0394","0.0316","","","0.0567","0.0589","","","","","","1.076","","","","has coordinates,has disorder","232160","2020-10-21","18:00:00",""
"4347080","12.9845","0.0006","21.5813","0.001","6.6105","0.0003","90","","102.186","0.002","90","","1810.67","0.14","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H59 Cl4 N13 O16 Pt4 -","- C74 H59 Cl4 N13 O16 Pt4 -","- C74 H59 Cl4 N13 O16 Pt4 -","1","0.25","","Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.","Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.","Inorganic chemistry","2016","55","7","3351","3363","10.1021/acs.inorgchem.5b02713","","","0.71073","MoKα","","0.0251","0.0185","","","0.0356","0.0371","","","","","","1.032","","","","has coordinates","232160","2020-10-21","18:00:00",""
"4347081","13.003","0.01","21.611","0.016","6.702","0.005","90","","102.685","0.016","90","","1837","2","270","2","270","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H59 Cl4 N13 O16 Pt4 -","- C74 H59 Cl4 N13 O16 Pt4 -","- C74 H59 Cl4 N13 O16 Pt4 -","1","0.25","","Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.","Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.","Inorganic chemistry","2016","55","7","3351","3363","10.1021/acs.inorgchem.5b02713","","","0.71073","MoKα","","0.0801","0.0405","","","0.083","0.0956","","","","","","1.013","","","","has coordinates","232160","2020-10-21","18:00:00",""
"4347082","6.6747","0.001","22.424","0.004","25.647","0.004","90","","94.774","0.005","90","","3825.4","1.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H59 F24 N13 P4 Pt4 -","- C74 H59 F24 N13 P4 Pt4 -","- C148 H118 F48 N26 P8 Pt8 -","2","0.5","","Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.","Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.","Inorganic chemistry","2016","55","7","3351","3363","10.1021/acs.inorgchem.5b02713","","","0.71073","MoKα","","0.0595","0.0364","","","0.0815","0.0896","","","","","","1.034","","","","has coordinates","232160","2020-10-21","18:00:00",""
"4347083","6.6983","0.0002","22.4378","0.0006","25.6991","0.0006","90","","94.465","0.002","90","","3850.73","0.18","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H59 F24 N13 P4 Pt4 -","- C74 H59 F24 N13 P4 Pt4 -","- C148 H118 F48 N26 P8 Pt8 -","2","0.5","","Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.","Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.","Inorganic chemistry","2016","55","7","3351","3363","10.1021/acs.inorgchem.5b02713","","","0.71073","MoKα","","0.0621","0.0307","","","0.0458","0.0511","","","","","","0.96","","","","has coordinates","232160","2020-10-21","18:00:00",""
"4347084","6.7128","0.0006","22.339","0.002","25.698","0.003","90","","93.827","0.004","90","","3845","0.7","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H59 F24 N13 P4 Pt4 -","- C74 H59 F24 N13 P4 Pt4 -","- C148 H118 F48 N26 P8 Pt8 -","2","0.5","","Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.","Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.","Inorganic chemistry","2016","55","7","3351","3363","10.1021/acs.inorgchem.5b02713","","","0.71073","MoKα","","0.0388","0.0257","","","0.0512","0.0556","","","","","","1.025","","","","has coordinates","232160","2020-10-21","18:00:00",""
"4347085","6.7962","0.0003","22.2689","0.001","25.8421","0.0012","90","","91.256","0.002","90","","3910.1","0.3","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H59 F24 N13 P4 Pt4 -","- C74 H59 F24 N13 P4 Pt4 -","- C148 H118 F48 N26 P8 Pt8 -","2","0.5","","Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.","Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.","Inorganic chemistry","2016","55","7","3351","3363","10.1021/acs.inorgchem.5b02713","","","0.71073","MoKα","","0.0854","0.0577","","","0.0924","0.0992","","","","","","1.171","","","","has coordinates","232160","2020-10-21","18:00:00",""
"4347086","6.8452","0.0011","22.312","0.003","25.991","0.004","90","","91.037","0.005","90","","3969","1","280","2","280","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F6 N3 P Pt -","- C18 H14 F6 N3 P Pt -","- C144 H112 F48 N24 P8 Pt8 -","8","2","","Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.","Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.","Inorganic chemistry","2016","55","7","3351","3363","10.1021/acs.inorgchem.5b02713","","","0.71073","MoKα","","0.114","0.0686","","","0.1277","0.1417","","","","","","1.107","","","","has coordinates","232160","2020-10-21","18:00:00",""
"4347087","31.635","0.005","15.744","0.002","19.281","0.004","90","","122.309","0.012","90","","8116","3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H31 F6 N7 O6 Pt2 S2 -","- C40 H31 F6 N7 O6 Pt2 S2 -","- C320 H248 F48 N56 O48 Pt16 S16 -","8","1","","Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.","Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.","Inorganic chemistry","2016","55","7","3351","3363","10.1021/acs.inorgchem.5b02713","","","0.71073","MoKα","","0.0609","0.0281","","","0.0556","0.0662","","","","","","0.998","","","","has coordinates","232160","2020-10-21","18:00:00",""
"4347088","31.767","0.003","15.8507","0.0013","19.337","0.0016","90","","122.124","0.004","90","","8246","1.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H15.5 F3 N3.5 O3 Pt S -","- C20 H15.5 F3 N3.5 O3 Pt S -","- C320 H248 F48 N56 O48 Pt16 S16 -","16","2","","Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.","Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.","Inorganic chemistry","2016","55","7","3351","3363","10.1021/acs.inorgchem.5b02713","","","0.71073","MoKα","","0.0352","0.0224","","","0.0506","0.0579","","","","","","1.045","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4347089","10.8637","0.0005","6.3883","0.0003","16.963","0.0009","90","","105.757","0.006","90","","1133","0.1","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Co3 O14 -","- C22 H20 Co3 O14 -","- C44 H40 Co6 O28 -","2","0.5","","Chen, Min; Zhao, Hui; Sañudo, E Carolina; Liu, Chun-Sen; Du, Miao","Two Isostructural Coordination Polymers Showing Diverse Magnetic Behaviors: Weak Coupling (Ni(II)) and an Ordered Array of Single-Chain Magnets (Co(II)).","Inorganic chemistry","2016","55","8","3715","3717","10.1021/acs.inorgchem.5b02716","","","0.71073","MoKα","","0.0697","0.041","","","0.0827","0.0963","","","","","","0.999","","","","has coordinates","232161","2020-10-21","18:00:00",""
"4347090","10.8352","0.001","6.3246","0.0007","16.8834","0.0017","90","","105.667","0.011","90","","1114","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Ni3 O14 -","- C22 H20 Ni3 O14 -","- C44 H40 Ni6 O28 -","2","0.5","","Chen, Min; Zhao, Hui; Sañudo, E Carolina; Liu, Chun-Sen; Du, Miao","Two Isostructural Coordination Polymers Showing Diverse Magnetic Behaviors: Weak Coupling (Ni(II)) and an Ordered Array of Single-Chain Magnets (Co(II)).","Inorganic chemistry","2016","55","8","3715","3717","10.1021/acs.inorgchem.5b02716","","","0.71073","MoKα","","0.1001","0.0578","","","0.1554","0.1848","","","","","","1.007","","","","has coordinates","232161","2020-10-21","18:00:00",""
"4347091","10.854","0.0003","11.7897","0.0003","13.2814","0.0003","105.184","0.001","102.807","0.001","114.805","0.001","1378.15","0.06","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H30 Cu2 Mo12 N6 O42 Si -","- C30 H30 Cu2 Mo12 N6 O42 Si -","- C30 H30 Cu2 Mo12 N6 O42 Si -","1","0.5","","Roy, Soumyabrata; Sarkar, Sumanta; Pan, Jaysree; Waghmare, Umesh V.; Dhanya, R.; Narayana, Chandrabhas; Peter, Sebastian C.","Crystal Structure and Band Gap Engineering in Polyoxometalate-Based Inorganic-Organic Hybrids.","Inorganic chemistry","2016","55","7","3364","3377","10.1021/acs.inorgchem.5b02718","","","0.71073","MoKα","","0.0639","0.0498","","","0.1084","0.1205","","","","","","1.04","","","","has coordinates","232162","2020-10-21","18:00:00",""
"4347092","13.9658","0.0017","14.2231","0.0016","21.732","0.002","85.513","0.008","82.56","0.009","63.28","0.012","3822.4","0.8","293","","293","","","","","","","","","8","P -1","-P 1","2","[(SiMo12O40)][Cu5Cl2(C10H8N2)5].2H2O","","","- C50 H44 Cl2 Cu5 Mo12 N10 O42 Si -","- C50 H44 Cl2 Cu5 Mo12 N10 O42 Si -","- C100 H88 Cl4 Cu10 Mo24 N20 O84 Si2 -","2","1","","Roy, Soumyabrata; Sarkar, Sumanta; Pan, Jaysree; Waghmare, Umesh V.; Dhanya, R.; Narayana, Chandrabhas; Peter, Sebastian C.","Crystal Structure and Band Gap Engineering in Polyoxometalate-Based Inorganic-Organic Hybrids.","Inorganic chemistry","2016","55","7","3364","3377","10.1021/acs.inorgchem.5b02718","","","0.71073","MoKα","","0.1942","0.0969","","","0.1668","0.2082","","","","","","1.052","","","","has coordinates","232163","2020-10-21","18:00:00",""
"4347093","11.5292","0.0004","12.0812","0.0005","17.3184","0.0007","90","","103.319","0.002","90","","2347.34","0.16","295","2","295.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[(H4SiMo12O40)][(C10H8N2)2].2H2O","","","- C20 H24 Cl0 Cu0 Mo12 N4 O42 Si -","- C20 H24 Mo12 N4 O42 Si -","- C40 H48 Mo24 N8 O84 Si2 -","2","0.5","","Roy, Soumyabrata; Sarkar, Sumanta; Pan, Jaysree; Waghmare, Umesh V.; Dhanya, R.; Narayana, Chandrabhas; Peter, Sebastian C.","Crystal Structure and Band Gap Engineering in Polyoxometalate-Based Inorganic-Organic Hybrids.","Inorganic chemistry","2016","55","7","3364","3377","10.1021/acs.inorgchem.5b02718","","","0.71073","MoKα","","0.1021","0.0789","","","0.1575","0.1678","","","","","","1.289","","","","has coordinates","232164","2020-10-21","18:00:00",""
"4347094","10.895","0.0003","13.5706","0.0004","20.6833","0.0006","85.803","0.001","88.489","0.001","78.106","0.001","2984.18","0.15","293","","293","","","","","","","","","7","P -1","-P 1","2","[H3(SiMo12O40)2][Cu5(C10H8N2)7].2H2O","","","- C70 H64 Cu5 Mo24 N14 O82 Si2 -","- C70 H64 Cu5 Mo24 N14 O82 Si2 -","- C70 H64 Cu5 Mo24 N14 O82 Si2 -","1","0.5","","Roy, Soumyabrata; Sarkar, Sumanta; Pan, Jaysree; Waghmare, Umesh V.; Dhanya, R.; Narayana, Chandrabhas; Peter, Sebastian C.","Crystal Structure and Band Gap Engineering in Polyoxometalate-Based Inorganic-Organic Hybrids.","Inorganic chemistry","2016","55","7","3364","3377","10.1021/acs.inorgchem.5b02718","","","0.71073","MoKα","","0.12","0.0674","","","0.1546","0.1871","","","","","","1.037","","","","has coordinates","232165","2020-10-21","18:00:00",""
"4347095","8.4254","0.0008","8.6233","0.0007","11.0279","0.0013","84.012","0.008","69.142","0.01","83.89","0.007","742.56","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Br N2 O -","- C16 H18 Br N2 O -","- C32 H36 Br2 N4 O2 -","2","1","","Penney, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.; Krupenya, Dmitry V.; Gurzhiy, Vladislav V.; Starova, Galina L.; Tunik, Sergey P.","Aurophilicity in Action: Fine-Tuning the Gold(I)-Gold(I) Distance in the Excited State To Modulate the Emission in a Series of Dinuclear Homoleptic Gold(I)-NHC Complexes.","Inorganic chemistry","2016","55","10","4720","4732","10.1021/acs.inorgchem.5b02722","","","0.71073","MoKα","","0.0915","0.061","","","0.1032","0.1152","","","","","","1.042","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347096","13.3949","0.0008","14.9651","0.0006","15.6435","0.0006","70.993","0.004","70.581","0.005","80.539","0.004","2790.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60.75 H57 Au2 Br2 N8 O1.75 S -","- C60.75 H57 Au2 Br2 N8 O1.75 S -","- C121.5 H114 Au4 Br4 N16 O3.5 S2 -","2","1","","Penney, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.; Krupenya, Dmitry V.; Gurzhiy, Vladislav V.; Starova, Galina L.; Tunik, Sergey P.","Aurophilicity in Action: Fine-Tuning the Gold(I)-Gold(I) Distance in the Excited State To Modulate the Emission in a Series of Dinuclear Homoleptic Gold(I)-NHC Complexes.","Inorganic chemistry","2016","55","10","4720","4732","10.1021/acs.inorgchem.5b02722","","","0.71073","MoKα","","0.0679","0.0444","","","0.0835","0.0951","","","","","","1.029","","","","has coordinates","232167","2020-10-21","18:00:00",""
"4347097","19.9551","0.0005","20.196","0.0004","27.3545","0.0006","90","","90","","90","","11024.2","0.4","100","2","100","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C62 H60 Au2 Br2 N8 O2 -","- C62 H52 Au2 Br2 N8 O2 -","- C496 H416 Au16 Br16 N64 O16 -","8","1","","Penney, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.; Krupenya, Dmitry V.; Gurzhiy, Vladislav V.; Starova, Galina L.; Tunik, Sergey P.","Aurophilicity in Action: Fine-Tuning the Gold(I)-Gold(I) Distance in the Excited State To Modulate the Emission in a Series of Dinuclear Homoleptic Gold(I)-NHC Complexes.","Inorganic chemistry","2016","55","10","4720","4732","10.1021/acs.inorgchem.5b02722","","","1.5418","CuKα","","0.1003","0.0971","","","0.2324","0.2413","","","","","","1.099","","","","has coordinates","232167","2020-10-21","18:00:00",""
"4347098","10.66053","0.00013","16.6542","0.0002","31.6516","0.0004","90","","98.7145","0.0011","90","","5554.63","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H56 Au2 Br2 N8 -","- C62 H56 Au2 Br2 N8 -","- C248 H224 Au8 Br8 N32 -","4","1","","Penney, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.; Krupenya, Dmitry V.; Gurzhiy, Vladislav V.; Starova, Galina L.; Tunik, Sergey P.","Aurophilicity in Action: Fine-Tuning the Gold(I)-Gold(I) Distance in the Excited State To Modulate the Emission in a Series of Dinuclear Homoleptic Gold(I)-NHC Complexes.","Inorganic chemistry","2016","55","10","4720","4732","10.1021/acs.inorgchem.5b02722","","","1.54184","CuKα","","0.0336","0.0272","","","0.0646","0.0689","","","","","","1.062","","","","has coordinates,has disorder","232167","2020-10-21","18:00:00",""
"4347099","27.4947","0.0003","11.11324","0.00013","21.4714","0.0002","90","","93.4911","0.0009","90","","6548.52","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 Au Br N4 -","- C31 H28 Au Br N4 -","- C248 H224 Au8 Br8 N32 -","8","1","","Penney, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.; Krupenya, Dmitry V.; Gurzhiy, Vladislav V.; Starova, Galina L.; Tunik, Sergey P.","Aurophilicity in Action: Fine-Tuning the Gold(I)-Gold(I) Distance in the Excited State To Modulate the Emission in a Series of Dinuclear Homoleptic Gold(I)-NHC Complexes.","Inorganic chemistry","2016","55","10","4720","4732","10.1021/acs.inorgchem.5b02722","","","1.54184","CuKα","","0.0511","0.0486","","","0.1365","0.1391","","","","","","1.07","","","","has coordinates,has disorder","232167","2020-10-21","18:00:00",""
"4347100","27.047","0.001","12.4775","0.0003","20.7383","0.0005","90","","96.14","0.003","90","","6958.6","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70.5 H71 Au2 F12 N8 O2.5 P2 -","- C71 H71 Au2 F12 N8 O3 P2 -","- C284 H284 Au8 F48 N32 O12 P8 -","4","0.5","","Penney, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.; Krupenya, Dmitry V.; Gurzhiy, Vladislav V.; Starova, Galina L.; Tunik, Sergey P.","Aurophilicity in Action: Fine-Tuning the Gold(I)-Gold(I) Distance in the Excited State To Modulate the Emission in a Series of Dinuclear Homoleptic Gold(I)-NHC Complexes.","Inorganic chemistry","2016","55","10","4720","4732","10.1021/acs.inorgchem.5b02722","","","0.71073","MoKα","","0.0701","0.0412","","","0.0709","0.0838","","","","","","1.05","","","","has coordinates,has disorder","232167","2020-10-21","18:00:00",""
"4347101","9.2358","0.0006","13.6734","0.0009","16.3139","0.001","90","","91.974","0.002","90","","2059","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 P2 Se -","- C24 H20 P2 Se -","- C96 H80 P8 Se4 -","4","1","","Yogendra, Sivathmeehan; Chitnis, Saurabh S.; Hennersdorf, Felix; Bodensteiner, Michael; Fischer, Roland; Burford, Neil; Weigand, Jan J.","Condensation Reactions of Chlorophosphanes with Chalcogenides.","Inorganic chemistry","2016","55","4","1854","1860","10.1021/acs.inorgchem.5b02723","","","0.71073","MoKα","","0.0347","0.0291","","","0.0763","0.0855","","","","","","1.083","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347102","8.8123","0.0005","15.0897","0.0008","15.0874","0.0008","90","","91.709","0.002","90","","2005.35","0.19","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H36 P2 Se -","- C16 H36 P2 Se -","- C64 H144 P8 Se4 -","4","2","","Yogendra, Sivathmeehan; Chitnis, Saurabh S.; Hennersdorf, Felix; Bodensteiner, Michael; Fischer, Roland; Burford, Neil; Weigand, Jan J.","Condensation Reactions of Chlorophosphanes with Chalcogenides.","Inorganic chemistry","2016","55","4","1854","1860","10.1021/acs.inorgchem.5b02723","","","0.71073","MoKα","","0.0293","0.0264","","","0.0631","0.0724","","","","","","1.098","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347103","10.5488","0.0002","16.6943","0.0003","14.8681","0.0003","90","","96.759","0.001","90","","2600.15","0.09","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Fe O4 P2 S -","- C28 H20 Fe O4 P2 S -","- C112 H80 Fe4 O16 P8 S4 -","4","1","","Yogendra, Sivathmeehan; Chitnis, Saurabh S.; Hennersdorf, Felix; Bodensteiner, Michael; Fischer, Roland; Burford, Neil; Weigand, Jan J.","Condensation Reactions of Chlorophosphanes with Chalcogenides.","Inorganic chemistry","2016","55","4","1854","1860","10.1021/acs.inorgchem.5b02723","","","0.71073","MoKα","","0.051","0.0358","","","0.1036","0.131","","","","","","1.181","","","","has coordinates","232170","2020-10-21","18:00:00",""
"4347104","10.665","0.002","12.9981","0.0019","13.882","0.003","66.155","0.014","76.939","0.019","67.296","0.016","1618.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Br4 N8 Pd2 -","- C22 H30 Br4 N8 Pd2 -","- C44 H60 Br8 N16 Pd4 -","2","1","","Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit","Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2016","55","6","2882","2893","10.1021/acs.inorgchem.5b02727","","","0.71075","MoKα","","0.0621","0.0509","","","0.1394","0.1472","","","","","","1.028","","","","has coordinates","232171","2020-10-21","18:00:00",""
"4347105","13.2731","0.0013","15.1119","0.0016","18.186","0.002","76.402","0.007","72.197","0.006","65.951","0.005","3145.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H32 Br4 N8 Pd2 -","- C23 H32 Br4 N8 Pd2 -","- C92 H128 Br16 N32 Pd8 -","4","2","","Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit","Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2016","55","6","2882","2893","10.1021/acs.inorgchem.5b02727","","","0.71075","MoKα","","0.0624","0.0493","","","0.1118","0.1215","","","","","","0.966","","","","has coordinates","232171","2020-10-21","18:00:00",""
"4347106","17.937","0.002","25.291","0.003","13.2153","0.0018","90","","90","","90","","5995.1","1.3","150","2","150","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C48 H50 Br4 N6 P2 Pd2 -","- C48 H50 Br4 N6 P2 Pd2 -","- C192 H200 Br16 N24 P8 Pd8 -","4","0.5","","Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit","Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2016","55","6","2882","2893","10.1021/acs.inorgchem.5b02727","","","0.71075","MoKα","","0.0201","0.02","","","0.0501","0.0502","","","","","","1.041","","","","has coordinates","232171","2020-10-21","18:00:00",""
"4347107","10.071","0.002","14.881","0.003","18.59","0.004","90","","105.257","0.01","90","","2687.8","1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H55 Br4 N7 P2 Pd2 -","- C51 H55 Br4 N7 P2 Pd2 -","- C102 H110 Br8 N14 P4 Pd4 -","2","1","","Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit","Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2016","55","6","2882","2893","10.1021/acs.inorgchem.5b02727","","","0.71075","MoKα","","0.0301","0.0277","","","0.063","0.064","","","","","","1.023","","","","has coordinates","232171","2020-10-21","18:00:00",""
"4347108","8.698","0.003","10.803","0.003","12.362","0.004","100.223","0.003","97.906","0.004","103.88","0.005","1089.9","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 F12 N10 O8 Pd2 -","- C34 H36 F12 N10 O8 Pd2 -","- C34 H36 F12 N10 O8 Pd2 -","1","0.5","","Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit","Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2016","55","6","2882","2893","10.1021/acs.inorgchem.5b02727","","","0.71075","MoKα","","0.0922","0.0702","","","0.1771","0.1986","","","","","","1.08","","","","has coordinates","276340","2022-06-28","16:01:47",""
"4347109","10.6995","0.0015","10.7438","0.0013","14.055","0.002","70.781","0.005","84.39","0.008","76.156","0.007","1481","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H50 F12 N6 O8 P2 Pd2 -","- C56 H50 F12 N6 O8 P2 Pd2 -","- C56 H50 F12 N6 O8 P2 Pd2 -","1","0.5","","Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit","Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2016","55","6","2882","2893","10.1021/acs.inorgchem.5b02727","","","0.7107","MoKα","","0.0328","0.029","","","0.0696","0.0709","","","","","","0.998","","","","has coordinates","276340","2022-06-28","16:01:47",""
"4347110","12.34","0.003","12.563","0.003","20.985","0.005","85.743","0.005","88.822","0.007","83.674","0.006","3224.3","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H54 F12 N6 O9 P2 Pd2 -","- C57 H54 F12 N6 O9 P2 Pd2 -","- C114 H108 F24 N12 O18 P4 Pd4 -","2","1","","Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit","Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2016","55","6","2882","2893","10.1021/acs.inorgchem.5b02727","","","0.71075","MoKα","","0.0553","0.0452","","","0.0915","0.0979","","","","","","1.064","","","","has coordinates","276340","2022-06-28","16:01:47",""
"4347111","9.223","0.005","12.844","0.006","13.91","0.007","90.184","0.012","93.046","0.014","91.594","0.009","1644.8","1.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Br2 N4 Pd -","- C12 H18 Br2 N4 Pd -","- C48 H72 Br8 N16 Pd4 -","4","2","","Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit","Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2016","55","6","2882","2893","10.1021/acs.inorgchem.5b02727","","","0.71075","MoKα","","0.0557","0.0419","","","0.0817","0.0869","","","","","","0.945","","","","has coordinates","232171","2020-10-21","18:00:00",""
"4347112","9.367","0.003","16.275","0.004","17.136","0.005","90","","98.271","0.004","90","","2585.2","1.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 Br2 N3 P Pd -","- C25 H27 Br2 N3 P Pd -","- C100 H108 Br8 N12 P4 Pd4 -","4","1","","Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit","Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2016","55","6","2882","2893","10.1021/acs.inorgchem.5b02727","","","0.7107","MoKα","","0.0403","0.0351","","","0.077","0.0794","","","","","","1.084","","","","has coordinates","232171","2020-10-21","18:00:00",""
"4347113","13.499","0.0005","5.6223","0.0002","22.2168","0.001","90","","100.521","0.001","90","","1657.81","0.11","301","2","301","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- La4 O22 Si4 V4.73 Zn0.27 -","- La4 O22 Si4 V4.729 Zn0.271 -","- La16 O88 Si16 V18.916 Zn1.084 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad","New Lanthanide Mixed-Valent Vanadium(III/IV) Oxosilicates, Ln4V(5-x)Zn(x)Si4O22 (Ln = La, Ce, Pr, and Nd), Crystallizing in a Quasi Two-Dimensional Rutile-Based Structure.","Inorganic chemistry","2016","55","4","1821","1830","10.1021/acs.inorgchem.5b02735","","","0.71073","MoKα","","0.0317","0.0195","","","0.033","0.0362","","","","","","1.122","","","","has coordinates","232172","2020-10-21","18:00:00",""
"4347114","13.438","0.0005","5.612","0.0002","22.1173","0.0009","90","","100.543","0.0008","90","","1639.8","0.11","301","2","301","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- Ce4 O22 Si4 V4.77 Zn0.23 -","- Ce4 O22 Si4 V4.766 Zn0.234 -","- Ce16 O88 Si16 V19.064 Zn0.936 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad","New Lanthanide Mixed-Valent Vanadium(III/IV) Oxosilicates, Ln4V(5-x)Zn(x)Si4O22 (Ln = La, Ce, Pr, and Nd), Crystallizing in a Quasi Two-Dimensional Rutile-Based Structure.","Inorganic chemistry","2016","55","4","1821","1830","10.1021/acs.inorgchem.5b02735","","","0.71073","MoKα","","0.0197","0.0175","","","0.0411","0.0422","","","","","","1.315","","","","has coordinates","232172","2020-10-21","18:00:00",""
"4347115","13.3881","0.0004","5.6021","0.0002","22.0406","0.0008","90","","100.571","0.0007","90","","1625.02","0.1","301","2","301","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- O22 Pr4 Si4 V4.74 Zn0.26 -","- O22 Pr4 Si4 V4.741 Zn0.259 -","- O88 Pr16 Si16 V18.964 Zn1.036 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad","New Lanthanide Mixed-Valent Vanadium(III/IV) Oxosilicates, Ln4V(5-x)Zn(x)Si4O22 (Ln = La, Ce, Pr, and Nd), Crystallizing in a Quasi Two-Dimensional Rutile-Based Structure.","Inorganic chemistry","2016","55","4","1821","1830","10.1021/acs.inorgchem.5b02735","","","0.71073","MoKα","","0.0197","0.0157","","","0.0317","0.0328","","","","","","1.158","","","","has coordinates","232172","2020-10-21","18:00:00",""
"4347116","13.3232","0.0007","5.6016","0.0003","21.9856","0.0015","90","","100.651","0.0017","90","","1612.55","0.16","301","2","301","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- Nd4 O22 Si4 V4.53 Zn0.47 -","- Nd4 O22 Si4 V4.533 Zn0.467 -","- Nd16 O88 Si16 V18.132 Zn1.868 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad","New Lanthanide Mixed-Valent Vanadium(III/IV) Oxosilicates, Ln4V(5-x)Zn(x)Si4O22 (Ln = La, Ce, Pr, and Nd), Crystallizing in a Quasi Two-Dimensional Rutile-Based Structure.","Inorganic chemistry","2016","55","4","1821","1830","10.1021/acs.inorgchem.5b02735","","","0.71073","MoKα","","0.0306","0.0214","","","0.0355","0.0378","","","","","","1.116","","","","has coordinates","232172","2020-10-21","18:00:00",""
"4347117","16.929","0.003","23.299","0.005","13.836","0.003","90","","105.73","0.03","90","","5253","2","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H64 Cl N9 Ni2 O4 S2 -","- C38 H64 Cl N9 Ni2 O4 S2 -","- C152 H256 Cl4 N36 Ni8 O16 S8 -","4","1","","Jeremies, Alexander; Gruschinski, Sina; Meyer, Michel; Matulis, Vitaly; Ivashkevich, Oleg A.; Kobalz, Karolin; Kersting, Berthold","Azide Binding Controlled by Steric Interactions in Second Sphere. Synthesis, Crystal Structure, and Magnetic Properties of [Ni(II)2(L)(μ(1,1)-N3)][ClO4] (L = Macrocyclic N6S2 Ligand).","Inorganic chemistry","2016","55","4","1843","1853","10.1021/acs.inorgchem.5b02743","","","0.71073","MoKα","","0.0637","0.0449","","","0.1141","0.119","","","","","","0.893","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347118","26.1924","0.0004","12.5713","0.0002","33.1849","0.0005","90","","91.8576","0.0014","90","","10921.1","0.3","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","PbI2dppn","","- C44 H24 I2 N8 Pb -","- C44 H24 I2 N8 Pb -","- C528 H288 I24 N96 Pb12 -","12","1.5","","Travis, Will; Knapp, Caroline E.; Savory, Christopher N.; Ganose, Alex M.; Kafourou, Panagiota; Song, Xingchi; Sharif, Zainab; Cockcroft, Jeremy K.; Scanlon, David O.; Bronstein, Hugo; Palgrave, Robert G.","Hybrid Organic-Inorganic Coordination Complexes as Tunable Optical Response Materials.","Inorganic chemistry","2016","55","7","3393","3400","10.1021/acs.inorgchem.5b02749","","x-ray","1.54184","CuKα","","0.0552","0.0404","","","0.0962","0.1046","","","","","","1.026","","","","has coordinates,has disorder","232174","2020-10-21","18:00:00",""
"4347119","8.33531","0.00018","15.9159","0.0003","14.4471","0.0003","90","","101.03","0.002","90","","1881.2","0.07","99","","99","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","lead diiodide dipyridophenazine","","- C18 H10 I2 N4 Pb -","- C18 H10 I2 N4 Pb -","- C72 H40 I8 N16 Pb4 -","4","0.5","","Travis, Will; Knapp, Caroline E.; Savory, Christopher N.; Ganose, Alex M.; Kafourou, Panagiota; Song, Xingchi; Sharif, Zainab; Cockcroft, Jeremy K.; Scanlon, David O.; Bronstein, Hugo; Palgrave, Robert G.","Hybrid Organic-Inorganic Coordination Complexes as Tunable Optical Response Materials.","Inorganic chemistry","2016","55","7","3393","3400","10.1021/acs.inorgchem.5b02749","","x-ray","1.54184","CuKα","","0.0465","0.0444","","","0.1209","0.1235","","","","","","1.107","","","","has coordinates,has disorder","232175","2020-10-21","18:00:00",""
"4347120","9.166","0.0004","11.4763","0.0008","12.2682","0.0007","106.317","0.006","91.421","0.004","92.341","0.005","1236.61","0.13","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","Bismuth triiodide dipyridophenazine","","- C42 H34 Bi2 I6 N10 O2 -","- C42 H34 Bi2 I6 N10 O2 -","- C42 H34 Bi2 I6 N10 O2 -","1","0.5","","Travis, Will; Knapp, Caroline E.; Savory, Christopher N.; Ganose, Alex M.; Kafourou, Panagiota; Song, Xingchi; Sharif, Zainab; Cockcroft, Jeremy K.; Scanlon, David O.; Bronstein, Hugo; Palgrave, Robert G.","Hybrid Organic-Inorganic Coordination Complexes as Tunable Optical Response Materials.","Inorganic chemistry","2016","55","7","3393","3400","10.1021/acs.inorgchem.5b02749","","x-ray","1.54184","CuKα","","0.0401","0.0342","","","0.0844","0.0902","","","","","","1.016","","","","has coordinates,has disorder","232176","2020-10-21","18:00:00",""
"4347121","8.57429","0.00019","12.9571","0.0003","14.3855","0.0003","116.265","0.002","98.2161","0.0019","90.5808","0.0017","1413.63","0.06","150.3","0.7","150.3","0.7","","","","","","","","6","P -1","-P 1","2","","BiI3dppn","","- C27 H21 Bi I3 N5 O -","- C27 H21 Bi I3 N5 O -","- C54 H42 Bi2 I6 N10 O2 -","2","1","","Travis, Will; Knapp, Caroline E.; Savory, Christopher N.; Ganose, Alex M.; Kafourou, Panagiota; Song, Xingchi; Sharif, Zainab; Cockcroft, Jeremy K.; Scanlon, David O.; Bronstein, Hugo; Palgrave, Robert G.","Hybrid Organic-Inorganic Coordination Complexes as Tunable Optical Response Materials.","Inorganic chemistry","2016","55","7","3393","3400","10.1021/acs.inorgchem.5b02749","","x-ray","1.54184","CuKα","","0.0299","0.0283","","","0.0738","0.0751","","","","","","1.038","","","","has coordinates","232177","2020-10-21","18:00:00",""
"4347122","31.9125","0.001","13.2104","0.0002","27.7411","0.0008","90","","120.658","0.002","90","","10060.4","0.5","133","2","133","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C99 H71 Br4 F24 Fe4 N25 O2 P4 -","- C99 H71 Br4 F24 Fe4 N25 O2 P4 -","- C396 H284 Br16 F96 Fe16 N100 O8 P16 -","4","0.5","","Steinert, Markus; Schneider, Benjamin; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Spin-State Versatility in a Series of Fe4 [2 ×2] Grid Complexes: Effects of Counteranions, Lattice Solvent, and Intramolecular Cooperativity.","Inorganic chemistry","2016","55","5","2363","2373","10.1021/acs.inorgchem.5b02762","","","0.71073","MoKα","","0.0826","0.0609","","","0.1347","0.1455","","","","","","1.046","","","","has coordinates,has disorder","232178","2020-10-21","18:00:00",""
"4347123","14.1679","0.0002","27.6422","0.0006","28.2611","0.0004","90","","90.295","0.001","90","","11067.8","0.3","133","2","133","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C104 H84 Br4 F24 Fe4 N28 O4 P4 -","- C104 H84 Br4 F24 Fe4 N28 O4 P4 -","- C416 H336 Br16 F96 Fe16 N112 O16 P16 -","4","2","","Steinert, Markus; Schneider, Benjamin; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Spin-State Versatility in a Series of Fe4 [2 × 2] Grid Complexes: Effects of Counteranions, Lattice Solvent, and Intramolecular Cooperativity.","Inorganic chemistry","2016","55","5","2363","2373","10.1021/acs.inorgchem.5b02762","","","0.71073","MoKα","","0.0919","0.0639","","","0.1211","0.1303","","","","","","1.052","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347124","19.2517","0.0005","20.2665","0.0006","28.581","0.0008","77.211","0.002","88.923","0.002","86.843","0.002","10857.9","0.5","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C193.5 H135.5 Br8 Cl8 Fe8 N48.5 O36.5 -","- C193.5 H135.5 Br8 Cl7.5 Fe8 N48.5 O34.5 -","- C387 H271 Br16 Cl15 Fe16 N97 O69 -","2","1","","Steinert, Markus; Schneider, Benjamin; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Spin-State Versatility in a Series of Fe4 [2 ×2] Grid Complexes: Effects of Counteranions, Lattice Solvent, and Intramolecular Cooperativity.","Inorganic chemistry","2016","55","5","2363","2373","10.1021/acs.inorgchem.5b02762","","","0.71073","MoKα","","0.1346","0.0919","","","0.218","0.2414","","","","","","1.041","","","","has coordinates,has disorder","232178","2020-10-21","18:00:00",""
"4347125","24.1748","0.0005","24.1748","0.0005","45.7058","0.0011","90","","90","","90","","26711.4","1","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C92 H56 B4 Br4 F16 Fe4 N24 -","- C92 H56 B4 Br4 F16 Fe4 N24 -","- C736 H448 B32 Br32 F128 Fe32 N192 -","8","0.25","","Steinert, Markus; Schneider, Benjamin; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Spin-State Versatility in a Series of Fe4 [2 × 2] Grid Complexes: Effects of Counteranions, Lattice Solvent, and Intramolecular Cooperativity.","Inorganic chemistry","2016","55","5","2363","2373","10.1021/acs.inorgchem.5b02762","","","0.71073","MoKα","","0.1105","0.0812","","","0.1805","0.1963","","","","","","1.102","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347126","20.1962","0.0003","20.1962","0.0003","25.0077","0.0004","90","","90","","90","","10200.3","0.3","133","2","133","2","","","","","","","","6","I -4","I -4","82","","","","- C104 H84 Br8 Fe4 N28 O6 -","- C104 H84 Br8 Fe4 N28 O6 -","- C416 H336 Br32 Fe16 N112 O24 -","4","0.5","","Steinert, Markus; Schneider, Benjamin; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Spin-State Versatility in a Series of Fe4 [2 ×2] Grid Complexes: Effects of Counteranions, Lattice Solvent, and Intramolecular Cooperativity.","Inorganic chemistry","2016","55","5","2363","2373","10.1021/acs.inorgchem.5b02762","","","0.71073","MoKα","","0.0271","0.0246","","","0.0526","0.0533","","","","","","1.056","","","","has coordinates,has disorder","232178","2020-10-21","18:00:00",""
"4347127","11.002","0.0006","15.1694","0.0008","19.7883","0.0011","90","","101.371","0.002","90","","3237.7","0.3","153","2","153","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C56 H68 B2 Cl2 Cu4 N12 P2 S6 W2 -","- C56 H68 B2 Cl2 Cu4 N12 P2 S6 W2 -","- C112 H136 B4 Cl4 Cu8 N24 P4 S12 W4 -","2","0.5","","Zhao, Xin; Zhou, Feng; Liu, Quan; Chen, Qiu-Fang; Yang, Jun-Yi; Zhang, Wen-Hua; Song, Ying-Lin; Lang, Jian-Ping","Diverse Tp*-Capped W-Cu-S Clusters from One-Pot Assembly Involving in Situ Thiolation of Phosphines.","Inorganic chemistry","2016","55","4","1861","1871","10.1021/acs.inorgchem.5b02765","","","0.71073","MoKα","","0.1082","0.0611","","","0.107","0.1203","","","","","","1.076","","","","has coordinates","232179","2020-10-21","18:00:00",""
"4347128","14.7481","0.0003","17.1976","0.0005","17.689","0.0004","94.476","0.002","114.079","0.002","103.481","0.002","3906.75","0.19","291.47","0.1","291.47","0.02","","","","","","","","10","P -1","-P 1","2","","","","- C71 H77 B Cl2 Cu4 F6 N7 P5 S3 W -","- C71 H77 B Cl2 Cu4 F6 N7 P5 S3 W -","- C142 H154 B2 Cl4 Cu8 F12 N14 P10 S6 W2 -","2","1","","Zhao, Xin; Zhou, Feng; Liu, Quan; Chen, Qiu-Fang; Yang, Jun-Yi; Zhang, Wen-Hua; Song, Ying-Lin; Lang, Jian-Ping","Diverse Tp*-Capped W-Cu-S Clusters from One-Pot Assembly Involving in Situ Thiolation of Phosphines.","Inorganic chemistry","2016","55","4","1861","1871","10.1021/acs.inorgchem.5b02765","","","0.71073","MoKα","","0.0678","0.0473","","","0.1196","0.134","","","","","","1.031","","","","has coordinates","232179","2020-10-21","18:00:00",""
"4347129","12.3868","0.0003","16.7215","0.0005","24.5144","0.0007","72.905","0.003","88.959","0.002","72.706","0.002","4620.5","0.2","234","2","234","2","","","","","","","","10","P -1","-P 1","2","","","","- C57 H70 B2 Cl3 Cu6 F6 N12 P3 S8 W2 -","- C57 H70 B2 Cl3 Cu6 F6 N12 P3 S8 W2 -","- C114 H140 B4 Cl6 Cu12 F12 N24 P6 S16 W4 -","2","1","","Zhao, Xin; Zhou, Feng; Liu, Quan; Chen, Qiu-Fang; Yang, Jun-Yi; Zhang, Wen-Hua; Song, Ying-Lin; Lang, Jian-Ping","Diverse Tp*-Capped W-Cu-S Clusters from One-Pot Assembly Involving in Situ Thiolation of Phosphines.","Inorganic chemistry","2016","55","4","1861","1871","10.1021/acs.inorgchem.5b02765","","","0.71073","MoKα","","0.0796","0.051","","","0.1273","0.1416","","","","","","1.018","","","","has coordinates","232179","2020-10-21","18:00:00",""
"4347130","10.3572","0.0004","14.0594","0.0005","15.5995","0.0012","77.091","0.005","71.087","0.005","71.093","0.003","2015.1","0.2","220","2","220","2","","","","","","","","10","P -1","-P 1","2","","","","- C62 H82 B2 Cl2 Cu4 N14 O2 P2 S8 W2 -","- C62 H82 B2 Cl2 Cu4 N14 O2 P2 S8 W2 -","- C62 H82 B2 Cl2 Cu4 N14 O2 P2 S8 W2 -","1","0.5","","Zhao, Xin; Zhou, Feng; Liu, Quan; Chen, Qiu-Fang; Yang, Jun-Yi; Zhang, Wen-Hua; Song, Ying-Lin; Lang, Jian-Ping","Diverse Tp*-Capped W-Cu-S Clusters from One-Pot Assembly Involving in Situ Thiolation of Phosphines.","Inorganic chemistry","2016","55","4","1861","1871","10.1021/acs.inorgchem.5b02765","","","0.71073","MoKα","","0.104","0.0843","","","0.2248","0.241","","","","","","1.123","","","","has coordinates","232179","2020-10-21","18:00:00",""
"4347131","11.8352","0.0006","13.1013","0.0007","14.2767","0.0006","101.059","0.004","99.45","0.004","108.508","0.005","1999.06","0.19","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C58 H72 B2 Cl4 Cu6 N12 P2 S8 W2 -","- C58 H72 B2 Cl4 Cu6 N12 P2 S8 W2 -","- C58 H72 B2 Cl4 Cu6 N12 P2 S8 W2 -","1","0.5","","Zhao, Xin; Zhou, Feng; Liu, Quan; Chen, Qiu-Fang; Yang, Jun-Yi; Zhang, Wen-Hua; Song, Ying-Lin; Lang, Jian-Ping","Diverse Tp*-Capped W-Cu-S Clusters from One-Pot Assembly Involving in Situ Thiolation of Phosphines.","Inorganic chemistry","2016","55","4","1861","1871","10.1021/acs.inorgchem.5b02765","","","0.71073","MoKα","","0.07","0.0454","","","0.0932","0.1038","","","","","","1.016","","","","has coordinates","232179","2020-10-21","18:00:00",""
"4347132","18.4883","0.0003","18.4883","0.0003","46.7635","0.0015","90","","90","","120","","13843","0.5","285","2","285","2","","","","","","","","11","R -3 :H","-R 3","148","","","","- C133.5 H133 B4 Cl4 Cu12 F6 N24 O0 P7 S24 W4 -","- C133.5 H133 B4 Cl4 Cu12 F6 N24 P7 S24 W4 -","- C400.5 H399 B12 Cl12 Cu36 F18 N72 P21 S72 W12 -","3","0.166667","","Zhao, Xin; Zhou, Feng; Liu, Quan; Chen, Qiu-Fang; Yang, Jun-Yi; Zhang, Wen-Hua; Song, Ying-Lin; Lang, Jian-Ping","Diverse Tp*-Capped W-Cu-S Clusters from One-Pot Assembly Involving in Situ Thiolation of Phosphines.","Inorganic chemistry","2016","55","4","1861","1871","10.1021/acs.inorgchem.5b02765","","","0.71073","MoKα","","0.0673","0.0475","","","0.144","0.1656","","","","","","1.134","","","","has coordinates","232179","2020-10-21","18:00:00",""
"4347133","7.3941","0.0005","7.5001","0.0009","11.5087","0.0009","78.637","0.008","89.655","0.006","72.761","0.009","596.68","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H7 Cu N7 O -","- C10 H7 Cu N7 O -","- C20 H14 Cu2 N14 O2 -","2","1","","Zhang, Xiaoying; Li, Bo; Zhang, Jingping","An Efficient Strategy for Self-Assembly of DNA-Mimic Homochiral 1D Helical Cu(II) Chain from Achiral Flexible Ligand by Spontaneous Resolution.","Inorganic chemistry","2016","55","7","3378","3383","10.1021/acs.inorgchem.5b02785","","","0.71073","MoKα","","0.0389","0.034","","","0.0731","0.0781","","","","","","1.067","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347134","11.6206","0.0004","11.655","0.0005","9.089","0.0003","90","","90.768","0.003","90","","1230.89","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cu N7 O -","- C10 H7 Cu N7 O -","- C40 H28 Cu4 N28 O4 -","4","1","","Zhang, Xiaoying; Li, Bo; Zhang, Jingping","An Efficient Strategy for Self-Assembly of DNA-Mimic Homochiral 1D Helical Cu(II) Chain from Achiral Flexible Ligand by Spontaneous Resolution.","Inorganic chemistry","2016","55","7","3378","3383","10.1021/acs.inorgchem.5b02785","","","0.71073","MoKα","","0.0438","0.0339","","","0.0746","0.0812","","","","","","1.038","","","","has coordinates","232180","2020-10-21","18:00:00",""
"4347135","10.295","0.001","19.769","0.002","10.659","0.001","90","","118.39","","90","","1908.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H33 Cu4 N11 O8 -","- C34 H33 Cu4 N11 O8 -","- C68 H66 Cu8 N22 O16 -","2","1","","Zhang, Xiaoying; Li, Bo; Zhang, Jingping","An Efficient Strategy for Self-Assembly of DNA-Mimic Homochiral 1D Helical Cu(II) Chain from Achiral Flexible Ligand by Spontaneous Resolution.","Inorganic chemistry","2016","55","7","3378","3383","10.1021/acs.inorgchem.5b02785","","","0.71073","MoKα","","0.0635","0.0491","","","0.09","0.0973","","","","","","1.019","","","","has coordinates","232180","2020-10-21","18:00:00",""
"4347136","10.2456","0.0007","19.6746","0.001","10.6121","0.0007","90","0.009","118.41","","90","","1881.5","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H33 Cu4 N11 O8 -","- C34 H33 Cu4 N11 O8 -","- C68 H66 Cu8 N22 O16 -","2","1","","Zhang, Xiaoying; Li, Bo; Zhang, Jingping","An Efficient Strategy for Self-Assembly of DNA-Mimic Homochiral 1D Helical Cu(II) Chain from Achiral Flexible Ligand by Spontaneous Resolution.","Inorganic chemistry","2016","55","7","3378","3383","10.1021/acs.inorgchem.5b02785","","","0.71073","MoKα","","0.0443","0.036","","","0.0657","0.0696","","","","","","1.018","","","","has coordinates","232180","2020-10-21","18:00:00",""
"4347137","22.521","0.018","13.22","0.018","24.87","0.03","90","","90","","90","","7404","15","296","2","296","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C26 H38.4 Cu2 K N8 Na O16.2 -","- C26 H40.4 Cu2 K N8 Na O16.2 -","- C208 H323.2 Cu16 K8 N64 Na8 O129.6 -","8","0.5","","Fernandes, Tamires S.; Vilela, Ramon S.; Valdo, Ana K.; Martins, Felipe T.; García-España, Enrique; Inclán, Mario; Cano, Joan; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Cangussu, Danielle","Dicopper(II) Metallacyclophanes with N,N'-2,6-Pyridinebis(oxamate): Solution Study, Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2016","55","5","2390","2401","10.1021/acs.inorgchem.5b02786","","","0.71073","MoKα","","0.0828","0.0528","","","0.1155","0.1306","","","","","","1.017","","","","has coordinates,has disorder","232181","2020-10-21","18:00:00",""
"4347138","22.407","0.003","15.961","0.002","16.0589","0.0018","90","","116.624","0.002","90","","5134.3","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H62 Cu2 N10 O16 -","- C34 H62 Cu2 N10 O16 -","- C136 H248 Cu8 N40 O64 -","4","0.5","","Fernandes, Tamires S.; Vilela, Ramon S.; Valdo, Ana K.; Martins, Felipe T.; García-España, Enrique; Inclán, Mario; Cano, Joan; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Cangussu, Danielle","Dicopper(II) Metallacyclophanes with N,N'-2,6-Pyridinebis(oxamate): Solution Study, Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2016","55","5","2390","2401","10.1021/acs.inorgchem.5b02786","","","0.71073","MoKα","","0.1214","0.0938","","","0.3062","0.3389","","","","","","1.303","","","","has coordinates,has disorder","232181","2020-10-21","18:00:00",""
"4347139","13.0966","0.0008","21.1127","0.0013","14.9035","0.0008","90","","90","","90","","4120.9","0.4","296","2","296","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C18 H36 Cl2 Cu2 N6 Na6 O27 -","- C18 H36 Cl2 Cu2 N6 Na6 O27 -","- C72 H144 Cl8 Cu8 N24 Na24 O108 -","4","0.5","","Fernandes, Tamires S.; Vilela, Ramon S.; Valdo, Ana K.; Martins, Felipe T.; García-España, Enrique; Inclán, Mario; Cano, Joan; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Cangussu, Danielle","Dicopper(II) Metallacyclophanes with N,N'-2,6-Pyridinebis(oxamate): Solution Study, Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2016","55","5","2390","2401","10.1021/acs.inorgchem.5b02786","","","0.71073","MoKα","","0.0622","0.05","","","0.1362","0.1459","","","","","","1.034","","","","has coordinates","232181","2020-10-21","18:00:00",""
"4347140","16.3918","0.0006","11.3097","0.0005","8.0218","0.0003","90","","90","","90","","1487.13","0.1","193","2","193","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C27 H36 Fe2 N6 S2 -","- C27 H36 Fe2 N6 S2 -","- C54 H72 Fe4 N12 S4 -","2","0.5","","Zhou, Xiaoyuan; Barton, Bryan E.; Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Preparation and Protonation of Fe2(pdt)(CNR)6, Electron-Rich Analogues of Fe2(pdt)(CO)6.","Inorganic chemistry","2016","55","7","3401","3412","10.1021/acs.inorgchem.5b02789","","","0.71073","MoKα","","0.0305","0.0261","","","0.0579","0.0594","","","","","","1.073","","","","has coordinates,has disorder","232182","2020-10-21","18:00:00",""
"4347141","12.0929","0.0006","21.3105","0.0011","17.7067","0.0009","90","","90.5607","0.0017","90","","4562.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H30 Cl6 Fe2 N6 S2 -","- C45 H30 Cl6 Fe2 N6 S2 -","- C180 H120 Cl24 Fe8 N24 S8 -","4","1","","Zhou, Xiaoyuan; Barton, Bryan E.; Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Preparation and Protonation of Fe2(pdt)(CNR)6, Electron-Rich Analogues of Fe2(pdt)(CO)6.","Inorganic chemistry","2016","55","7","3401","3412","10.1021/acs.inorgchem.5b02789","","","0.71073","MoKα","","0.0755","0.0649","","","0.161","0.1704","","","","","","1.088","","","","has coordinates,has disorder","232182","2020-10-21","18:00:00",""
"4347142","40.264","0.004","52.631","0.005","15.3486","0.0016","90","","108.878","0.002","90","","30776","5","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C280 H644 Mn70 O362 -","- C214 H375 Mn70 O258 -","- C428 H750 Mn140 O516 -","2","0.25","","Vinslava, Alina; Tasiopoulos, Anastasios J.; Wernsdorfer, Wolfgang; Abboud, Khalil A.; Christou, George","Molecules at the Quantum-Classical Nanoparticle Interface: Giant Mn70 Single-Molecule Magnets of ∼4 nm Diameter.","Inorganic chemistry","2016","55","7","3419","3430","10.1021/acs.inorgchem.5b02790","","","0.71073","MoKα","","0.1866","0.0694","","","0.1623","0.1891","","","","","","0.712","","","","has coordinates,has disorder","232183","2020-10-21","18:00:00",""
"4347143","40.554","0.004","52.19","0.006","17.1744","0.0019","90","","108.378","0.001","90","","34496","6","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C336 H874 Cl98 Mn70 O360 -","- C204 H334 Cl36 Mn70 O260 -","- C408 H668 Cl72 Mn140 O520 -","2","0.25","","Vinslava, Alina; Tasiopoulos, Anastasios J.; Wernsdorfer, Wolfgang; Abboud, Khalil A.; Christou, George","Molecules at the Quantum-Classical Nanoparticle Interface: Giant Mn70 Single-Molecule Magnets of ∼4 nm Diameter.","Inorganic chemistry","2016","55","7","3419","3430","10.1021/acs.inorgchem.5b02790","","","0.71073","MoKα","","0.11","0.0618","","","0.1722","0.1826","","","","","","0.885","","","","has coordinates,has disorder","232183","2020-10-21","18:00:00",""
"4347144","37.436","0.005","15.966","0.002","25.505","0.004","90","","132.182","0.002","90","","11296","3","185","2","185","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H78 Cl Dy Li N3 O3 Si6 -","- C30 H78 Cl Dy Li N3 O3 Si6 -","- C240 H624 Cl8 Dy8 Li8 N24 O24 Si48 -","8","1","","Zhang, Peng; Jung, Julie; Zhang, Li; Tang, Jinkui; Le Guennic, Boris","Elucidating the Magnetic Anisotropy and Relaxation Dynamics of Low-Coordinate Lanthanide Compounds.","Inorganic chemistry","2016","55","4","1905","1911","10.1021/acs.inorgchem.5b02792","","","0.71073","MoKα","","0.1307","0.0652","","","0.1984","0.2494","","","","","","0.96","","","","has coordinates","232184","2020-10-21","18:00:00",""
"4347145","36.585","0.002","16.1129","0.0009","25.0947","0.0014","90","","131.621","0.001","90","","11058.6","1.1","185","2","185","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H78 Cl Er Li N3 O3 Si6 -","- C30 H78 Cl Er Li N3 O3 Si6 -","- C240 H624 Cl8 Er8 Li8 N24 O24 Si48 -","8","1","","Zhang, Peng; Jung, Julie; Zhang, Li; Tang, Jinkui; Le Guennic, Boris","Elucidating the Magnetic Anisotropy and Relaxation Dynamics of Low-Coordinate Lanthanide Compounds.","Inorganic chemistry","2016","55","4","1905","1911","10.1021/acs.inorgchem.5b02792","","","0.71073","MoKα","","0.0785","0.0589","","","0.1926","0.2164","","","","","","1.085","","","","has coordinates","232184","2020-10-21","18:00:00",""
"4347146","26.3205","0.0009","12.2748","0.0003","19.6085","0.0007","90","","122.972","0.003","90","","5314.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H17.5 Er N0.5 O9 S3 -","- C15 H13 Er O8 S3 -","- C120 H104 Er8 O64 S24 -","8","1","","Wang, Suna; Cao, Tingting; Yan, Hui; Li, Yunwu; Lu, Jing; Ma, Ranran; Li, Dacheng; Dou, Jianmin; Bai, Junfeng","Functionalization of Microporous Lanthanide-Based Metal-Organic Frameworks by Dicarboxylate Ligands with Methyl-Substituted Thieno[2,3-b]thiophene Groups: Sensing Activities and Magnetic Properties.","Inorganic chemistry","2016","55","11","5139","5151","10.1021/acs.inorgchem.5b02801","","","0.71073","MoKα","","0.0505","0.0385","","","0.0945","0.1009","","","","","","1.05","","","","has coordinates,has disorder","232185","2020-10-21","18:00:00",""
"4347147","26.578","0.003","12.4498","0.0009","19.9618","0.0018","90","","122.923","0.002","90","","5544.4","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H17.5 Gd N0.5 O9 S3 -","- C15 H13 Gd O8 S3 -","- C120 H104 Gd8 O64 S24 -","8","1","","Wang, Suna; Cao, Tingting; Yan, Hui; Li, Yunwu; Lu, Jing; Ma, Ranran; Li, Dacheng; Dou, Jianmin; Bai, Junfeng","Functionalization of Microporous Lanthanide-Based Metal-Organic Frameworks by Dicarboxylate Ligands with Methyl-Substituted Thieno[2,3-b]thiophene Groups: Sensing Activities and Magnetic Properties.","Inorganic chemistry","2016","55","11","5139","5151","10.1021/acs.inorgchem.5b02801","","","0.71073","MoKα","","0.1034","0.0862","","","0.2413","0.2527","","","","","","1.101","","","","has coordinates,has disorder","232186","2020-10-21","18:00:00",""
"4347148","25.935","0.003","12.3434","0.0004","22.869","0.002","90","","133.605","0.018","90","","5301.2","1.8","124","3","124","3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 N O9 S3 Tb -","- C20 H24 N O9 S3 Tb -","- C160 H192 N8 O72 S24 Tb8 -","8","1","","Wang, Suna; Cao, Tingting; Yan, Hui; Li, Yunwu; Lu, Jing; Ma, Ranran; Li, Dacheng; Dou, Jianmin; Bai, Junfeng","Functionalization of Microporous Lanthanide-Based Metal-Organic Frameworks by Dicarboxylate Ligands with Methyl-Substituted Thieno[2,3-b]thiophene Groups: Sensing Activities and Magnetic Properties.","Inorganic chemistry","2016","55","11","5139","5151","10.1021/acs.inorgchem.5b02801","","","1.54184","CuKα","","0.0696","0.0542","","","0.132","0.1455","","","","","","1.056","","","","has coordinates,has disorder","232187","2020-10-21","18:00:00",""
"4347149","26.019","0.0013","12.3698","0.0004","19.5603","0.0011","90","","121.672","0.007","90","","5357.9","0.6","121.35","0.1","121.35","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Eu N O9 S3 -","- C20 H24 Eu N O9 S3 -","- C160 H192 Eu8 N8 O72 S24 -","8","1","","Wang, Suna; Cao, Tingting; Yan, Hui; Li, Yunwu; Lu, Jing; Ma, Ranran; Li, Dacheng; Dou, Jianmin; Bai, Junfeng","Functionalization of Microporous Lanthanide-Based Metal-Organic Frameworks by Dicarboxylate Ligands with Methyl-Substituted Thieno[2,3-b]thiophene Groups: Sensing Activities and Magnetic Properties.","Inorganic chemistry","2016","55","11","5139","5151","10.1021/acs.inorgchem.5b02801","","","1.54184","CuKα","","0.0751","0.0618","","","0.151","0.163","","","","","","1.019","","","","has coordinates,has disorder","232188","2020-10-21","18:00:00",""
"4347150","26.333","0.003","12.276","0.0009","19.5387","0.0019","90","","122.809","0.009","90","","5308.6","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H17.5 Dy N0.5 O9 S3 -","- C15 H13 Dy O8 S3 -","- C120 H104 Dy8 O64 S24 -","8","1","","Wang, Suna; Cao, Tingting; Yan, Hui; Li, Yunwu; Lu, Jing; Ma, Ranran; Li, Dacheng; Dou, Jianmin; Bai, Junfeng","Functionalization of Microporous Lanthanide-Based Metal-Organic Frameworks by Dicarboxylate Ligands with Methyl-Substituted Thieno[2,3-b]thiophene Groups: Sensing Activities and Magnetic Properties.","Inorganic chemistry","2016","55","11","5139","5151","10.1021/acs.inorgchem.5b02801","","","0.71073","MoKα","","0.1298","0.1066","","","0.2831","0.3148","","","","","","1.137","","","","has coordinates,has disorder","232189","2020-10-21","18:00:00",""
"4347151","13.1603","0.0002","33.4072","0.0007","42.253","0.0007","90","","98.111","0.002","90","","18390.7","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67.5 H56 Er4 N2.5 O28 S12 -","- C66 H34 Er4 N2 O26 S12 -","- C528 H272 Er32 N16 O208 S96 -","8","1","","Wang, Suna; Cao, Tingting; Yan, Hui; Li, Yunwu; Lu, Jing; Ma, Ranran; Li, Dacheng; Dou, Jianmin; Bai, Junfeng","Functionalization of Microporous Lanthanide-Based Metal-Organic Frameworks by Dicarboxylate Ligands with Methyl-Substituted Thieno[2,3-b]thiophene Groups: Sensing Activities and Magnetic Properties.","Inorganic chemistry","2016","55","11","5139","5151","10.1021/acs.inorgchem.5b02801","","","0.71073","MoKα","","0.0609","0.0448","","","0.1039","0.1119","","","","","","1.039","","","","has coordinates,has disorder","232190","2020-10-21","18:00:00",""
"4347152","8.062","0.0002","14.5888","0.0003","9.274","0.0007","90","","100.895","0.007","90","","1071.1","0.09","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Ir N O3 -","- C10 H10 Ir N O3 -","- C40 H40 Ir4 N4 O12 -","4","1","","Huang, Daria L.; Beltrán-Suito, Rodrigo; Thomsen, Julianne M.; Hashmi, Sara M.; Materna, Kelly L.; Sheehan, Stafford W.; Mercado, Brandon Q.; Brudvig, Gary W.; Crabtree, Robert H.","New Ir Bis-Carbonyl Precursor for Water Oxidation Catalysis.","Inorganic chemistry","2016","55","5","2427","2435","10.1021/acs.inorgchem.5b02809","","","1.54187","CuKα","","0.0752","0.0686","","","0.1927","0.2066","","","","","","1.148","","","","has coordinates","232191","2020-10-21","18:00:00",""
"4347153","8.222","0.0002","8.8397","0.0003","9.5097","0.0007","97.7","0.007","108.239","0.008","90.64","0.006","649.49","0.06","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Ir N O4 -","- C12 H15 Ir N O4 -","- C24 H30 Ir2 N2 O8 -","2","1","","Huang, Daria L.; Beltrán-Suito, Rodrigo; Thomsen, Julianne M.; Hashmi, Sara M.; Materna, Kelly L.; Sheehan, Stafford W.; Mercado, Brandon Q.; Brudvig, Gary W.; Crabtree, Robert H.","New Ir Bis-Carbonyl Precursor for Water Oxidation Catalysis.","Inorganic chemistry","2016","55","5","2427","2435","10.1021/acs.inorgchem.5b02809","","","0.71075","MoKα","","0.0135","0.013","","","0.031","0.0312","","","","","","1.02","","","","has coordinates","232192","2020-10-21","18:00:00",""
"4347154","7.6844","0.0005","8.7792","0.0006","14.3101","0.001","90","","100.349","0.007","90","","949.7","0.11","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 I2 Ir N2 O2 -","- C16 H20 I2 Ir N2 O2 -","- C32 H40 I4 Ir2 N4 O4 -","2","0.5","","Huang, Daria L.; Beltrán-Suito, Rodrigo; Thomsen, Julianne M.; Hashmi, Sara M.; Materna, Kelly L.; Sheehan, Stafford W.; Mercado, Brandon Q.; Brudvig, Gary W.; Crabtree, Robert H.","New Ir Bis-Carbonyl Precursor for Water Oxidation Catalysis.","Inorganic chemistry","2016","55","5","2427","2435","10.1021/acs.inorgchem.5b02809","","","0.71075","MoKα","","0.0378","0.0321","","","0.0615","0.0634","","","","","","1.085","","","","has coordinates","232193","2020-10-21","18:00:00",""
"4347155","14.5029","0.001","16.15","0.0011","22.0822","0.0015","90","","93.455","0.001","90","","5162.7","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H68 Cu P3 S Si -","- C57 H68 Cu P3 S Si -","- C228 H272 Cu4 P12 S4 Si4 -","4","1","","Ferrara, Skylar J.; Wang, Bo; Haas, Elaine; Wright LeBlanc, Karry; Mague, Joel T.; Donahue, James P.","Synthesis and Structures of [LCu(I)(SSi(i)Pr3)] (L = triphos, carbene) and Related Compounds.","Inorganic chemistry","2016","55","18","9173","9177","10.1021/acs.inorgchem.5b02811","","","0.71073","MoKα","","0.0391","0.0321","","","0.087","0.0923","","","","","","1.01","","","","has coordinates","232194","2020-10-21","18:00:00",""
"4347156","9.9391","0.0013","17.044","0.002","12.5225","0.0016","90","","111.329","0.002","90","","1976","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H42 Cu O P3 S2 -","- C43 H42 Cu O P3 S2 -","- C86 H84 Cu2 O2 P6 S4 -","2","1","","Ferrara, Skylar J.; Wang, Bo; Haas, Elaine; Wright LeBlanc, Karry; Mague, Joel T.; Donahue, James P.","Synthesis and Structures of [LCu(I)(SSi(i)Pr3)] (L = triphos, carbene) and Related Compounds.","Inorganic chemistry","2016","55","18","9173","9177","10.1021/acs.inorgchem.5b02811","","","0.71073","MoKα","","0.0674","0.0514","","","0.095","0.1054","","","","","","1.046","","","","has coordinates","232194","2020-10-21","18:00:00",""
"4347157","19.4065","0.0018","10.8938","0.001","15.2754","0.0014","90","","104.834","0.001","90","","3121.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 Cu N2 S Si -","- C30 H45 Cu N2 S Si -","- C120 H180 Cu4 N8 S4 Si4 -","4","1","","Ferrara, Skylar J.; Wang, Bo; Haas, Elaine; Wright LeBlanc, Karry; Mague, Joel T.; Donahue, James P.","Synthesis and Structures of [LCu(I)(SSi(i)Pr3)] (L = triphos, carbene) and Related Compounds.","Inorganic chemistry","2016","55","18","9173","9177","10.1021/acs.inorgchem.5b02811","","","0.71073","MoKα","","0.0372","0.0314","","","0.0823","0.0884","","","","","","1.048","","","","has coordinates","232194","2020-10-21","18:00:00",""
"4347158","8.8709","0.0007","13.4554","0.001","19.1905","0.0015","90","","90","","90","","2290.6","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Cu N2 O S -","- C23 H27 Cu N2 O S -","- C92 H108 Cu4 N8 O4 S4 -","4","1","","Ferrara, Skylar J.; Wang, Bo; Haas, Elaine; Wright LeBlanc, Karry; Mague, Joel T.; Donahue, James P.","Synthesis and Structures of [LCu(I)(SSi(i)Pr3)] (L = triphos, carbene) and Related Compounds.","Inorganic chemistry","2016","55","18","9173","9177","10.1021/acs.inorgchem.5b02811","","","0.71073","MoKα","","0.0388","0.034","","","0.0859","0.0894","","","","","","1.053","","","","has coordinates","232194","2020-10-21","18:00:00",""
"4347159","8.6049","0.0005","16.4121","0.001","18.7144","0.0014","90","","93.721","0.006","90","","2637.4","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 Cl3 N3 Ta -","- C25 H27 Cl3 N3 Ta -","- C100 H108 Cl12 N12 Ta4 -","4","1","","Gómez, Manuel; Hernández-Prieto, Cristina; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Systematic Approach for the Construction of Niobium and Tantalum Sulfide Clusters.","Inorganic chemistry","2016","55","8","3815","3821","10.1021/acs.inorgchem.5b02816","","x-ray","0.71073","MoKα","","0.082","0.0465","","","0.0734","0.0843","","","","","","1.12","","","","has coordinates,has disorder","232195","2020-10-21","18:00:00",""
"4347160","44.196","0.002","12.09","0.004","32.329","0.008","90","","133.014","0.01","90","","12631","6","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H71 Cl4 N8 Nb4 S4 -","- C51 H71 Cl4 N8 Nb4 S4 -","- C408 H568 Cl32 N64 Nb32 S32 -","8","1","","Gómez, Manuel; Hernández-Prieto, Cristina; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Systematic Approach for the Construction of Niobium and Tantalum Sulfide Clusters.","Inorganic chemistry","2016","55","8","3815","3821","10.1021/acs.inorgchem.5b02816","","x-ray","0.71073","MoKα","","0.15","0.0624","","","0.0993","0.1245","","","","","","1.094","","","","has coordinates","232195","2020-10-21","18:00:00",""
"4347161","36.9399","0.0005","36.9399","0.0005","13.2662","0.0004","90","","90","","120","","15677.2","0.6","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H56 Cl4 N8 Nb4 S4 -","- C36 H56 Cl4 N8 Nb4 S4 -","- C324 H504 Cl36 N72 Nb36 S36 -","9","0.5","","Gómez, Manuel; Hernández-Prieto, Cristina; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Systematic Approach for the Construction of Niobium and Tantalum Sulfide Clusters.","Inorganic chemistry","2016","55","8","3815","3821","10.1021/acs.inorgchem.5b02816","","x-ray","0.71073","MoKα","","0.1122","0.0586","","","0.1417","0.1718","","","","","","1.039","","","","has coordinates","232195","2020-10-21","18:00:00",""
"4347162","17.542","0.004","17.542","0.003","23.549","0.003","90","","90","","90","","7247","2","200","2","200","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C36 H56 Cl4 N8 S4 Ta4 -","- C36 H56 Cl4 N8 S4 Ta4 -","- C144 H224 Cl16 N32 S16 Ta16 -","4","0.25","","Gómez, Manuel; Hernández-Prieto, Cristina; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Systematic Approach for the Construction of Niobium and Tantalum Sulfide Clusters.","Inorganic chemistry","2016","55","8","3815","3821","10.1021/acs.inorgchem.5b02816","","x-ray","0.71073","MoKα","","0.0818","0.0458","","","0.0965","0.1306","","","","","","1.167","","","","has coordinates","232195","2020-10-21","18:00:00",""
"4347163","46.828","0.008","46.828","0.008","19.36","0.004","90","","90","","120","","36766","12","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C52 H56 Cl4 N8 Nb4 S4 -","- C52 H56 Cl4 N8 Nb4 S4 -","- C936 H1008 Cl72 N144 Nb72 S72 -","18","1","","Gómez, Manuel; Hernández-Prieto, Cristina; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Systematic Approach for the Construction of Niobium and Tantalum Sulfide Clusters.","Inorganic chemistry","2016","55","8","3815","3821","10.1021/acs.inorgchem.5b02816","","x-ray","0.71073","MoKα","","0.1877","0.0841","","","0.2226","0.2855","","","","","","0.999","","","","has coordinates","232195","2020-10-21","18:00:00",""
"4347164","17.314","0.002","17.829","0.0018","18.0574","0.0018","96.721","0.008","116.837","0.008","114.456","0.008","4198.6","1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H88 Cl4 N8 S4 Ta4 -","- C80 H88 Cl4 N8 S4 Ta4 -","- C160 H176 Cl8 N16 S8 Ta8 -","2","1","","Gómez, Manuel; Hernández-Prieto, Cristina; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Systematic Approach for the Construction of Niobium and Tantalum Sulfide Clusters.","Inorganic chemistry","2016","55","8","3815","3821","10.1021/acs.inorgchem.5b02816","","x-ray","0.71073","MoKα","","0.1379","0.0791","","","0.1564","0.1868","","","","","","1.145","","","","has coordinates","232195","2020-10-21","18:00:00",""
"4347165","23.703","0.003","20.95","0.004","16.548","0.003","90","","134.049","0.008","90","","5906.2","1.9","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 N4 Nb4 S4 -","- C36 H56 N4 Nb4 S4 -","- C144 H224 N16 Nb16 S16 -","4","0.5","","Gómez, Manuel; Hernández-Prieto, Cristina; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Systematic Approach for the Construction of Niobium and Tantalum Sulfide Clusters.","Inorganic chemistry","2016","55","8","3815","3821","10.1021/acs.inorgchem.5b02816","","x-ray","0.71073","MoKα","","0.1361","0.0989","","","0.2168","0.2448","","","","","","1.106","","","","has coordinates","232195","2020-10-21","18:00:00",""
"4347166","15.814","0.003","17.643","0.003","23.43","0.002","90","","102.631","0.009","90","","6378.9","1.7","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H61 Cl N6 Nb4 S4 -","- C41 H61 Cl N6 Nb4 S4 -","- C164 H244 Cl4 N24 Nb16 S16 -","4","0.5","","Gómez, Manuel; Hernández-Prieto, Cristina; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Systematic Approach for the Construction of Niobium and Tantalum Sulfide Clusters.","Inorganic chemistry","2016","55","8","3815","3821","10.1021/acs.inorgchem.5b02816","","x-ray","0.71073","MoKα","","0.1037","0.0658","","","0.1785","0.205","","","","","","1.081","","","","has coordinates,has disorder","232195","2020-10-21","18:00:00",""
"4347167","15.6643","0.0016","17.6372","0.0007","23.3003","0.0017","90","","102.638","0.006","90","","6281.3","0.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H61 Cl N6 S4 Ta4 -","- C41 H61 Cl N6 S4 Ta4 -","- C164 H244 Cl4 N24 S16 Ta16 -","4","0.5","","Gómez, Manuel; Hernández-Prieto, Cristina; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Systematic Approach for the Construction of Niobium and Tantalum Sulfide Clusters.","Inorganic chemistry","2016","55","8","3815","3821","10.1021/acs.inorgchem.5b02816","","x-ray","0.71073","MoKα","","0.1094","0.0646","","","0.1433","0.1661","","","","","","1.064","","","","has coordinates,has disorder","232195","2020-10-21","18:00:00",""
"4347168","10.2877","0.0007","19.4374","0.001","23.946","0.0011","90","","95.177","0.005","90","","4768.9","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C81 H8 Cl10 -","- C81 H8 Cl10 -","- C324 H32 Cl40 -","4","1","","Gao, Cong-Li; Abella, Laura; Tan, Yuan-Zhi; Wu, Xin-Zhou; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","Capturing the Fused-Pentagon C74 by Stepwise Chlorination.","Inorganic chemistry","2016","55","14","6861","6865","10.1021/acs.inorgchem.5b02824","","x-ray","1.54184","CuKα","","0.0804","0.0706","","","0.1905","0.2017","","","","","","1.024","","","","has coordinates","232196","2020-10-21","18:00:00",""
"4347169","9.5464","0.0005","25.5845","0.0012","18.1421","0.0009","90","","90.9118","0.0009","90","","4430.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(mu2-alpha,alpha'-bis((5,7-Dimethyl-1,4,8,11-tetra-azacyclotetradecan-6-yl) -o-xylene))-di-nickel(ii) cyanate clathrate dicyanate perchlorate 2.5 hydrate","","","- C35 H67 Cl N11 Ni2 O9.5 -","- C35 H62 Cl N11 Ni2 O9.5 -","- C140 H248 Cl4 N44 Ni8 O38 -","4","1","","Boiocchi, Massimo; Fabbrizzi, Luigi; Fusco, Nadia; Invernici, Michele; Licchelli, Maurizio; Poggi, Antonio","Anion Binding by Dimetallic Nickel(II) and Nickel(III) Complexes of a Face-to-Face Bicyclam: Looking for a Bimacrocyclic Effect.","Inorganic chemistry","2016","55","6","2946","2959","10.1021/acs.inorgchem.5b02826","","","0.71073","MoKα","","0.0722","0.0507","","","0.1314","0.1483","","","","","","1.016","","","","has coordinates,has disorder","232198","2020-10-21","18:00:00",""
"4347170","15.27","0.002","28.15","0.004","15.629","0.002","90","","105.604","0.002","90","","6470.5","1.5","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C120 H150 Mg N8 O39 -","- C120 H150 Mg N8 O39 -","- C240 H300 Mg2 N16 O78 -","2","1","","Safonova, Evgeniya A.; Martynov, Alexander G.; Nefedov, Sergey E.; Kirakosyan, Gayane A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu","A Molecular Chameleon: Reversible pH- and Cation-Induced Control of the Optical Properties of Phthalocyanine-Based Complexes in the Visible and Near-Infrared Spectral Ranges.","Inorganic chemistry","2016","55","5","2450","2459","10.1021/acs.inorgchem.5b02831","","","0.71073","MoKα","","0.2116","0.0877","","","0.2206","0.2888","","","","","","1.003","","","","has coordinates,has disorder","232200","2020-10-21","18:00:00",""
"4347171","15.3014","0.0019","27.68","0.003","16.636","0.002","90","","105.048","0.002","90","","6804.4","1.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C120 H146 N8 O37 Zn -","- C120 H146 N8 O37 Zn -","- C240 H292 N16 O74 Zn2 -","2","1","","Safonova, Evgeniya A.; Martynov, Alexander G.; Nefedov, Sergey E.; Kirakosyan, Gayane A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu","A Molecular Chameleon: Reversible pH- and Cation-Induced Control of the Optical Properties of Phthalocyanine-Based Complexes in the Visible and Near-Infrared Spectral Ranges.","Inorganic chemistry","2016","55","5","2450","2459","10.1021/acs.inorgchem.5b02831","","","0.71073","MoKα","","0.1802","0.0839","","","0.2112","0.2674","","","","","","0.979","","","","has coordinates","232201","2020-10-21","18:00:00",""
"4347172","18.1274","0.001","15.3414","0.0008","20.7084","0.0011","90","","90.961","0.001","90","","5758.2","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N2 O9 -","- C30 H36 N2 O9 -","- C240 H288 N16 O72 -","8","2","","Safonova, Evgeniya A.; Martynov, Alexander G.; Nefedov, Sergey E.; Kirakosyan, Gayane A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu","A Molecular Chameleon: Reversible pH- and Cation-Induced Control of the Optical Properties of Phthalocyanine-Based Complexes in the Visible and Near-Infrared Spectral Ranges.","Inorganic chemistry","2016","55","5","2450","2459","10.1021/acs.inorgchem.5b02831","","","0.71073","MoKα","","0.0862","0.0612","","","0.1568","0.1768","","","","","","1.023","","","","has coordinates,has disorder","232202","2020-10-21","18:00:00",""
"4347173","17.2405","0.0006","13.6787","0.0005","29.3293","0.0011","90","","93.462","0.001","90","","6904","0.4","298","2","298","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C37 H29.25 F6 N6 O1.13 P Ru -","- C37 H29 F6 N6 O1.0645 P Ru -","- C296 H232 F48 N48 O8.516 P8 Ru8 -","8","2","","Ngo, Ken T.; Lee, Nicholas A.; Pinnace, Sashari D.; Szalda, David J.; Weber, Ralph T.; Rochford, Jonathan","Probing the Noninnocent π-Bonding Influence of N-Carboxyamidoquinolate Ligands on the Light Harvesting and Redox Properties of Ruthenium Polypyridyl Complexes.","Inorganic chemistry","2016","55","5","2460","2472","10.1021/acs.inorgchem.5b02834","","","0.71073","MoKα","","0.0771","0.0442","","","0.0981","0.1144","","","","","","1.038","","","","has coordinates","232203","2020-10-21","18:00:00",""
"4347174","11.5403","0.0002","13.3443","0.0002","18.4371","0.0013","87.308","0.006","88.635","0.006","86.24","0.006","2829.4","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H82 Fe2 N6 Na2 -","- C58 H82 Fe2 N6 Na2 -","- C116 H164 Fe4 N12 Na4 -","2","1","","McWilliams, Sean F.; Rodgers, Kenton R.; Lukat-Rodgers, Gudrun; Mercado, Brandon Q.; Grubel, Katarzyna; Holland, Patrick L.","Alkali Metal Variation and Twisting of the FeNNFe Core in Bridging Diiron Dinitrogen Complexes.","Inorganic chemistry","2016","55","6","2960","2968","10.1021/acs.inorgchem.5b02841","","","1.54187","CuKα","","0.0703","0.0605","","","0.1502","0.1603","","","","","","1.153","","","","has coordinates","232204","2020-10-21","18:00:00",""
"4347175","15.9755","0.0007","18.754","0.0008","21.0976","0.0015","90","","90","","90","","6320.9","0.6","161","2","161","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H92 Fe2 N6 O Rb2 -","- C62 H92 Fe2 N6 O Rb2 -","- C248 H368 Fe8 N24 O4 Rb8 -","4","1","","McWilliams, Sean F.; Rodgers, Kenton R.; Lukat-Rodgers, Gudrun; Mercado, Brandon Q.; Grubel, Katarzyna; Holland, Patrick L.","Alkali Metal Variation and Twisting of the FeNNFe Core in Bridging Diiron Dinitrogen Complexes.","Inorganic chemistry","2016","55","6","2960","2968","10.1021/acs.inorgchem.5b02841","","","0.71075","MoKα","","0.1231","0.0544","","","0.1053","0.1371","","","","","","1.008","","","","has coordinates","232204","2020-10-21","18:00:00",""
"4347176","16.4609","0.0003","16.4609","0.0003","10.6149","0.0008","90","","90","","90","","2876.2","0.2","93","2","93","2","","","","","","","","5","P -4","P -4","81","","","","- C58 H82 Cs2 Fe2 N6 -","- C58 H82 Cs2 Fe2 N6 -","- C116 H164 Cs4 Fe4 N12 -","2","0.5","","McWilliams, Sean F.; Rodgers, Kenton R.; Lukat-Rodgers, Gudrun; Mercado, Brandon Q.; Grubel, Katarzyna; Holland, Patrick L.","Alkali Metal Variation and Twisting of the FeNNFe Core in Bridging Diiron Dinitrogen Complexes.","Inorganic chemistry","2016","55","6","2960","2968","10.1021/acs.inorgchem.5b02841","","","1.54178","CuKα","","0.0779","0.0658","","","0.1646","0.1798","","","","","","1.07","","","","has coordinates,has disorder","232204","2020-10-21","18:00:00",""
"4347177","13.0407","0.0007","14.9265","0.0007","15.1771","0.0011","81.766","0.005","81.724","0.005","77.792","0.004","2837.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H40.5 F12 N13.5 O0 P2 Ru -","- C55 H40.5 F12 N13.5 P2 Ru -","- C110 H81 F24 N27 P4 Ru2 -","2","1","","Elliott, Anastasia B. S.; Lewis, James E. M.; van der Salm, Holly; McAdam, C. John; Crowley, James D.; Gordon, Keith C.","Luminescent Cages: Pendant Emissive Units on [Pd2L4](4+) ""Click"" Cages.","Inorganic chemistry","2016","55","7","3440","3447","10.1021/acs.inorgchem.5b02843","","","1.5418","CuKα","","0.1215","0.0937","","","0.2421","0.2828","","","","","","1.037","","","","has coordinates","232205","2020-10-21","18:00:00",""
"4347178","16.3158","0.0005","21.4147","0.0005","31.441","0.0008","90","","93.394","0.003","90","","10966.2","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H39 F12 N13 P2 Ru -","- C51 H39 F12 N13 P2 Ru -","- C408 H312 F96 N104 P16 Ru8 -","8","1","","Elliott, Anastasia B. S.; Lewis, James E. M.; van der Salm, Holly; McAdam, C. John; Crowley, James D.; Gordon, Keith C.","Luminescent Cages: Pendant Emissive Units on [Pd2L4](4+) ""Click"" Cages.","Inorganic chemistry","2016","55","7","3440","3447","10.1021/acs.inorgchem.5b02843","","","1.5418","CuKα","","0.0963","0.0799","","","0.2242","0.2428","","","","","","1.062","","","","has coordinates,has disorder","232205","2020-10-21","18:00:00",""
"4347179","15.8987","0.0002","27.4992","0.0004","14.3082","0.0002","90","","108.921","0.0018","90","","5917.55","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 Fe2 N10 S4 -","- C44 H42 Fe2 N10 S4 -","- C176 H168 Fe8 N40 S16 -","4","0.5","","Hogue, Ross W.; Feltham, Humphrey L. C.; Miller, Reece G.; Brooker, Sally","Spin Crossover in Dinuclear N4S2 Iron(II) Thioether-Triazole Complexes: Access to [HS-HS], [HS-LS], and [LS-LS] States.","Inorganic chemistry","2016","55","9","4152","4165","10.1021/acs.inorgchem.5b02851","","","0.71073","MoKα","","0.0528","0.0467","","","0.1289","0.1331","","","","","","1.048","","","","has coordinates","232206","2020-10-21","18:00:00",""
"4347180","9.985","0.0002","11.9087","0.0003","15.1801","0.0004","104.568","0.002","97.7804","0.0019","108.767","0.002","1607.39","0.08","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H58.5 B4 F16 Fe2 N12.5 O1.5 S4 -","- C53 H58.5 B4 F16 Fe2 N12.5 O1.5 S4 -","- C53 H58.5 B4 F16 Fe2 N12.5 O1.5 S4 -","1","0.5","","Hogue, Ross W.; Feltham, Humphrey L. C.; Miller, Reece G.; Brooker, Sally","Spin Crossover in Dinuclear N4S2 Iron(II) Thioether-Triazole Complexes: Access to [HS-HS], [HS-LS], and [LS-LS] States.","Inorganic chemistry","2016","55","9","4152","4165","10.1021/acs.inorgchem.5b02851","","","1.54184","CuKα","","0.1219","0.1068","","","0.2665","0.275","","","","","","1.058","","","","has coordinates,has disorder","232206","2020-10-21","18:00:00",""
"4347181","16.0419","0.0006","27.6191","0.0011","14.6634","0.0006","90","","110.472","0.004","90","","6086.5","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H46 Fe2 N10 S4 -","- C46 H46 Fe2 N10 S4 -","- C184 H184 Fe8 N40 S16 -","4","0.5","","Hogue, Ross W.; Feltham, Humphrey L. C.; Miller, Reece G.; Brooker, Sally","Spin Crossover in Dinuclear N4S2 Iron(II) Thioether-Triazole Complexes: Access to [HS-HS], [HS-LS], and [LS-LS] States.","Inorganic chemistry","2016","55","9","4152","4165","10.1021/acs.inorgchem.5b02851","","","0.71073","MoKα","","0.0967","0.0765","","","0.1898","0.2004","","","","","","1.035","","","","has coordinates","232206","2020-10-21","18:00:00",""
"4347182","10.6772","0.0016","24.8009","0.0012","16.296","0.002","90","","134.03","0.03","90","","3102.6","1.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 B4 F16 Fe2 N14 S4 -","- C48 H62 B4 F16 Fe2 N14 S4 -","- C96 H124 B8 F32 Fe4 N28 S8 -","2","0.5","","Hogue, Ross W.; Feltham, Humphrey L. C.; Miller, Reece G.; Brooker, Sally","Spin Crossover in Dinuclear N4S2 Iron(II) Thioether-Triazole Complexes: Access to [HS-HS], [HS-LS], and [LS-LS] States.","Inorganic chemistry","2016","55","9","4152","4165","10.1021/acs.inorgchem.5b02851","","","1.54184","CuKα","","0.1051","0.0731","","","0.175","0.1979","","","","","","1.001","","","","has coordinates,has disorder","232206","2020-10-21","18:00:00",""
"4347183","17.308","0.0008","11.588","0.0005","17.456","0.001","90","","97.762","0.0017","90","","3469","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Moris407","","","- C34 H48 Cl2 Li2 N4 O2 U -","- C34 H48 Cl2 Li2 N4 O2 U -","- C136 H192 Cl8 Li8 N16 O8 U4 -","4","1","","Batrice, Rami J.; Fridman, Natalia; Eisen, Moris S.","Synthesis of Coordinatively Unsaturated Tetravalent Actinide Complexes with η(5) Coordination of Pyrrole.","Inorganic chemistry","2016","55","6","2998","3006","10.1021/acs.inorgchem.5b02853","","","0.71073","MoKα","","0.0892","0.0598","","","0.1315","0.1458","","","","","","1.034","","","","has coordinates","232207","2020-10-21","18:00:00",""
"4347184","8.745","0.018","9.35","0.04","15.89","0.05","74.5","0.03","76.4","0.04","67.87","0.06","1147","7","200","2","200","2","","","","","","","","7","P -1","-P 1","2","Moris393 (Rami)","","","- C28 H40 Cl4 Li2 N2 O3 Th -","- C28 H40 Cl4 Li2 N2 O3 Th -","- C56 H80 Cl8 Li4 N4 O6 Th2 -","2","1","","Batrice, Rami J.; Fridman, Natalia; Eisen, Moris S.","Synthesis of Coordinatively Unsaturated Tetravalent Actinide Complexes with η(5) Coordination of Pyrrole.","Inorganic chemistry","2016","55","6","2998","3006","10.1021/acs.inorgchem.5b02853","","","0.71073","MoKα","","0.0798","0.0775","","","0.1931","0.195","","","","","","1.032","","","","has coordinates","232208","2020-10-21","18:00:00",""
"4347185","20.753","0.004","10.15","0.006","17.081","0.003","90","","98.18","0.013","90","","3561","2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H48 Cl2 Li2 N4 O2 Th -","- C34 H48 Cl2 Li2 N4 O2 Th -","- C136 H192 Cl8 Li8 N16 O8 Th4 -","4","0.5","","Batrice, Rami J.; Fridman, Natalia; Eisen, Moris S.","Synthesis of Coordinatively Unsaturated Tetravalent Actinide Complexes with η(5) Coordination of Pyrrole.","Inorganic chemistry","2016","55","6","2998","3006","10.1021/acs.inorgchem.5b02853","","","0.71073","MoKα","","0.032","0.0295","","","0.0733","0.0746","","","","","","1.094","","","","has coordinates","232209","2020-10-21","18:00:00",""
"4347186","10.26","0.0003","11.209","0.0003","17.849","0.0006","96.878","0.001","99.668","0.001","110.134","0.0016","1864.61","0.1","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H48 Cl4 Li2 N2 O3 U -","- C31 H48 Cl4 Li2 N2 O3 U -","- C62 H96 Cl8 Li4 N4 O6 U2 -","2","1","","Batrice, Rami J.; Fridman, Natalia; Eisen, Moris S.","Synthesis of Coordinatively Unsaturated Tetravalent Actinide Complexes with η(5) Coordination of Pyrrole.","Inorganic chemistry","2016","55","6","2998","3006","10.1021/acs.inorgchem.5b02853","","","0.71073","MoKα","","0.0721","0.0683","","","0.1843","0.1857","","","","","","1.222","","","","has coordinates","232210","2020-10-21","18:00:00",""
"4347187","14.778","0.003","10.573","0.002","17.125","0.004","90","","97.203","0.003","90","","2654.6","1","97","","97","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H32 F16 N4 O8.2 Ru2 -","- C54 H26 F16 N4 O8.2 Ru2 -","- C108 H52 F32 N8 O16.4 Ru4 -","2","0.5","","Nakabayashi, Keita; Nishio, Masaki; Miyasaka, Hitoshi","Tuning of Stepwise Neutral-Ionic Transitions by Acceptor Site Doping in Alternating Donor/Acceptor Chains.","Inorganic chemistry","2016","55","5","2473","2480","10.1021/acs.inorgchem.5b02858","","","0.71075","MoKα","","","0.0348","","","","0.0839","","","","","","1.128","","","","has coordinates","232211","2020-10-21","18:00:00",""
"4347188","14.803","0.002","10.5598","0.0016","17.269","0.003","90","","96.7292","0.0018","90","","2680.8","0.7","97","","97","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H32 F16 N4 O8.4 Ru2 -","- C54 H26 F16 N4 O8.4 Ru2 -","- C108 H52 F32 N8 O16.8 Ru4 -","2","0.5","","Nakabayashi, Keita; Nishio, Masaki; Miyasaka, Hitoshi","Tuning of Stepwise Neutral-Ionic Transitions by Acceptor Site Doping in Alternating Donor/Acceptor Chains.","Inorganic chemistry","2016","55","5","2473","2480","10.1021/acs.inorgchem.5b02858","","","0.71075","MoKα","","0.0314","0.0292","","","0.0694","0.0712","","","","","","1.054","","","","has coordinates","232212","2020-10-21","18:00:00",""
"4347189","14.757","0.004","10.557","0.003","17.121","0.004","90","","96.953","0.003","90","","2647.7","1.2","97","","97","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H32 F16 N4 O8.1 Ru2 -","- C54 H26 F16 N4 O8.1 Ru2 -","- C108 H52 F32 N8 O16.2 Ru4 -","2","0.5","","Nakabayashi, Keita; Nishio, Masaki; Miyasaka, Hitoshi","Tuning of Stepwise Neutral-Ionic Transitions by Acceptor Site Doping in Alternating Donor/Acceptor Chains.","Inorganic chemistry","2016","55","5","2473","2480","10.1021/acs.inorgchem.5b02858","","","0.71075","MoKα","","","0.029","","","","0.0716","","","","","","1.065","","","","has coordinates","232213","2020-10-21","18:00:00",""
"4347190","10.636","0.004","10.845","0.005","15.399","0.006","88.253","0.017","70.49","0.013","88.656","0.017","1673.3","1.2","103","","103","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H52 F16 N4 O10 Ru2 -","- C70 H52 F16 N4 O10 Ru2 -","- C70 H52 F16 N4 O10 Ru2 -","1","0.5","","Nakabayashi, Keita; Nishio, Masaki; Miyasaka, Hitoshi","Tuning of Stepwise Neutral-Ionic Transitions by Acceptor Site Doping in Alternating Donor/Acceptor Chains.","Inorganic chemistry","2016","55","5","2473","2480","10.1021/acs.inorgchem.5b02858","","","0.71075","MoKα","","0.1055","0.0655","","","0.1192","0.1385","","","","","","1.087","","","","has coordinates","232214","2020-10-21","18:00:00",""
"4347191","14.759","0.002","10.5572","0.0017","17.175","0.003","90","","96.876","0.002","90","","2656.9","0.7","97","","97","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H32 F16 N4 O8.3 Ru2 -","- C54 H26 F16 N4 O8.3 Ru2 -","- C108 H52 F32 N8 O16.6 Ru4 -","2","0.5","","Nakabayashi, Keita; Nishio, Masaki; Miyasaka, Hitoshi","Tuning of Stepwise Neutral-Ionic Transitions by Acceptor Site Doping in Alternating Donor/Acceptor Chains.","Inorganic chemistry","2016","55","5","2473","2480","10.1021/acs.inorgchem.5b02858","","","0.71075","MoKα","","0.0421","0.0368","","","0.091","0.0954","","","","","","1.084","","","","has coordinates","232215","2020-10-21","18:00:00",""
"4347192","25.1459","0.0008","20.2059","0.0004","17.8455","0.0005","90","","112.22","0.002","90","","8393.9","0.4","133","2","133","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C30 H37 Cl F12 N6 O5.5 P2 Ru2 S3 -","- C30 H37 Cl F12 N6 O5.5 P2 Ru2 S3 -","- C240 H296 Cl8 F96 N48 O44 P16 Ru16 S24 -","8","1","","Neudeck, Sven; Maji, Somnath; López, Isidoro; Dechert, Sebastian; Benet-Buchholz, Jordi; Llobet, Antoni; Meyer, Franc","Establishing the Family of Diruthenium Water Oxidation Catalysts Based on the Bis(bipyridyl)pyrazolate Ligand System.","Inorganic chemistry","2016","55","5","2508","2521","10.1021/acs.inorgchem.5b02869","","","0.71073","MoKα","","0.0614","0.0424","","","0.093","0.0991","","","","","","1.026","","","","has coordinates,has disorder","232216","2020-10-21","18:00:00",""
"4347193","14.123","0.0008","14.7595","0.0009","14.9169","0.0009","74.376","0.005","81.935","0.005","63.706","0.004","2683.9","0.3","133","2","133","2","","","","","","","","9","P -1","-P 1","2","","","","- C49 H48 Br Cl F12 N10 O3 P2 Ru2 -","- C49 H48 Br Cl F12 N10 O3 P2 Ru2 -","- C98 H96 Br2 Cl2 F24 N20 O6 P4 Ru4 -","2","1","","Neudeck, Sven; Maji, Somnath; López, Isidoro; Dechert, Sebastian; Benet-Buchholz, Jordi; Llobet, Antoni; Meyer, Franc","Establishing the Family of Diruthenium Water Oxidation Catalysts Based on the Bis(bipyridyl)pyrazolate Ligand System.","Inorganic chemistry","2016","55","5","2508","2521","10.1021/acs.inorgchem.5b02869","","","0.71073","MoKα","","0.0733","0.062","","","0.1527","0.1633","","","","","","1.078","","","","has coordinates,has disorder","232216","2020-10-21","18:00:00",""
"4347194","13.5233","0.0008","13.9267","0.0007","14.2648","0.0008","103.815","0.004","113.005","0.004","91.383","0.004","2380.5","0.2","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H37 Br F12 N10 O2 P2 Ru2 -","- C45 H37 Br F12 N10 O2 P2 Ru2 -","- C90 H74 Br2 F24 N20 O4 P4 Ru4 -","2","1","","Neudeck, Sven; Maji, Somnath; López, Isidoro; Dechert, Sebastian; Benet-Buchholz, Jordi; Llobet, Antoni; Meyer, Franc","Establishing the Family of Diruthenium Water Oxidation Catalysts Based on the Bis(bipyridyl)pyrazolate Ligand System.","Inorganic chemistry","2016","55","5","2508","2521","10.1021/acs.inorgchem.5b02869","","","0.71073","MoKα","","0.0814","0.0562","","","0.1267","0.1408","","","","","","1.037","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347195","23.0373","0.0009","17.3666","0.0007","25.5724","0.001","90","","115.005","0.002","90","","9272.1","0.7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43 H38 Cl F12 N10 O1.5 P2 Ru2 -","- C43 H38 Cl F12 N10 O1.5 P2 Ru2 -","- C344 H304 Cl8 F96 N80 O12 P16 Ru16 -","8","1","","Neudeck, Sven; Maji, Somnath; López, Isidoro; Dechert, Sebastian; Benet-Buchholz, Jordi; Llobet, Antoni; Meyer, Franc","Establishing the Family of Diruthenium Water Oxidation Catalysts Based on the Bis(bipyridyl)pyrazolate Ligand System.","Inorganic chemistry","2016","55","5","2508","2521","10.1021/acs.inorgchem.5b02869","","","0.71073","MoKα","","0.0834","0.0606","","","0.1536","0.1798","","","","","","1.073","","","","has coordinates,has disorder","232216","2020-10-21","18:00:00",""
"4347196","23.1051","0.0007","17.5255","0.0005","25.2904","0.0007","90","","114.872","0.002","90","","9291","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 F12 N10 O2 P2 Ru2 -","- C45 H38 F12 N10 O2 P2 Ru2 -","- C360 H304 F96 N80 O16 P16 Ru16 -","8","2","","Neudeck, Sven; Maji, Somnath; López, Isidoro; Dechert, Sebastian; Benet-Buchholz, Jordi; Llobet, Antoni; Meyer, Franc","Establishing the Family of Diruthenium Water Oxidation Catalysts Based on the Bis(bipyridyl)pyrazolate Ligand System.","Inorganic chemistry","2016","55","5","2508","2521","10.1021/acs.inorgchem.5b02869","","","0.71073","MoKα","","0.1544","0.0723","","","0.1714","0.2205","","","","","","1.033","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347197","22.872","0.0013","12.3439","0.0007","20.2201","0.0013","90","","99.156","0.002","90","","5636","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H49 Cl5 F12 N10 O2 P2 Ru2 -","- C49 H49 Cl5 F12 N10 O2 P2 Ru2 -","- C196 H196 Cl20 F48 N40 O8 P8 Ru8 -","4","1","","Neudeck, Sven; Maji, Somnath; López, Isidoro; Dechert, Sebastian; Benet-Buchholz, Jordi; Llobet, Antoni; Meyer, Franc","Establishing the Family of Diruthenium Water Oxidation Catalysts Based on the Bis(bipyridyl)pyrazolate Ligand System.","Inorganic chemistry","2016","55","5","2508","2521","10.1021/acs.inorgchem.5b02869","","","0.71073","MoKα","","0.1254","0.0743","","","0.1976","0.2332","","","","","","1.047","","","","has coordinates,has disorder","232216","2020-10-21","18:00:00",""
"4347198","14.5081","0.0006","14.5081","0.0006","29.8275","0.0016","90","","90","","90","","6278.2","0.5","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C55 H63 F12 N14 O2.5 P2 Ru2 -","- C55 H63 F12 N14 O2.5 P2 Ru2 -","- C220 H252 F48 N56 O10 P8 Ru8 -","4","0.5","","Neudeck, Sven; Maji, Somnath; López, Isidoro; Dechert, Sebastian; Benet-Buchholz, Jordi; Llobet, Antoni; Meyer, Franc","Establishing the Family of Diruthenium Water Oxidation Catalysts Based on the Bis(bipyridyl)pyrazolate Ligand System.","Inorganic chemistry","2016","55","5","2508","2521","10.1021/acs.inorgchem.5b02869","","","0.71073","MoKα","","0.0944","0.0582","","","0.1181","0.1327","","","","","","1.079","","","","has coordinates,has disorder","232216","2020-10-21","18:00:00",""
"4347199","19.194","0.005","9.115","0.005","19.709","0.005","90","0.005","101.926","0.005","90","0.005","3374","2","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 Cl3 Ir N4 O2 S -","- C38 H28 Cl3 Ir N4 O2 S -","- C152 H112 Cl12 Ir4 N16 O8 S4 -","4","1","","Kumar, Sarvendra; Hisamatsu, Yosuke; Tamaki, Yusuke; Ishitani, Osamu; Aoki, Shin","Design and Synthesis of Heteroleptic Cyclometalated Iridium(III) Complexes Containing Quinoline-Type Ligands that Exhibit Dual Phosphorescence.","Inorganic chemistry","2016","55","8","3829","3843","10.1021/acs.inorgchem.5b02872","","","0.71069","MoKα","","0.035","0.0283","","","0.0631","0.0656","","","","","","1.043","","","","has coordinates","232218","2020-10-21","18:00:00",""
"4347200","11.477","0.005","13.075","0.005","13.777","0.005","73.813","0.005","71.921","0.005","66.201","0.005","1770","1.2","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H24 Cl3 F4 Ir N4 O2 S -","- C38 H24 Cl3 F4 Ir N4 O2 S -","- C76 H48 Cl6 F8 Ir2 N8 O4 S2 -","2","1","","Kumar, Sarvendra; Hisamatsu, Yosuke; Tamaki, Yusuke; Ishitani, Osamu; Aoki, Shin","Design and Synthesis of Heteroleptic Cyclometalated Iridium(III) Complexes Containing Quinoline-Type Ligands that Exhibit Dual Phosphorescence.","Inorganic chemistry","2016","55","8","3829","3843","10.1021/acs.inorgchem.5b02872","","","0.71069","MoKα","","0.0499","0.0435","","","0.1096","0.1151","","","","","","1.038","","","","has coordinates","232218","2020-10-21","18:00:00",""
"4347201","10.355","0.005","11.129","0.005","16.199","0.005","85.02","0.005","77.98","0.005","84.218","0.005","1812.4","1.3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H25 F4 Ir N4 O3 S -","- C38 H25 F4 Ir N4 O3 S -","- C76 H50 F8 Ir2 N8 O6 S2 -","2","1","","Kumar, Sarvendra; Hisamatsu, Yosuke; Tamaki, Yusuke; Ishitani, Osamu; Aoki, Shin","Design and Synthesis of Heteroleptic Cyclometalated Iridium(III) Complexes Containing Quinoline-Type Ligands that Exhibit Dual Phosphorescence.","Inorganic chemistry","2016","55","8","3829","3843","10.1021/acs.inorgchem.5b02872","","","0.71069","MoKα","","0.038","0.0336","","","0.0826","0.0844","","","","","","1.042","","","","has coordinates","232218","2020-10-21","18:00:00",""
"4347202","9.75","0.02","9.88","0.02","9.88","0.01","90.36","0.03","92.73","0.03","117.33","0.05","844","3","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cd N O6 -","- C16 H18 Cd N O6 -","- C32 H36 Cd2 N2 O12 -","2","1","","Haldar, Ritesh; Inukai, Munehiro; Horike, Satoshi; Uemura, Kazuhiro; Kitagawa, Susumu; Maji, Tapas Kumar","(113)Cd Nuclear Magnetic Resonance as a Probe of Structural Dynamics in a Flexible Porous Framework Showing Selective O2/N2 and CO2/N2 Adsorption.","Inorganic chemistry","2016","55","9","4166","4172","10.1021/acs.inorgchem.5b02873","","","0.7107","MoKα","","","0.0276","","","","0.0311","","","","","","0.828","","","","has coordinates","232219","2020-10-21","18:00:00",""
"4347203","9.45","0.03","9.75","0.02","10.29","0.02","96.11","0.03","90.4","0.09","116.54","0.08","842","4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cd N O7 -","- C14 H12 Cd N O7 -","- C28 H24 Cd2 N2 O14 -","2","1","","Haldar, Ritesh; Inukai, Munehiro; Horike, Satoshi; Uemura, Kazuhiro; Kitagawa, Susumu; Maji, Tapas Kumar","(113)Cd Nuclear Magnetic Resonance as a Probe of Structural Dynamics in a Flexible Porous Framework Showing Selective O2/N2 and CO2/N2 Adsorption.","Inorganic chemistry","2016","55","9","4166","4172","10.1021/acs.inorgchem.5b02873","","","0.7107","MoKα","","","0.0479","","","","0.0642","","","","","","0.959","","","","has coordinates","232219","2020-10-21","18:00:00",""
"4347204","29.788","0.006","11.995","0.002","22.094","0.004","90","","114.76","0.03","90","","7169","3","195","2","195","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H37 N6 Ni O4 -","- C22 H37 N6 Ni O4 -","- C176 H296 N48 Ni8 O32 -","8","1","","Hyun, Sung-min; Lee, Jae Hwa; Jung, Gwan Yeong; Kim, Yun Kyeong; Kim, Tae Kyung; Jeoung, Sungeun; Kwak, Sang Kyu; Moon, Dohyun; Moon, Hoi Ri","Exploration of Gate-Opening and Breathing Phenomena in a Tailored Flexible Metal-Organic Framework.","Inorganic chemistry","2016","55","4","1920","1925","10.1021/acs.inorgchem.5b02874","","","0.65002","synchrotron","","0.0371","0.0363","","","0.1113","0.112","","","","","","1.029","","","","has coordinates,has disorder","232220","2020-10-21","18:00:00",""
"4347205","29.313","0.006","11.935","0.002","22.254","0.005","90","","114.98","0.03","90","","7057","3","195","2","195","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H48 N9 Ni O5 -","- C28 H48 N9 Ni O5 -","- C224 H384 N72 Ni8 O40 -","8","1","","Hyun, Sung-min; Lee, Jae Hwa; Jung, Gwan Yeong; Kim, Yun Kyeong; Kim, Tae Kyung; Jeoung, Sungeun; Kwak, Sang Kyu; Moon, Dohyun; Moon, Hoi Ri","Exploration of Gate-Opening and Breathing Phenomena in a Tailored Flexible Metal-Organic Framework.","Inorganic chemistry","2016","55","4","1920","1925","10.1021/acs.inorgchem.5b02874","","","0.62998","synchrotron","","0.044","0.0412","","","0.1243","0.127","","","","","","1.051","","","","has coordinates,has disorder","232221","2020-10-21","18:00:00",""
"4347206","21.82","0.004","9.186","0.0018","16.167","0.003","112.32","0.03","101.56","0.03","100.54","0.03","2814.4","1.4","195","2","195","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H74 N12 Ni2 O8 -","- C44 H74 N12 Ni2 O8 -","- C88 H148 N24 Ni4 O16 -","2","1","","Hyun, Sung-min; Lee, Jae Hwa; Jung, Gwan Yeong; Kim, Yun Kyeong; Kim, Tae Kyung; Jeoung, Sungeun; Kwak, Sang Kyu; Moon, Dohyun; Moon, Hoi Ri","Exploration of Gate-Opening and Breathing Phenomena in a Tailored Flexible Metal-Organic Framework.","Inorganic chemistry","2016","55","4","1920","1925","10.1021/acs.inorgchem.5b02874","","","0.79999","synchrotron","","0.1006","0.0821","","","0.2339","0.2532","","","","","","1.058","","","","has coordinates,has disorder","232222","2020-10-21","18:00:00",""
"4347207","10.6113","0.0006","11.9461","0.0007","14.5644","0.0008","81.002","0.003","70.85","0.002","68.847","0.002","1625.04","0.16","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H16 Cl4 F4 Ir N3 O4 -","- C32 H16 Cl4 F4 Ir N3 O4 -","- C64 H32 Cl8 F8 Ir2 N6 O8 -","2","1","","Bejoymohandas, K. S.; Kumar, Ajay; Sreenadh, S.; Varathan, E.; Varughese, S.; Subramanian, V.; Reddy, M. L. P.","A Highly Selective Chemosensor for Cyanide Derived from a Formyl-Functionalized Phosphorescent Iridium(III) Complex.","Inorganic chemistry","2016","55","7","3448","3461","10.1021/acs.inorgchem.5b02885","","","0.71073","MoKα","","0.0591","0.0511","","","0.1359","0.1459","","","","","","1.015","","","","has coordinates,has disorder","232223","2020-10-21","18:00:00",""
"4347208","30.131","0.006","12.795","0.002","24.138","0.005","90","","100.206","0.003","90","","9159","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H55 Cl2 N4 Nb O -","- C45 H55 Cl2 N4 Nb O -","- C360 H440 Cl16 N32 Nb8 O8 -","8","1","","Bortoluzzi, Marco; Ferretti, Eleonora; Marchetti, Fabio; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano","Coordination Compounds of Niobium(IV) Oxide Dihalides Including the Synthesis and the Crystallographic Characterization of NHC Complexes.","Inorganic chemistry","2016","55","9","4173","4182","10.1021/acs.inorgchem.5b02888","","","0.71073","MoKα","","0.1094","0.0742","","","0.2062","0.2383","","","","","","1.033","","","","has coordinates,has disorder","232224","2020-10-21","18:00:00",""
"4347209","21.228","0.003","15.011","0.002","26.045","0.004","90","","90","","90","","8299","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H48 Br2 N4 Nb O -","- C45 H48 Br2 N4 Nb O -","- C360 H384 Br16 N32 Nb8 O8 -","8","1","","Bortoluzzi, Marco; Ferretti, Eleonora; Marchetti, Fabio; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano","Coordination Compounds of Niobium(IV) Oxide Dihalides Including the Synthesis and the Crystallographic Characterization of NHC Complexes.","Inorganic chemistry","2016","55","9","4173","4182","10.1021/acs.inorgchem.5b02888","","","0.71073","MoKα","","0.1063","0.0806","","","0.2408","0.2651","","","","","","1.044","","","","has coordinates","232224","2020-10-21","18:00:00",""
"4347210","11.7798","0.0005","15.9919","0.0009","16.8204","0.0009","93.135","0.002","95.456","0.003","98.989","0.003","3107.8","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H62 Cl8 Co2 N2 P4 S2 -","- C58 H62 Cl8 Co2 N2 P4 S2 -","- C116 H124 Cl16 Co4 N4 P8 S4 -","2","1","","Fliedel, Christophe; Rosa, Vitor; Vileno, Bertrand; Parizel, Nathalie; Choua, Sylvie; Gourlaouen, Christophe; Rosa, Patrick; Turek, Philippe; Braunstein, Pierre","Zwitterionic Cobalt Complexes with Bis(diphenylphosphino)(N-thioether)amine Assembling Ligands: Structural, EPR, Magnetic, and Computational Studies.","Inorganic chemistry","2016","55","9","4183","4198","10.1021/acs.inorgchem.5b02889","","","0.71073","MoKα","","0.1805","0.0873","","","0.1827","0.2396","","","","","","1.045","","","","has coordinates","232225","2020-10-21","18:00:00",""
"4347211","44.4062","0.0017","13.0561","0.0006","22.6438","0.0005","90","","106.959","0.002","90","","12557.3","0.8","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C57 H60 Cl3 Co F6 N2 P5 S2 -","- C57 H60 Cl3 Co F6 N2 P5 S2 -","- C456 H480 Cl24 Co8 F48 N16 P40 S16 -","8","1","","Fliedel, Christophe; Rosa, Vitor; Vileno, Bertrand; Parizel, Nathalie; Choua, Sylvie; Gourlaouen, Christophe; Rosa, Patrick; Turek, Philippe; Braunstein, Pierre","Zwitterionic Cobalt Complexes with Bis(diphenylphosphino)(N-thioether)amine Assembling Ligands: Structural, EPR, Magnetic, and Computational Studies.","Inorganic chemistry","2016","55","9","4183","4198","10.1021/acs.inorgchem.5b02889","","","0.71073","MoKα","","0.1356","0.0875","","","0.2473","0.275","","","","","","1.021","","","","has coordinates,has disorder","232225","2020-10-21","18:00:00",""
"4347212","10.5383","0.0004","11.1199","0.0005","18.1015","0.0009","90","","90","","90","","2121.22","0.16","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H12 Cl3 Co N S -","- C4 H12 Cl3 Co N S -","- C32 H96 Cl24 Co8 N8 S8 -","8","1","","Fliedel, Christophe; Rosa, Vitor; Vileno, Bertrand; Parizel, Nathalie; Choua, Sylvie; Gourlaouen, Christophe; Rosa, Patrick; Turek, Philippe; Braunstein, Pierre","Zwitterionic Cobalt Complexes with Bis(diphenylphosphino)(N-thioether)amine Assembling Ligands: Structural, EPR, Magnetic, and Computational Studies.","Inorganic chemistry","2016","55","9","4183","4198","10.1021/acs.inorgchem.5b02889","","x-ray","0.71073","MoKα","","0.0604","0.0369","","","0.0687","0.0746","","","","","","1.036","","","","has coordinates","232225","2020-10-21","18:00:00",""
"4347213","26.7271","0.0003","18.359","0.0002","28.2564","0.0003","90","","105.792","0.001","90","","13341.6","0.3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C62 H54 Cl Co F6 N2 P5 S2 -","- C62 H54 Cl Co F6 N2 P5 S2 -","- C496 H432 Cl8 Co8 F48 N16 P40 S16 -","8","1","","Fliedel, Christophe; Rosa, Vitor; Vileno, Bertrand; Parizel, Nathalie; Choua, Sylvie; Gourlaouen, Christophe; Rosa, Patrick; Turek, Philippe; Braunstein, Pierre","Zwitterionic Cobalt Complexes with Bis(diphenylphosphino)(N-thioether)amine Assembling Ligands: Structural, EPR, Magnetic, and Computational Studies.","Inorganic chemistry","2016","55","9","4183","4198","10.1021/acs.inorgchem.5b02889","","","0.71073","MoKα","","0.0808","0.0652","","","0.1951","0.2064","","","","","","1.053","","","","has coordinates,has disorder","232225","2020-10-21","18:00:00",""
"4347214","6.944","0.0003","12.4765","0.0005","12.7558","0.0004","69.658","0.002","82.329","0.002","86.36","0.002","1026.75","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 Cl4 Co N2 S2 -","- C14 H20 Cl4 Co N2 S2 -","- C28 H40 Cl8 Co2 N4 S4 -","2","1","","Fliedel, Christophe; Rosa, Vitor; Vileno, Bertrand; Parizel, Nathalie; Choua, Sylvie; Gourlaouen, Christophe; Rosa, Patrick; Turek, Philippe; Braunstein, Pierre","Zwitterionic Cobalt Complexes with Bis(diphenylphosphino)(N-thioether)amine Assembling Ligands: Structural, EPR, Magnetic, and Computational Studies.","Inorganic chemistry","2016","55","9","4183","4198","10.1021/acs.inorgchem.5b02889","","","0.71073","MoKα","","0.0544","0.0365","","","0.0864","0.096","","","","","","1.054","","","","has coordinates","232225","2020-10-21","18:00:00",""
"4347215","12.1774","0.0004","15.975","0.0004","16.2155","0.0005","98.646","0.002","110.634","0.002","90.728","0.002","2911.2","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H58 Cl5 Co2 N2 P4 S2 -","- C56 H58 Cl5 Co2 N2 P4 S2 -","- C112 H116 Cl10 Co4 N4 P8 S4 -","2","1","","Fliedel, Christophe; Rosa, Vitor; Vileno, Bertrand; Parizel, Nathalie; Choua, Sylvie; Gourlaouen, Christophe; Rosa, Patrick; Turek, Philippe; Braunstein, Pierre","Zwitterionic Cobalt Complexes with Bis(diphenylphosphino)(N-thioether)amine Assembling Ligands: Structural, EPR, Magnetic, and Computational Studies.","Inorganic chemistry","2016","55","9","4183","4198","10.1021/acs.inorgchem.5b02889","","x-ray","0.71073","MoKα","","0.0777","0.0446","","","0.0892","0.101","","","","","","1.028","","","","has coordinates","232225","2020-10-21","18:00:00",""
"4347216","13.546","0.0002","29.8914","0.0004","20.3913","0.0003","90","","119.535","0.001","90","","7183.71","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H66 Cl8 Co2 N3 P4 S3 -","- C70 H66 Cl8 Co2 N3 P4 S3 -","- C280 H264 Cl32 Co8 N12 P16 S12 -","4","1","","Fliedel, Christophe; Rosa, Vitor; Vileno, Bertrand; Parizel, Nathalie; Choua, Sylvie; Gourlaouen, Christophe; Rosa, Patrick; Turek, Philippe; Braunstein, Pierre","Zwitterionic Cobalt Complexes with Bis(diphenylphosphino)(N-thioether)amine Assembling Ligands: Structural, EPR, Magnetic, and Computational Studies.","Inorganic chemistry","2016","55","9","4183","4198","10.1021/acs.inorgchem.5b02889","","x-ray","0.71073","MoKα","","0.1149","0.0581","","","0.1494","0.1786","","","","","","0.97","","","","has coordinates,has disorder","232225","2020-10-21","18:00:00",""
"4347217","13.2122","0.0005","28.5949","0.0015","12.4314","0.0007","90","","117.855","0.005","90","","4152.4","0.4","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 F12 N8 P2 Ru -","- C42 H28 F12 N8 P2 Ru -","- C168 H112 F48 N32 P8 Ru4 -","4","1","","Jarenmark, Martin; Carlström, Göran; Fredin, Lisa A.; Hedberg Wallenstein, Joachim; Doverbratt, Isa; Abrahamsson, Maria; Persson, Petter","Diastereomerization Dynamics of a Bistridentate Ru(II) Complex.","Inorganic chemistry","2016","55","6","3015","3022","10.1021/acs.inorgchem.5b02893","","x-ray","0.7107","MoKα","","0.3028","0.1057","","","0.2532","0.3427","","","","1.92","1.92","1.19","","","","has coordinates","232226","2020-10-21","18:00:00",""
"4347218","21.4976","0.0015","13.0927","0.0009","27.0195","0.0018","90","","90","","90","","7605","0.9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H54 B F5 N4 O V -","- C36 H39 B F5 N4 O V -","- C288 H312 B8 F40 N32 O8 V8 -","8","1","","Passadis, Stamatis S.; Tsiafoulis, Constantinos; Drouza, Chryssoula; Tsipis, Athanassios C.; Miras, Haralampos N.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.","Synthesis, Bonding, and Reactivity of Vanadium(IV) Oxido-Fluorido Compounds with Neutral Chelate Ligands of the General Formula cis-[V(IV)(═O)(F)(L(N-N))2](+).","Inorganic chemistry","2016","55","4","1364","1366","10.1021/acs.inorgchem.5b02895","","","0.71073","MoKα","","0.1253","0.0724","","","0.1859","0.2332","","","","","","1.048","","","","has coordinates,has disorder","232227","2020-10-21","18:00:00",""
"4347219","8.1049","0.0003","10.4872","0.0004","13.8978","0.0006","84.346","0.003","75.05","0.004","89.048","0.003","1135.7","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 F7 N4 O2 Sb V -","- C20 H18 F7 N4 O2 Sb V -","- C40 H36 F14 N8 O4 Sb2 V2 -","2","1","","Passadis, Stamatis S.; Tsiafoulis, Constantinos; Drouza, Chryssoula; Tsipis, Athanassios C.; Miras, Haralampos N.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.","Synthesis, Bonding, and Reactivity of Vanadium(IV) Oxido-Fluorido Compounds with Neutral Chelate Ligands of the General Formula cis-[V(IV)(═O)(F)(L(N-N))2](+).","Inorganic chemistry","2016","55","4","1364","1366","10.1021/acs.inorgchem.5b02895","","","0.71073","MoKα","","0.0495","0.0392","","","0.0857","0.0938","","","","","","1.061","","","","has coordinates","232228","2020-10-21","18:00:00",""
"4347220","14.336","0.0003","14.4049","0.0003","25.3801","0.0004","76.5352","0.0014","78.48","0.0014","65.626","0.0019","4610.97","0.17","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C110 H130 Br2 Fe2 O5 -","- C110 H130 Br2 Fe2 O5 -","- C220 H260 Br4 Fe4 O10 -","2","1","","Chakraborty, Uttam; Modl, Moritz; Mühldorf, Bernd; Bodensteiner, Michael; Demeshko, Serhiy; van Velzen, Niels J. C.; Scheer, Manfred; Harder, Sjoerd; Wolf, Robert","Pentaarylcyclopentadienyl Iron, Cobalt, and Nickel Halides.","Inorganic chemistry","2016","55","6","3065","3074","10.1021/acs.inorgchem.5b02896","","x-ray","1.54184","CuKα","","0.057","0.0445","","","0.1261","0.1322","","","","","","1","","","","has coordinates,has disorder","232229","2020-10-21","18:00:00",""
"4347221","12.4894","0.0005","13.938","0.0008","14.1966","0.0006","92.656","0.004","114.368","0.004","116.014","0.005","1943.5","0.2","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C97 H98 Br2 Fe2 -","- C97 H98 Br2 Fe2 -","- C97 H98 Br2 Fe2 -","1","0.5","","Chakraborty, Uttam; Modl, Moritz; Mühldorf, Bernd; Bodensteiner, Michael; Demeshko, Serhiy; van Velzen, Niels J. C.; Scheer, Manfred; Harder, Sjoerd; Wolf, Robert","Pentaarylcyclopentadienyl Iron, Cobalt, and Nickel Halides.","Inorganic chemistry","2016","55","6","3065","3074","10.1021/acs.inorgchem.5b02896","","x-ray","0.71073","MoKα","","0.065","0.0434","","","0.0927","0.1018","","","","","","1.046","","","","has coordinates,has disorder","232229","2020-10-21","18:00:00",""
"4347222","13.9761","0.0004","15.3878","0.0003","18.3949","0.0004","99.1979","0.0018","101.964","0.002","97.895","0.002","3760.33","0.16","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C92 H94 Br2 Co2 O0.5 -","- C92 H94 Br2 Co2 O0.5 -","- C184 H188 Br4 Co4 O -","2","1","","Chakraborty, Uttam; Modl, Moritz; Mühldorf, Bernd; Bodensteiner, Michael; Demeshko, Serhiy; van Velzen, Niels J. C.; Scheer, Manfred; Harder, Sjoerd; Wolf, Robert","Pentaarylcyclopentadienyl Iron, Cobalt, and Nickel Halides.","Inorganic chemistry","2016","55","6","3065","3074","10.1021/acs.inorgchem.5b02896","","x-ray","1.54184","CuKα","","0.0587","0.054","","","0.1457","0.1512","","","","","","1.012","","","","has coordinates,has disorder","232229","2020-10-21","18:00:00",""
"4347223","12.3278","0.0006","14.0042","0.0006","14.1264","0.0006","93.205","0.004","115.813","0.004","116.063","0.004","1877.8","0.2","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C45 H45 Br0.99 Ni -","- C45 H45 Br0.9903 Ni -","- C90 H90 Br1.9806 Ni2 -","2","1","","Chakraborty, Uttam; Modl, Moritz; Mühldorf, Bernd; Bodensteiner, Michael; Demeshko, Serhiy; van Velzen, Niels J. C.; Scheer, Manfred; Harder, Sjoerd; Wolf, Robert","Pentaarylcyclopentadienyl Iron, Cobalt, and Nickel Halides.","Inorganic chemistry","2016","55","6","3065","3074","10.1021/acs.inorgchem.5b02896","","x-ray","1.54184","CuKα","","0.0518","0.0472","","","0.132","0.1381","","","","","","1.039","","","","has coordinates,has disorder","232229","2020-10-21","18:00:00",""
"4347224","13.41135","0.00016","22.5367","0.0003","31.9869","0.0004","90","","90.0983","0.001","90","","9667.9","0.2","123","1","123","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C110 H130 Br2 Ni2 -","- C110 H130 Br2 Ni2 -","- C440 H520 Br8 Ni8 -","4","1","","Chakraborty, Uttam; Modl, Moritz; Mühldorf, Bernd; Bodensteiner, Michael; Demeshko, Serhiy; van Velzen, Niels J. C.; Scheer, Manfred; Harder, Sjoerd; Wolf, Robert","Pentaarylcyclopentadienyl Iron, Cobalt, and Nickel Halides.","Inorganic chemistry","2016","55","6","3065","3074","10.1021/acs.inorgchem.5b02896","","x-ray","1.54184","CuKα","","0.0554","0.0455","","","0.116","0.1237","","","","","","1.024","","","","has coordinates,has disorder","232229","2020-10-21","18:00:00",""
"4347225","14.1662","0.0005","25.8886","0.0009","13.6321","0.0004","90","","102.501","0.003","90","","4881","0.3","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H65 Co I2 -","- C55 H65 Co I2 -","- C220 H260 Co4 I8 -","4","1","","Chakraborty, Uttam; Modl, Moritz; Mühldorf, Bernd; Bodensteiner, Michael; Demeshko, Serhiy; van Velzen, Niels J. C.; Scheer, Manfred; Harder, Sjoerd; Wolf, Robert","Pentaarylcyclopentadienyl Iron, Cobalt, and Nickel Halides.","Inorganic chemistry","2016","55","6","3065","3074","10.1021/acs.inorgchem.5b02896","","x-ray","1.54184","CuKα","","0.0616","0.0522","","","0.137","0.1462","","","","","","1.034","","","","has coordinates,has disorder","232229","2020-10-21","18:00:00",""
"4347226","14.11866","0.00012","25.8867","0.0002","13.67535","0.00012","90","","102.55","0.0009","90","","4878.72","0.07","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H65 I2 Ni -","- C55 H65 I2 Ni -","- C220 H260 I8 Ni4 -","4","1","","Chakraborty, Uttam; Modl, Moritz; Mühldorf, Bernd; Bodensteiner, Michael; Demeshko, Serhiy; van Velzen, Niels J. C.; Scheer, Manfred; Harder, Sjoerd; Wolf, Robert","Pentaarylcyclopentadienyl Iron, Cobalt, and Nickel Halides.","Inorganic chemistry","2016","55","6","3065","3074","10.1021/acs.inorgchem.5b02896","","x-ray","1.54184","CuKα","","0.0299","0.0283","","","0.0762","0.0779","","","","","","1.043","","","","has coordinates,has disorder","232229","2020-10-21","18:00:00",""
"4347227","25.3629","0.003","15.1841","0.0016","19.8128","0.0025","90","","95.0798","0.0034","90","","7600.2","1.5","120","2","120","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Sc2O@C82/NiOEP/0.90(bz)0.10(CF)","","","- C123.5 H49.5 Cl0.25 N4 Ni O Sc2 -","- C123.785 H49.616 Cl0.384 N4 Ni O0.994 Sc1.998 -","- C495.14 H198.464 Cl1.536 N16 Ni4 O3.976 Sc7.992 -","4","0.5","","Tang, Qiangqiang; Abella, Laura; Hao, Yajuan; Li, Xiaohong; Wan, Yingbo; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Feng, Lai; Chen, Ning","Sc2O@C(3v)(8)-C82: A Missing Isomer of Sc2O@C82.","Inorganic chemistry","2016","55","4","1926","1933","10.1021/acs.inorgchem.5b02901","","","0.71073","MoKα","","0.1171","0.1065","","","0.3397","0.3505","","","","","","1.669","","","","has coordinates,has disorder","232230","2020-10-21","18:00:00",""
"4347228","11.7951","0.0006","27.9283","0.0013","23.3331","0.0012","90","","100.952","0.003","90","","7546.3","0.7","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H42 Cl2 N12 O8 Ru2 -","- C60 H42 Cl2 N12 O8 Ru2 -","- C240 H168 Cl8 N48 O32 Ru8 -","4","1","","Mardanya, Sourav; Karmakar, Srikanta; Mondal, Debiprasad; Baitalik, Sujoy","Homo- and Heterobimetallic Ruthenium(II) and Osmium(II) Complexes Based on a Pyrene-Biimidazolate Spacer as Efficient DNA-Binding Probes in the Near-Infrared Domain.","Inorganic chemistry","2016","55","7","3475","3489","10.1021/acs.inorgchem.5b02912","","","0.71073","MoKα","","0.1446","0.0831","","","0.2121","0.2363","","","","","","1.029","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347229","11.808","0.0004","27.8673","0.0009","23.4456","0.0008","90","","101.537","0.002","90","","7559.1","0.4","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H50 Cl2 N12 O8 Os2 -","- C67 H50 Cl2 N12 O8 Os2 -","- C268 H200 Cl8 N48 O32 Os8 -","4","1","","Mardanya, Sourav; Karmakar, Srikanta; Mondal, Debiprasad; Baitalik, Sujoy","Homo- and Heterobimetallic Ruthenium(II) and Osmium(II) Complexes Based on a Pyrene-Biimidazolate Spacer as Efficient DNA-Binding Probes in the Near-Infrared Domain.","Inorganic chemistry","2016","55","7","3475","3489","10.1021/acs.inorgchem.5b02912","","","0.71073","MoKα","","0.1383","0.0616","","","0.1267","0.1438","","","","","","0.941","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347230","10.968","0.002","12.2031","0.0014","14.366","0.002","90","","110.304","0.013","90","","1803.3","0.5","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 Cu2 N6 O8 -","- C20 H10 Cu2 N6 O8 -","- C40 H20 Cu4 N12 O16 -","2","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.0728","0.0517","","","0.1225","0.1284","","","","","","0.844","","","","has coordinates","232232","2020-10-21","18:00:00",""
"4347231","10.8587","0.0012","12.7859","0.0016","14.0255","0.0016","90","","110.508","0.008","90","","1823.9","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cu2 N6 O8 -","- C22 H14 Cu2 N6 O8 -","- C44 H28 Cu4 N12 O16 -","2","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.0713","0.0585","","","0.1538","0.1597","","","","","","0.997","","","","has coordinates,has disorder","232232","2020-10-21","18:00:00",""
"4347232","10.877","0.0017","12.579","0.002","14.114","0.002","90","","110.02","0.02","90","","1814.4","0.5","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cu2 N6 O8 -","- C26 H22 Cu2 N6 O8 -","- C52 H44 Cu4 N12 O16 -","2","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.087","0.0674","","","0.1795","0.1886","","","","","","0.957","","","","has coordinates","232232","2020-10-21","18:00:00",""
"4347233","12.9873","0.0013","14.0621","0.001","20.4039","0.0016","90","","90","","90","","3726.3","0.5","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H14 Cu2 N6 O8 -","- C22 H14 Cu2 N6 O8 -","- C88 H56 Cu8 N24 O32 -","4","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.0531","0.0417","","","0.1137","0.1179","","","","","","0.943","","","","has coordinates,has disorder","232232","2020-10-21","18:00:00",""
"4347234","13.4593","0.001","13.2047","0.0012","20.1844","0.0019","90","","90","","90","","3587.3","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 Cu2 N6 O8 -","- C24 H18 Cu2 N6 O8 -","- C96 H72 Cu8 N24 O32 -","4","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.059","0.0395","","","0.0991","0.1051","","","","","","0.906","","","","has coordinates,has disorder","232232","2020-10-21","18:00:00",""
"4347235","13.4006","0.0011","13.3794","0.0008","20.2814","0.0012","90","","90","","90","","3636.3","0.4","213","2","213","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 Cu2 N6 O8 -","- C24 H18 Cu2 N6 O8 -","- C96 H72 Cu8 N24 O32 -","4","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.038","0.0313","","","0.0936","0.0959","","","","","","0.973","","","","has coordinates","232232","2020-10-21","18:00:00",""
"4347236","13.4952","0.0007","13.2445","0.0006","20.4401","0.0014","90","","90","","90","","3653.4","0.4","213","2","213","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 N6 O8 Zn2 -","- C24 H18 N6 O8 Zn2 -","- C96 H72 N24 O32 Zn8 -","4","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.039","0.0265","","","0.0695","0.0731","","","","","","0.874","","","","has coordinates","232232","2020-10-21","18:00:00",""
"4347237","13.4344","0.0009","13.3485","0.001","20.181","0.0018","90","","90","","90","","3619","0.5","213","2","213","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H22 Cu2 N6 O8 -","- C26 H22 Cu2 N6 O8 -","- C104 H88 Cu8 N24 O32 -","4","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.0478","0.0275","","","0.0586","0.061","","","","","","0.818","","","","has coordinates","232232","2020-10-21","18:00:00",""
"4347238","13.5632","0.001","13.3371","0.001","20.337","0.002","90","","90","","90","","3678.8","0.5","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H22 N6 O8 Zn2 -","- C26 H22 N6 O8 Zn2 -","- C104 H88 N24 O32 Zn8 -","4","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.0689","0.0438","","","0.1017","0.1073","","","","","","0.861","","","","has coordinates","232232","2020-10-21","18:00:00",""
"4347239","13.3344","0.0015","13.6545","0.0014","20.0416","0.0017","90","","90","","90","","3649.1","0.6","213","2","213","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H26 Cu2 N6 O8 -","- C28 H26 Cu2 N6 O8 -","- C112 H104 Cu8 N24 O32 -","4","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.0541","0.037","","","0.0972","0.1028","","","","","","0.941","","","","has coordinates","232232","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",""
"4347241","8.684","0.005","11.159","0.007","12.417","0.008","100.631","0.006","104.252","0.005","106.424","0.006","1076.1","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 N6 O3 Re -","- C24 H15 N6 O3 Re -","- C48 H30 N12 O6 Re2 -","2","1","","Crandall, Laura A.; Bogdanowicz, Catherine A.; Hasheminasab, Abed; Chanawanno, Kullapa; Herrick, Richard S.; Ziegler, Christopher J.","Re(CO)3-Templated Formation of Aza(dibenzo)dipyrromethenes.","Inorganic chemistry","2016","55","7","3209","3211","10.1021/acs.inorgchem.5b02934","","","0.71073","MoKα","","0.0444","0.0374","","","0.0925","0.0953","","","","","","1.074","","","","has coordinates","232234","2020-10-21","18:00:00",""
"4347242","8.665","0.009","11.112","0.011","12.398","0.013","101.448","0.011","104.233","0.011","105.919","0.011","1066.5","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H13 N4 O5 Re -","- C24 H13 N4 O5 Re -","- C48 H26 N8 O10 Re2 -","2","1","","Crandall, Laura A.; Bogdanowicz, Catherine A.; Hasheminasab, Abed; Chanawanno, Kullapa; Herrick, Richard S.; Ziegler, Christopher J.","Re(CO)3-Templated Formation of Aza(dibenzo)dipyrromethenes.","Inorganic chemistry","2016","55","7","3209","3211","10.1021/acs.inorgchem.5b02934","","","0.71073","MoKα","","0.0492","0.0427","","","0.1051","0.1097","","","","","","1.022","","","","has coordinates","232234","2020-10-21","18:00:00",""
"4347243","8.4924","0.0003","13.9775","0.0005","18.5942","0.0006","81.245","0.002","86.66","0.002","79.716","0.002","2145.32","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 N7 O3 Re -","- C23 H16 N7 O3 Re -","- C92 H64 N28 O12 Re4 -","4","2","","Crandall, Laura A.; Bogdanowicz, Catherine A.; Hasheminasab, Abed; Chanawanno, Kullapa; Herrick, Richard S.; Ziegler, Christopher J.","Re(CO)3-Templated Formation of Aza(dibenzo)dipyrromethenes.","Inorganic chemistry","2016","55","7","3209","3211","10.1021/acs.inorgchem.5b02934","","","0.71073","MoKα","","0.046","0.0423","","","0.107","0.1099","","","","","","0.985","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4347244","8.465","0.0008","13.9288","0.0014","18.5502","0.0019","81.483","0.004","86.727","0.004","79.797","0.004","2127.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 N6 O4 Re -","- C23 H15 N6 O4 Re -","- C92 H60 N24 O16 Re4 -","4","2","","Crandall, Laura A.; Bogdanowicz, Catherine A.; Hasheminasab, Abed; Chanawanno, Kullapa; Herrick, Richard S.; Ziegler, Christopher J.","Re(CO)3-Templated Formation of Aza(dibenzo)dipyrromethenes.","Inorganic chemistry","2016","55","7","3209","3211","10.1021/acs.inorgchem.5b02934","","","0.71073","MoKα","","0.0474","0.0363","","","0.0932","0.1046","","","","","","1.018","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4347245","8.4859","0.0005","11.232","0.0006","22.2437","0.0013","90","","97.282","0.002","90","","2103","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H14 N5 O5 Re -","- C23 H14 N5 O5 Re -","- C92 H56 N20 O20 Re4 -","4","1","","Crandall, Laura A.; Bogdanowicz, Catherine A.; Hasheminasab, Abed; Chanawanno, Kullapa; Herrick, Richard S.; Ziegler, Christopher J.","Re(CO)3-Templated Formation of Aza(dibenzo)dipyrromethenes.","Inorganic chemistry","2016","55","7","3209","3211","10.1021/acs.inorgchem.5b02934","","","0.71073","MoKα","","0.0268","0.0223","","","0.0437","0.045","","","","","","1.28","","","","has coordinates","232234","2020-10-21","18:00:00",""
"4347246","5.794","0.013","12.06","0.03","16.07","0.04","111.24","0.12","92.08","0.09","93.43","0.11","1043","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 Fe2 S2 -","- C24 H26 Fe2 S2 -","- C48 H52 Fe4 S4 -","2","1","","Lewtak, Jan P.; Landman, Marilé; Fernández, Israel; Swarts, Jannie C.","A DFT-Elucidated Comparison of the Solution-Phase and SAM Electrochemical Properties of Short-Chain Mercaptoalkylferrocenes: Synthetic and Spectroscopic Aspects, and the Structure of Fc-CH2CH2-S-S-CH2CH2-Fc.","Inorganic chemistry","2016","55","5","2584","2596","10.1021/acs.inorgchem.5b02936","","","0.71073","","","0.0588","0.0553","","","0.1464","0.1497","","","","","","1.035","","","","has coordinates","232235","2020-10-21","18:00:00",""
"4347247","9.221","0.0009","7.9281","0.0008","23.284","0.002","90","","95.854","0.004","90","","1693.3","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl N2 O5 Re -","- C18 H16 Cl N2 O5 Re -","- C72 H64 Cl4 N8 O20 Re4 -","4","1","","Liu, Jinyong; Wu, Dimao; Su, Xiaoge; Han, Mengwei; Kimura, Susana Y.; Gray, Danielle L.; Shapley, John R.; Abu-Omar, Mahdi M; Werth, Charles J.; Strathmann, Timothy J.","Configuration Control in the Synthesis of Homo- and Heteroleptic Bis(oxazolinylphenolato/thiazolinylphenolato) Chelate Ligand Complexes of Oxorhenium(V): Isomer Effect on Ancillary Ligand Exchange Dynamics and Implications for Perchlorate Reduction Catalysis.","Inorganic chemistry","2016","55","5","2597","2611","10.1021/acs.inorgchem.5b02940","","","0.71073","MoKα","","0.0299","0.0285","","","0.0586","0.059","","","","","","1.379","","","","has coordinates","232236","2020-10-21","18:00:00",""
"4347248","17.5402","0.0006","7.427","0.0002","19.393","0.0006","90","","110.2","0.001","90","","2370.96","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl N2 O5 Re -","- C25 H24 Cl N2 O5 Re -","- C100 H96 Cl4 N8 O20 Re4 -","4","1","","Liu, Jinyong; Wu, Dimao; Su, Xiaoge; Han, Mengwei; Kimura, Susana Y.; Gray, Danielle L.; Shapley, John R.; Abu-Omar, Mahdi M; Werth, Charles J.; Strathmann, Timothy J.","Configuration Control in the Synthesis of Homo- and Heteroleptic Bis(oxazolinylphenolato/thiazolinylphenolato) Chelate Ligand Complexes of Oxorhenium(V): Isomer Effect on Ancillary Ligand Exchange Dynamics and Implications for Perchlorate Reduction Catalysis.","Inorganic chemistry","2016","55","5","2597","2611","10.1021/acs.inorgchem.5b02940","","","1.54178","CuKα","","0.0217","0.0214","","","0.0554","0.0557","","","","","","1.138","","","","has coordinates","232236","2020-10-21","18:00:00",""
"4347249","9.8742","0.0008","15.0566","0.0012","13.6439","0.0011","90","","90.136","0.001","90","","2028.5","0.3","188","2","188","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl3 N2 O5 Re -","- C18 H18 Cl3 N2 O5 Re -","- C72 H72 Cl12 N8 O20 Re4 -","4","1","","Liu, Jinyong; Wu, Dimao; Su, Xiaoge; Han, Mengwei; Kimura, Susana Y.; Gray, Danielle L.; Shapley, John R.; Abu-Omar, Mahdi M; Werth, Charles J.; Strathmann, Timothy J.","Configuration Control in the Synthesis of Homo- and Heteroleptic Bis(oxazolinylphenolato/thiazolinylphenolato) Chelate Ligand Complexes of Oxorhenium(V): Isomer Effect on Ancillary Ligand Exchange Dynamics and Implications for Perchlorate Reduction Catalysis.","Inorganic chemistry","2016","55","5","2597","2611","10.1021/acs.inorgchem.5b02940","","","0.71073","MoKα","","0.0164","0.0152","","","0.0366","0.0372","","","","","","1.052","","","","has coordinates","232236","2020-10-21","18:00:00",""
"4347250","9.4422","0.0008","8.0051","0.0007","24.614","0.002","90","","93.041","0.003","90","","1857.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl N2 O3 Re S2 -","- C18 H16 Cl N2 O3 Re S2 -","- C72 H64 Cl4 N8 O12 Re4 S8 -","4","1","","Liu, Jinyong; Wu, Dimao; Su, Xiaoge; Han, Mengwei; Kimura, Susana Y.; Gray, Danielle L.; Shapley, John R.; Abu-Omar, Mahdi M; Werth, Charles J.; Strathmann, Timothy J.","Configuration Control in the Synthesis of Homo- and Heteroleptic Bis(oxazolinylphenolato/thiazolinylphenolato) Chelate Ligand Complexes of Oxorhenium(V): Isomer Effect on Ancillary Ligand Exchange Dynamics and Implications for Perchlorate Reduction Catalysis.","Inorganic chemistry","2016","55","5","2597","2611","10.1021/acs.inorgchem.5b02940","","","0.71073","MoKα","","0.0265","0.0262","","","0.0551","0.0552","","","","","","1.332","","","","has coordinates","232236","2020-10-21","18:00:00",""
"4347251","16.2996","0.0006","7.5281","0.0002","16.4903","0.0006","90","","111.766","0.0012","90","","1879.18","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl N2 O3 Re S2 -","- C18 H16 Cl N2 O3 Re S2 -","- C72 H64 Cl4 N8 O12 Re4 S8 -","4","1","","Liu, Jinyong; Wu, Dimao; Su, Xiaoge; Han, Mengwei; Kimura, Susana Y.; Gray, Danielle L.; Shapley, John R.; Abu-Omar, Mahdi M; Werth, Charles J.; Strathmann, Timothy J.","Configuration Control in the Synthesis of Homo- and Heteroleptic Bis(oxazolinylphenolato/thiazolinylphenolato) Chelate Ligand Complexes of Oxorhenium(V): Isomer Effect on Ancillary Ligand Exchange Dynamics and Implications for Perchlorate Reduction Catalysis.","Inorganic chemistry","2016","55","5","2597","2611","10.1021/acs.inorgchem.5b02940","","","0.71073","MoKα","","0.025","0.0184","","","0.0371","0.0388","","","","","","1.086","","","","has coordinates","232236","2020-10-21","18:00:00",""
"4347252","8.1795","0.0004","9.8471","0.0004","16.8728","0.0008","104.379","0.0017","101.345","0.0018","98.789","0.0018","1261.29","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H30 Cl3 N2 O2 Re S -","- C22 H30 Cl3 N2 O2 Re S -","- C44 H60 Cl6 N4 O4 Re2 S2 -","2","1","","Liu, Jinyong; Wu, Dimao; Su, Xiaoge; Han, Mengwei; Kimura, Susana Y.; Gray, Danielle L.; Shapley, John R.; Abu-Omar, Mahdi M; Werth, Charles J.; Strathmann, Timothy J.","Configuration Control in the Synthesis of Homo- and Heteroleptic Bis(oxazolinylphenolato/thiazolinylphenolato) Chelate Ligand Complexes of Oxorhenium(V): Isomer Effect on Ancillary Ligand Exchange Dynamics and Implications for Perchlorate Reduction Catalysis.","Inorganic chemistry","2016","55","5","2597","2611","10.1021/acs.inorgchem.5b02940","","","0.71073","MoKα","","0.0164","0.0142","","","0.0308","0.0314","","","","","","1.072","","","","has coordinates","232236","2020-10-21","18:00:00",""
"4347253","9.2555","0.0008","8.0421","0.0007","24.075","0.002","90","","94.944","0.004","90","","1785.3","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl N2 O4 Re S -","- C18 H16 Cl N2 O4 Re S -","- C72 H64 Cl4 N8 O16 Re4 S4 -","4","1","","Liu, Jinyong; Wu, Dimao; Su, Xiaoge; Han, Mengwei; Kimura, Susana Y.; Gray, Danielle L.; Shapley, John R.; Abu-Omar, Mahdi M; Werth, Charles J.; Strathmann, Timothy J.","Configuration Control in the Synthesis of Homo- and Heteroleptic Bis(oxazolinylphenolato/thiazolinylphenolato) Chelate Ligand Complexes of Oxorhenium(V): Isomer Effect on Ancillary Ligand Exchange Dynamics and Implications for Perchlorate Reduction Catalysis.","Inorganic chemistry","2016","55","5","2597","2611","10.1021/acs.inorgchem.5b02940","","","0.71073","MoKα","","0.0298","0.0249","","","0.0496","0.0511","","","","","","1.068","","","","has coordinates","232236","2020-10-21","18:00:00",""
"4347254","11.8818","0.0003","13.6186","0.0004","14.7507","0.0004","108.162","0.001","93.386","0.001","99.329","0.001","2222.61","0.11","188","2","188","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H18 F3 N2 O9 Re S -","- C19 H18 F3 N2 O9 Re S -","- C76 H72 F12 N8 O36 Re4 S4 -","4","2","","Liu, Jinyong; Wu, Dimao; Su, Xiaoge; Han, Mengwei; Kimura, Susana Y.; Gray, Danielle L.; Shapley, John R.; Abu-Omar, Mahdi M; Werth, Charles J.; Strathmann, Timothy J.","Configuration Control in the Synthesis of Homo- and Heteroleptic Bis(oxazolinylphenolato/thiazolinylphenolato) Chelate Ligand Complexes of Oxorhenium(V): Isomer Effect on Ancillary Ligand Exchange Dynamics and Implications for Perchlorate Reduction Catalysis.","Inorganic chemistry","2016","55","5","2597","2611","10.1021/acs.inorgchem.5b02940","","","0.71073","MoKα","","0.0189","0.0166","","","0.0394","0.0404","","","","","","1.041","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347255","15.7496","0.0004","15.7496","0.0004","35.867","0.002","90","","90","","90","","8896.8","0.6","293","2","293","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C34 H40 Cl2 N2 O9 P2 Zn2 -","- C34 H40 Cl2 N2 O9 P2 Zn2 -","- C272 H320 Cl16 N16 O72 P16 Zn16 -","8","1","","Dar, Aijaz A.; Bhat, Gulzar A.; Murugavel, Ramaswamy","Dimensionality Alteration and Intra- versus Inter-SBU Void Encapsulation in Zinc Phosphate Frameworks.","Inorganic chemistry","2016","55","11","5180","5190","10.1021/acs.inorgchem.5b02949","","","0.71073","MoKα","","0.0617","0.0512","","","0.1451","0.149","","","","","","1.052","","","","has coordinates","232237","2020-10-21","18:00:00",""
"4347256","15.7636","0.0017","15.7636","0.0017","36.843","0.004","90","","90","","90","","9155.2","1.7","150","2","150","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C36 H40 Br2 N2 O11 P2 Zn2 -","- C36 H40 Br2 N2 O11 P2 Zn2 -","- C288 H320 Br16 N16 O88 P16 Zn16 -","8","1","","Dar, Aijaz A.; Bhat, Gulzar A.; Murugavel, Ramaswamy","Dimensionality Alteration and Intra- versus Inter-SBU Void Encapsulation in Zinc Phosphate Frameworks.","Inorganic chemistry","2016","55","11","5180","5190","10.1021/acs.inorgchem.5b02949","","","0.71075","MoKα","","0.0536","0.0532","","","0.1516","0.152","","","","","","1.149","","","","has coordinates","232237","2020-10-21","18:00:00",""
"4347257","27.581","0.005","27.581","0.005","43.468","0.008","90","","90","","90","","33067","10","150","2","150","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C136 H168 F N8 O36 P8 Zn8 -","- C136 H168 F N8 O36 P8 Zn8 -","- C544 H672 F4 N32 O144 P32 Zn32 -","4","0.25","","Dar, Aijaz A.; Bhat, Gulzar A.; Murugavel, Ramaswamy","Dimensionality Alteration and Intra- versus Inter-SBU Void Encapsulation in Zinc Phosphate Frameworks.","Inorganic chemistry","2016","55","11","5180","5190","10.1021/acs.inorgchem.5b02949","","","0.71075","MoKα","","0.1054","0.0962","","","0.2804","0.2914","","","","","","1.141","","","","has coordinates","232237","2020-10-21","18:00:00",""
"4347258","15.121","0.007","15.009","0.007","21.587","0.009","102.69","0.006","102.475","0.002","109.882","0.006","4263","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H89 N4 O20 P4 Zn4 -","- C82 H89 N4 O20 P4 Zn4 -","- C164 H178 N8 O40 P8 Zn8 -","2","1","","Dar, Aijaz A.; Bhat, Gulzar A.; Murugavel, Ramaswamy","Dimensionality Alteration and Intra- versus Inter-SBU Void Encapsulation in Zinc Phosphate Frameworks.","Inorganic chemistry","2016","55","11","5180","5190","10.1021/acs.inorgchem.5b02949","","","0.71075","MoKα","","0.11","0.077","","","0.2357","0.3148","","","","","","1.17","","","","has coordinates,has disorder","232237","2020-10-21","18:00:00",""
"4347259","13.5263","0.0009","13.5263","0.0009","8.0567","0.0005","90","","90","","120","","1276.57","0.14","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0193","0.019","","","0.0564","0.0566","","","","","","1.156","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347260","13.5068","0.0008","13.5068","0.0008","8.0676","0.0005","90","","90","","120","","1274.62","0.13","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.018","0.0179","","","0.0518","0.0519","","","","","","1.124","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347261","13.5114","0.0014","13.5114","0.0014","8.0589","0.0008","90","","90","","120","","1274.1","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0186","0.0184","","","0.0535","0.0536","","","","","","1.156","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347262","13.5324","0.0005","13.5324","0.0005","8.0668","0.0003","90","","90","","120","","1279.33","0.08","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0253","0.0225","","","0.0534","0.0545","","","","","","1.105","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347263","13.5293","0.0012","13.5293","0.0012","8.0707","0.0008","90","","90","","120","","1279.4","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0283","0.0248","","","0.0604","0.0625","","","","","","1.13","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347264","13.5274","0.0012","13.5274","0.0012","8.0726","0.0008","90","","90","","120","","1279.3","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0258","0.0238","","","0.0613","0.0621","","","","","","1.101","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347265","13.5329","0.0016","13.5329","0.0016","8.0816","0.001","90","","90","","120","","1281.8","0.3","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0255","0.0247","","","0.0652","0.0654","","","","","","1.161","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347266","13.5214","0.0011","13.5214","0.0011","8.0686","0.0006","90","","90","","120","","1277.53","0.18","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0329","0.0266","","","0.0552","0.0569","","","","","","1.087","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347267","13.6013","0.0005","13.6013","0.0005","8.1404","0.0003","90","","90","","120","","1304.18","0.08","103","2","103","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H9 Cr0.33 Mn N4 O3 -","- C5 H7 Cr0.333333 Mn N4 O3 -","- C30 H42 Cr2 Mn6 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0439","0.0351","","","0.085","0.1075","","","","","","1.149","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347268","13.6093","0.0005","13.6093","0.0005","8.1609","0.0003","90","","90","","120","","1309","0.08","203","2","203","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H9 Cr0.33 Mn N4 O3 -","- C5 H7 Cr0.333333 Mn N4 O3 -","- C30 H42 Cr2 Mn6 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0456","0.0356","","","0.0904","0.1127","","","","","","1.178","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347269","13.6144","0.0005","13.6144","0.0005","8.1842","0.0003","90","","90","","120","","1313.72","0.08","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H9 Cr0.33 Mn N4 O3 -","- C5 H7 Cr0.333333 Mn N4 O3 -","- C30 H42 Cr2 Mn6 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0465","0.0351","","","0.0898","0.11","","","","","","1.177","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347270","13.5739","0.0005","13.5739","0.0005","8.1156","0.0003","90","","90","","120","","1294.97","0.08","403","2","403","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H8 Cr0.33 Mn N4 O2.5 -","- C5 H7 Cr0.333333 Mn N4 O2.48 -","- C30 H42 Cr2 Mn6 N24 O14.88 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.075","0.0542","","","0.1404","0.1667","","","","","","1.058","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347271","13.5576","0.0005","13.5576","0.0005","8.0994","0.0003","90","","90","","120","","1289.29","0.08","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H8 Cr0.33 Mn N4 O2.5 -","- C5 H7 Cr0.333333 Mn N4 O2.46667 -","- C30 H42 Cr2 Mn6 N24 O14.8 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0715","0.0541","","","0.1424","0.1674","","","","","","1.119","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347272","13.5392","0.0005","13.5392","0.0005","8.0692","0.0003","90","","90","","120","","1280.99","0.08","103","2","103","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H8 Cr0.33 Mn N4 O2.5 -","- C5 H7 Cr0.333333 Mn N4 O2.46667 -","- C30 H42 Cr2 Mn6 N24 O14.8 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0652","0.0536","","","0.1416","0.1662","","","","","","1.12","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347273","13.5554","0.0005","13.5554","0.0005","8.1351","0.0003","90","","90","","120","","1294.55","0.08","423","2","423","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H8 Cr0.33 Mn N4 O2.5 -","- C5 H7 Cr0.333333 Mn N4 O2.47 -","- C30 H42 Cr2 Mn6 N24 O14.82 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0847","0.0617","","","0.161","0.1884","","","","","","1.072","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347274","13.5416","0.0005","13.5416","0.0005","8.114","0.0003","90","","90","","120","","1288.56","0.08","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H8 Cr0.33 Mn N4 O2.5 -","- C5 H7 Cr0.333333 Mn N4 O2.46667 -","- C30 H42 Cr2 Mn6 N24 O14.8 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0771","0.0591","","","0.1565","0.1836","","","","","","1.084","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347275","13.6206","0.0005","13.6206","0.0005","8.1751","0.0003","90","","90","","120","","1313.46","0.08","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H9 Cr0.33 Mn N4 O3 -","- C5 H7 Cr0.333333 Mn N4 O3 -","- C30 H42 Cr2 Mn6 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0484","0.0375","","","0.0853","0.0925","","","","","","1.135","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347276","13.4917","0.0009","13.4917","0.0009","8.0644","0.0005","90","","90","","120","","1271.26","0.14","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0209","0.0204","","","0.0527","0.0529","","","","","","1.105","","","","has coordinates","232240","2020-10-21","18:00:00",""
"4347277","13.475","0.0009","13.475","0.0009","8.0291","0.0005","90","","90","","120","","1262.57","0.14","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H8 Mn1.33 N4 O2.5 -","- C5 H7 Mn1.33333 N4 O2.67 -","- C30 H42 Mn8 N24 O16.02 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0187","0.0183","","","0.0462","0.0464","","","","","","1.122","","","","has coordinates","232240","2020-10-21","18:00:00",""
"4347278","13.5105","0.0009","13.5105","0.0009","8.0463","0.0005","90","","90","","120","","1271.95","0.14","293","2","296","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.031","0.0263","","","0.0577","0.0599","","","","","","1.137","","","","has coordinates","232240","2020-10-21","18:00:00",""
"4347279","13.516","0.0012","13.516","0.0012","8.0533","0.0008","90","","90","","120","","1274.1","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0336","0.0268","","","0.0533","0.0552","","","","","","1.105","","","","has coordinates","232240","2020-10-21","18:00:00",""
"4347280","13.4873","0.0012","13.4873","0.0012","8.0256","0.0008","90","","90","","120","","1264.3","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H8 Mn1.33 N4 O2.5 -","- C5 H7 Mn1.33333 N4 O2.81667 -","- C30 H42 Mn8 N24 O16.9 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0325","0.0257","","","0.0525","0.0544","","","","","","1.062","","","","has coordinates","232240","2020-10-21","18:00:00",""
"4347281","13.4846","0.0012","13.4846","0.0012","8.032","0.0008","90","","90","","120","","1264.8","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0429","0.0302","","","0.0562","0.06","","","","","","1.099","","","","has coordinates","232240","2020-10-21","18:00:00",""
"4347282","9.419","0.006","13.972","0.009","12.585","0.008","90","","90.81","0.01","90","","1656","1.8","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C28 H41 N5 O11 S2 Zn -","- C28 H41 N5 O11 S2 Zn -","- C56 H82 N10 O22 S4 Zn2 -","2","1","","Wen, Yuehong; Sheng, Tianlu; Zhuo, Chao; Zhu, Xiaoquan; Hu, Shengmin; Cao, Wenhai; Li, Haoran; Zhang, Hao; Wu, Xintao","1D to 3D and Chiral to Noncentrosymmetric Metal-Organic Complexes Controlled by the Amount of DEF Solvent: Photoluminescent and NLO Properties.","Inorganic chemistry","2016","55","9","4199","4205","10.1021/acs.inorgchem.5b02961","","","0.71073","MoKα","","0.0933","0.0714","","","0.1684","0.1828","","","","","","1.048","","","","has coordinates","232241","2020-10-21","18:00:00",""
"4347283","9.114","0.004","23.93","0.009","9.382","0.006","90","","118.185","0.006","90","","1803.6","1.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 N5 O12 S2 Zn -","- C29 H45 N5 O12 S2 Zn -","- C58 H90 N10 O24 S4 Zn2 -","2","1","","Wen, Yuehong; Sheng, Tianlu; Zhuo, Chao; Zhu, Xiaoquan; Hu, Shengmin; Cao, Wenhai; Li, Haoran; Zhang, Hao; Wu, Xintao","1D to 3D and Chiral to Noncentrosymmetric Metal-Organic Complexes Controlled by the Amount of DEF Solvent: Photoluminescent and NLO Properties.","Inorganic chemistry","2016","55","9","4199","4205","10.1021/acs.inorgchem.5b02961","","","0.71073","MoKα","","0.0432","0.0353","","","0.0765","0.0809","","","","","","0.931","","","","has coordinates","232241","2020-10-21","18:00:00",""
"4347284","9.11","0.002","23.907","0.005","9.373","0.002","90","","118.197","0.004","90","","1799.1","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 N5 O12 S2 Zn -","- C29 H45 N5 O12 S2 Zn -","- C58 H90 N10 O24 S4 Zn2 -","2","1","","Wen, Yuehong; Sheng, Tianlu; Zhuo, Chao; Zhu, Xiaoquan; Hu, Shengmin; Cao, Wenhai; Li, Haoran; Zhang, Hao; Wu, Xintao","1D to 3D and Chiral to Noncentrosymmetric Metal-Organic Complexes Controlled by the Amount of DEF Solvent: Photoluminescent and NLO Properties.","Inorganic chemistry","2016","55","9","4199","4205","10.1021/acs.inorgchem.5b02961","","","0.71073","MoKα","","0.0383","0.0282","","","0.0573","0.0596","","","","","","0.93","","","","has coordinates","232241","2020-10-21","18:00:00",""
"4347285","9.434","0.007","16.599","0.012","18.562","0.013","90","","97.731","0.013","90","","2880","4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H32 N4 O10 S2 Zn -","- C24 H32 N4 O10 S2 Zn -","- C96 H128 N16 O40 S8 Zn4 -","4","1","","Wen, Yuehong; Sheng, Tianlu; Zhuo, Chao; Zhu, Xiaoquan; Hu, Shengmin; Cao, Wenhai; Li, Haoran; Zhang, Hao; Wu, Xintao","1D to 3D and Chiral to Noncentrosymmetric Metal-Organic Complexes Controlled by the Amount of DEF Solvent: Photoluminescent and NLO Properties.","Inorganic chemistry","2016","55","9","4199","4205","10.1021/acs.inorgchem.5b02961","","","0.71073","MoKα","","0.0502","0.043","","","0.1044","0.1098","","","","","","0.988","","","","has coordinates","232241","2020-10-21","18:00:00",""
"4347286","14.8367","0.00012","14.15225","0.0001","15.38219","0.00011","90","","106.734","0.0008","90","","3093.07","0.04","183","1","183","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[(4-<i>tert</i>-butylphenyl)ethynyl][1-(1-methyethyl)-3-(pyridin-2-yl-κ<i>N</i>)-2,3-dihydro-1H-imidazol-2-yl-κ<i>C</i>^2^] platinum(II)","","- C35 H39 N3 Pt -","- C35 H39 N3 Pt -","- C140 H156 N12 Pt4 -","4","1","","Bachmann, Michael; Suter, Dominik; Blacque, Olivier; Venkatesan, Koushik","Tunable and Efficient White Light Phosphorescent Emission Based on Single Component N-Heterocyclic Carbene Platinum(II) Complexes.","Inorganic chemistry","2016","55","10","4733","4745","10.1021/acs.inorgchem.5b02962","","x-ray","0.71073","MoKα","","0.031","0.0264","","","0.0555","0.0577","","","","","","1.114","","","","has coordinates","232242","2020-10-21","18:00:00",""
"4347287","10.2144","0.0003","16.6314","0.0006","26.3951","0.0008","90","","90","","90","","4484","0.2","183","1","183","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[1-(1-methyethyl)-3-(pyridin-2-yl-κ<i>N</i>)-2,3-dihydro-1<i>H</i>-imidazol-2-yl-κ<i>C</i>^2^][bis(phenylethynyl)] platinum(II)","","- C27 H23 N3 Pt -","- C27 H23 N3 Pt -","- C216 H184 N24 Pt8 -","8","1","","Bachmann, Michael; Suter, Dominik; Blacque, Olivier; Venkatesan, Koushik","Tunable and Efficient White Light Phosphorescent Emission Based on Single Component N-Heterocyclic Carbene Platinum(II) Complexes.","Inorganic chemistry","2016","55","10","4733","4745","10.1021/acs.inorgchem.5b02962","","","0.71073","MoKα","","0.0572","0.0464","","","0.0782","0.0817","","","","","","1.239","","","","has coordinates","232243","2020-10-21","18:00:00",""
"4347288","12.2534","0.0004","14.7691","0.0005","14.9032","0.0004","112.588","0.003","105.915","0.003","97.166","0.003","2312.93","0.15","183","1","183","1","","","","","","","","5","P -1","-P 1","2","","Bis[(4-<i>tert</i>-butylphenyl)ethynyl][1-(1-methyethyl)-3-(pyridin-2-yl-κ<i>N</i>)-2,3-dihydro-1H-imidazol-2-yl-κ<i>C</i>^2^] platinum(II)","","- C27 H21 F2 N3 Pt -","- C27 H21 F2 N3 Pt -","- C108 H84 F8 N12 Pt4 -","4","2","","Bachmann, Michael; Suter, Dominik; Blacque, Olivier; Venkatesan, Koushik","Tunable and Efficient White Light Phosphorescent Emission Based on Single Component N-Heterocyclic Carbene Platinum(II) Complexes.","Inorganic chemistry","2016","55","10","4733","4745","10.1021/acs.inorgchem.5b02962","","x-ray","0.71073","MoKα","","0.0454","0.0291","","","0.0594","0.0668","","","","","","1.054","","","","has coordinates","232244","2020-10-21","18:00:00",""
"4347289","10.6972","0.0016","11.3656","0.0016","18.687","0.003","81.692","0.002","86.181","0.002","84.66","0.003","2235.1","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H36 Dy F9 N2 O7 -","- C47 H36 Dy F9 N2 O7 -","- C94 H72 Dy2 F18 N4 O14 -","2","1","","Zhang, Sheng; Ke, Hongshan; Sun, Lin; Li, Xin; Shi, Quan; Xie, Gang; Wei, Qing; Yang, Desuo; Wang, Wenyuan; Chen, Sanping","Magnetization Dynamics Changes of Dysprosium(III) Single-Ion Magnets Associated with Guest Molecules.","Inorganic chemistry","2016","55","8","3865","3871","10.1021/acs.inorgchem.5b02971","","","0.71073","MoKα","","0.0782","0.0558","","","0.1394","0.1654","","","","","","1.068","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347290","10.5725","0.0017","12.565","0.002","18.395","0.003","85.084","0.003","75.023","0.003","65.326","0.003","2144.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H32 Dy F9 N2 O6 -","- C45 H32 Dy F9 N2 O6 -","- C90 H64 Dy2 F18 N4 O12 -","2","1","","Zhang, Sheng; Ke, Hongshan; Sun, Lin; Li, Xin; Shi, Quan; Xie, Gang; Wei, Qing; Yang, Desuo; Wang, Wenyuan; Chen, Sanping","Magnetization Dynamics Changes of Dysprosium(III) Single-Ion Magnets Associated with Guest Molecules.","Inorganic chemistry","2016","55","8","3865","3871","10.1021/acs.inorgchem.5b02971","","","0.71073","MoKα","","0.1261","0.0992","","","0.2218","0.2521","","","","","","1.284","","","","has coordinates","232246","2020-10-21","18:00:00",""
"4347291","21.5669","0.0005","21.5669","0.0005","7.7969","0.0002","90","","90","","120","","3140.71","0.13","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C96 H54 Cu3 F18 N6 O18 -","- C96 H54 Cu3 F18 N6 O18 -","- C96 H54 Cu3 F18 N6 O18 -","1","0.166667","","Chen, Gong-Jun; Wang, Jing-Si; Jin, Fa-Zheng; Liu, Ming-Yang; Zhao, Chao-Wei; Li, Yan-An; Dong, Yu-Bin","Pd@Cu(II)-MOF-Catalyzed Aerobic Oxidation of Benzylic Alcohols in Air with High Conversion and Selectivity.","Inorganic chemistry","2016","55","6","3058","3064","10.1021/acs.inorgchem.5b02973","","","1.54178","CuKα","","0.1044","0.0871","","","0.2745","0.2433","","","","","","1.19","","","","has coordinates","232247","2020-10-21","18:00:00",""
"4347292","24.54658","0.00018","11.25766","0.00008","22.79169","0.00015","90","","98.946","0.0007","90","","6221.57","0.08","124","1","124","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C74 H86 Ga N2 Ni -","- C74 H86 Ga N2 Ni -","- C296 H344 Ga4 N8 Ni4 -","4","1","","Chakraborty, Uttam; Mühldorf, Bernd; van Velzen, Niels J. C.; de Bruin, Bas; Harder, Sjoerd; Wolf, Robert","[Cp(Ar)Ni{Ga(nacnac)}]: An Open-Shell Nickel(I) Complex Supported by a Gallium(I) Carbenoid (Cp(Ar) = C5(C6H4-4-Et)5, nacnac = HC[C(Me)N-(C6H3)-2,6-iPr2]2).","Inorganic chemistry","2016","55","6","3075","3078","10.1021/acs.inorgchem.5b02979","","x-ray","1.54184","CuKα","","0.0382","0.033","","","0.0818","0.086","","","","","","1.029","","","","has coordinates,has disorder","232248","2020-10-21","18:00:00",""
"4347293","23.8919","0.0004","22.8702","0.0004","38.3227","0.0007","90","","97.7389","0.0019","90","","20749.3","0.6","123","1","123.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H86 Br Ga N2 Ni -","- C74 H86 Br Ga N2 Ni -","- C888 H1032 Br12 Ga12 N24 Ni12 -","12","3","","Chakraborty, Uttam; Mühldorf, Bernd; van Velzen, Niels J. C.; de Bruin, Bas; Harder, Sjoerd; Wolf, Robert","[Cp(Ar)Ni{Ga(nacnac)}]: An Open-Shell Nickel(I) Complex Supported by a Gallium(I) Carbenoid (Cp(Ar) = C5(C6H4-4-Et)5, nacnac = HC[C(Me)N-(C6H3)-2,6-iPr2]2).","Inorganic chemistry","2016","55","6","3075","3078","10.1021/acs.inorgchem.5b02979","","x-ray","1.54184","CuKα","","0.0643","0.0509","","","0.145","0.157","","","","","","0.966","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4347294","5.4246","0.0003","10.0714","0.0005","10.7447","0.0006","90","","90","","90","","587.02","0.05","100","2","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H14 Cl N4 Pt -","- C8 H14 Cl N4 Pt -","- C16 H28 Cl2 N8 Pt2 -","2","0.5","","Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps.","Inorganic chemistry","2016","55","5","2620","2626","10.1021/acs.inorgchem.5b02980","","","0.71073","MoKα","","0.018","0.0156","","","0.0396","0.0402","","","","","","1.115","","","","has coordinates","232249","2020-10-21","18:00:00",""
"4347295","9.622","0.003","12.063","0.004","12.924","0.005","81.487","0.004","70.954","0.004","77.595","0.004","1379.9","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C8 H14 Br2 N4 O Pt -","- C8 H14 Br2 N4 O Pt -","- C32 H56 Br8 N16 O4 Pt4 -","4","4","","Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps.","Inorganic chemistry","2016","55","5","2620","2626","10.1021/acs.inorgchem.5b02980","","","0.71073","MoKα","","0.0256","0.0234","","","0.0604","0.0611","","","","","","1.035","","","","has coordinates","232250","2020-10-21","18:00:00",""
"4347296","6.871","0.0014","13.002","0.003","13.702","0.003","90","","90","","90","","1224.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 N4 O2 Pt -","- C8 H14 N4 O2 Pt -","- C32 H56 N16 O8 Pt4 -","4","1","","Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps.","Inorganic chemistry","2016","55","5","2620","2626","10.1021/acs.inorgchem.5b02980","","","0.71073","MoKα","","0.0165","0.0151","","","0.0403","0.0408","","","","","","1.083","","","","has coordinates","232251","2020-10-21","18:00:00",""
"4347297","12.3002","","18.8899","","13.1157","","90","","100.694","","90","","2994.5","","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H14 I2 N4 O Pt -","- C8 H14 I2 N4 O0.5 Pt -","- C64 H112 I16 N32 O4 Pt8 -","8","4","","Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps.","Inorganic chemistry","2016","55","5","2620","2626","10.1021/acs.inorgchem.5b02980","","","0.71073","MoKα","","0.0266","0.0221","","","0.0513","0.0525","","","","","","0.993","","","","has coordinates","232252","2020-10-21","18:00:00",""
"4347298","5.7631","0.0004","9.9725","0.0007","10.7081","0.0008","90","","90","","90","","615.42","0.08","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H14 I N4 Pt -","- C8 H14 I N4 Pt -","- C16 H28 I2 N8 Pt2 -","2","0.5","","Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps.","Inorganic chemistry","2016","55","5","2620","2626","10.1021/acs.inorgchem.5b02980","","","0.71073","MoKα","","0.0108","0.0105","","","0.0268","0.0269","","","","","","1.02","","","","has coordinates","232253","2020-10-21","18:00:00",""
"4347299","5.5648","0.0011","9.958","0.002","10.755","0.002","90","","90","","90","","596","0.2","100","2","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H14 Br N4 Pt -","- C8 H14 Br N4 Pt -","- C16 H28 Br2 N8 Pt2 -","2","0.5","","Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps.","Inorganic chemistry","2016","55","5","2620","2626","10.1021/acs.inorgchem.5b02980","","","0.71073","MoKα","","0.0136","0.0118","","","0.0295","0.0301","","","","","","1.094","","","","has coordinates","232254","2020-10-21","18:00:00",""
"4347300","11.32","0.002","11.5351","0.0019","13.336","0.003","87.146","0.008","82.848","0.009","70.288","0.007","1626.5","0.5","233","2","233","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H52 Cr N2 -","- C36 H52 Cr N2 -","- C72 H104 Cr2 N4 -","2","1","","Jacobs, Brian P.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Oxidatively Triggered Carbon-Carbon Bond Formation in Ene-amide Complexes.","Inorganic chemistry","2016","55","9","4223","4232","10.1021/acs.inorgchem.5b02990","","","0.71073","MoKα","","0.0569","0.0388","","","0.0904","0.0998","","","","","","1.034","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347301","12.3854","0.0004","19.7116","0.0009","13.7788","0.0006","90","","106.922","0.002","90","","3218.3","0.2","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Cr N2 -","- C36 H52 Cr N2 -","- C144 H208 Cr4 N8 -","4","1","","Jacobs, Brian P.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Oxidatively Triggered Carbon-Carbon Bond Formation in Ene-amide Complexes.","Inorganic chemistry","2016","55","9","4223","4232","10.1021/acs.inorgchem.5b02990","","","0.71073","MoKα","","0.0842","0.0407","","","0.0944","0.1165","","","","","","0.995","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347302","10.318","0.0005","18.3944","0.001","22.0796","0.0011","68.324","0.003","78.952","0.003","86.63","0.003","3821.7","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H61 Fe N2 P -","- C39 H61 Fe N2 P -","- C156 H244 Fe4 N8 P4 -","4","2","","Jacobs, Brian P.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Oxidatively Triggered Carbon-Carbon Bond Formation in Ene-amide Complexes.","Inorganic chemistry","2016","55","9","4223","4232","10.1021/acs.inorgchem.5b02990","","","0.71073","MoKα","","0.0863","0.0443","","","0.095","0.1169","","","","","","1.009","","","","has coordinates,has disorder","232256","2020-10-21","18:00:00",""
"4347303","10.6653","0.001","36.834","0.004","21.08","0.002","90","","97.136","0.004","90","","8217","1.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H62 Co N4 -","- C46 H62 Co N4 -","- C368 H496 Co8 N32 -","8","2","","Jacobs, Brian P.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Oxidatively Triggered Carbon-Carbon Bond Formation in Ene-amide Complexes.","Inorganic chemistry","2016","55","9","4223","4232","10.1021/acs.inorgchem.5b02990","","","0.71073","MoKα","","0.1316","0.0575","","","0.1234","0.1622","","","","","","1.068","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347304","15.55","0.009","9.151","0.005","24.38","0.011","90","","107.24","0.03","90","","3313","3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 N2 -","- C36 H52 N2 -","- C144 H208 N8 -","4","0.5","","Jacobs, Brian P.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Oxidatively Triggered Carbon-Carbon Bond Formation in Ene-amide Complexes.","Inorganic chemistry","2016","55","9","4223","4232","10.1021/acs.inorgchem.5b02990","","","0.71073","MoKα","","0.0688","0.0413","","","0.1019","0.1181","","","","","","1.002","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347305","11.0565","0.0018","12.827","0.002","13.891","0.002","71.824","0.003","73.3","0.003","70.806","0.003","1729.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 Cl2 P2 Pd -","- C36 H46 Cl2 P2 Pd -","- C72 H92 Cl4 P4 Pd2 -","2","1","","Kendall, Alexander J.; Zakharov, Lev N.; Tyler, David R.","Steric and Electronic Influences of Buchwald-Type Alkyl-JohnPhos Ligands.","Inorganic chemistry","2016","55","6","3079","3090","10.1021/acs.inorgchem.5b02996","","","0.71073","MoKα","","0.0955","0.0466","","","0.082","0.0984","","","","","","1.017","","","","has coordinates","232257","2020-10-21","18:00:00",""
"4347306","11.118","0.0006","11.4477","0.0006","15.4317","0.0009","81.426","0.002","78.935","0.002","79.538","0.002","1882.2","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H44 O P2 Pd -","- C45 H44 O P2 Pd -","- C90 H88 O2 P4 Pd2 -","2","1","","Kendall, Alexander J.; Zakharov, Lev N.; Tyler, David R.","Steric and Electronic Influences of Buchwald-Type Alkyl-JohnPhos Ligands.","Inorganic chemistry","2016","55","6","3079","3090","10.1021/acs.inorgchem.5b02996","","","1.54178","CuKα","","0.0889","0.07","","","0.1649","0.1755","","","","","","1.023","","","","has coordinates","232257","2020-10-21","18:00:00",""
"4347307","7.3216","0.0003","9.6435","0.0004","11.8158","0.0004","67.621","0.002","72.584","0.002","76.173","0.002","728.64","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 Cr O4 P2 -","- C32 H30 Cr O4 P2 -","- C32 H30 Cr O4 P2 -","1","0.5","","Kendall, Alexander J.; Zakharov, Lev N.; Tyler, David R.","Steric and Electronic Influences of Buchwald-Type Alkyl-JohnPhos Ligands.","Inorganic chemistry","2016","55","6","3079","3090","10.1021/acs.inorgchem.5b02996","","","1.54178","CuKα","","0.0395","0.0354","","","0.0908","0.0934","","","","","","1.057","","","","has coordinates","232257","2020-10-21","18:00:00",""
"4347308","7.9111","0.0005","11.4369","0.0008","13.9141","0.0009","78.752","0.003","80.116","0.003","79.644","0.003","1202.4","0.14","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H15 P -","- C14 H15 P -","- C56 H60 P4 -","4","2","","Kendall, Alexander J.; Zakharov, Lev N.; Tyler, David R.","Steric and Electronic Influences of Buchwald-Type Alkyl-JohnPhos Ligands.","Inorganic chemistry","2016","55","6","3079","3090","10.1021/acs.inorgchem.5b02996","","","0.71073","MoKα","","0.0563","0.039","","","0.0922","0.1045","","","","","","1.012","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347309","11.6418","0.0013","7.1671","0.0008","16.423","0.0017","90","","92.638","0.005","90","","1368.8","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cl2 P2 Pd -","- C28 H30 Cl2 P2 Pd -","- C56 H60 Cl4 P4 Pd2 -","2","0.5","","Kendall, Alexander J.; Zakharov, Lev N.; Tyler, David R.","Steric and Electronic Influences of Buchwald-Type Alkyl-JohnPhos Ligands.","Inorganic chemistry","2016","55","6","3079","3090","10.1021/acs.inorgchem.5b02996","","","0.71073","MoKα","","0.0583","0.0376","","","0.0818","0.093","","","","","","1.024","","","","has coordinates","232257","2020-10-21","18:00:00",""
"4347310","8.797","0.003","13.654","0.004","18.42","0.005","82.256","0.005","83.828","0.006","73.186","0.006","2093.1","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Ag2 N5 O7 Si4 -","- C32 H36 Ag2 N5 O7 Si4 -","- C64 H72 Ag4 N10 O14 Si8 -","2","1","","Deshmukh, Mahesh S.; Vijayakanth, Thangavel; Boomishankar, Ramamoorthy","Stereochemically Distinct Cyclotetrasiloxanes Containing 3-Pyridyl Moieties and Their Functional Coordination Polymers.","Inorganic chemistry","2016","55","6","3098","3104","10.1021/acs.inorgchem.6b00001","","","0.71073","MoKα","","0.1858","0.0832","","","0.2313","0.2766","","","","","","0.844","","","","has coordinates,has disorder","232258","2020-10-21","18:00:00",""
"4347311","16.29","0.03","11.09","0.02","16.96","0.03","90","","109.86","0.03","90","","2882","9","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C32 H44 Cu4 I4 N4 O4 Si4 -","- C32 H44 Cu4 I4 N4 O4 Si4 -","- C64 H88 Cu8 I8 N8 O8 Si8 -","2","0.5","","Deshmukh, Mahesh S.; Vijayakanth, Thangavel; Boomishankar, Ramamoorthy","Stereochemically Distinct Cyclotetrasiloxanes Containing 3-Pyridyl Moieties and Their Functional Coordination Polymers.","Inorganic chemistry","2016","55","6","3098","3104","10.1021/acs.inorgchem.6b00001","","","0.71073","MoKα","","0.5163","0.1796","","","0.4207","0.5447","","","","","","1.028","","","","has coordinates","232259","2020-10-21","18:00:00",""
"4347312","14.042","0.001","26.3107","0.0019","16.817","0.001","90","","105.548","0.003","90","","5985.8","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 I4 N4 O4 Si4 Zn2 -","- C32 H32 I3.98 N4 O4 Si4 Zn2 -","- C128 H128 I15.92 N16 O16 Si16 Zn8 -","4","0.5","","Deshmukh, Mahesh S.; Vijayakanth, Thangavel; Boomishankar, Ramamoorthy","Stereochemically Distinct Cyclotetrasiloxanes Containing 3-Pyridyl Moieties and Their Functional Coordination Polymers.","Inorganic chemistry","2016","55","6","3098","3104","10.1021/acs.inorgchem.6b00001","","","0.71073","MoKα","","0.227","0.0935","","","0.2508","0.3345","","","","","","1.025","","","","has coordinates,has disorder","232260","2020-10-21","18:00:00",""
"4347313","14.588","0.003","11.141","0.002","20.125","0.004","90","","108.21","0.03","90","","3107","1.2","113","2","113","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C47 H35 Cu Dy F30 N8 O14 -","- C47 H35 Cu Dy F30 N8 O14 -","- C94 H70 Cu2 Dy2 F60 N16 O28 -","2","0.5","","Zhu, Mei; Li, Cun; Wang, Xiufeng; Li, Licun; Sutter, Jean-Pascal","Thermal Magnetic Hysteresis in a Copper-Gadolinium-Radical Chain Compound.","Inorganic chemistry","2016","55","6","2676","2678","10.1021/acs.inorgchem.6b00004","","","0.71073","MoKα","","0.0892","0.0815","","","0.2022","0.2106","","","","","","1.068","","","","has coordinates","232261","2020-10-21","18:00:00",""
"4347314","15.109","0.003","11.113","0.002","20.228","0.004","90","","107.22","0.03","90","","3244.2","1.2","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C47 H35 Cu F30 Gd N8 O14 -","- C47 H35 Cu F30 Gd N8 O14 -","- C94 H70 Cu2 F60 Gd2 N16 O28 -","2","0.5","","Zhu, Mei; Li, Cun; Wang, Xiufeng; Li, Licun; Sutter, Jean-Pascal","Thermal Magnetic Hysteresis in a Copper-Gadolinium-Radical Chain Compound.","Inorganic chemistry","2016","55","6","2676","2678","10.1021/acs.inorgchem.6b00004","","","0.71073","MoKα","","0.1454","0.0956","","","0.2078","0.2369","","","","","","1.024","","","","has coordinates,has disorder","232262","2020-10-21","18:00:00",""
"4347315","14.58","0.003","11.217","0.002","20.13","0.004","90","","108.29","0.03","90","","3125.8","1.2","113","2","113","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C47 H35 Cu F30 Gd N8 O14 -","- C47 H35 Cu F30 Gd N8 O14 -","- C94 H70 Cu2 F60 Gd2 N16 O28 -","2","0.5","","Zhu, Mei; Li, Cun; Wang, Xiufeng; Li, Licun; Sutter, Jean-Pascal","Thermal Magnetic Hysteresis in a Copper-Gadolinium-Radical Chain Compound.","Inorganic chemistry","2016","55","6","2676","2678","10.1021/acs.inorgchem.6b00004","","","0.71073","MoKα","","0.0843","0.0789","","","0.2009","0.2057","","","","","","1.031","","","","has coordinates","232263","2020-10-21","18:00:00",""
"4347316","15.071","0.003","11.095","0.002","20.235","0.004","90","","107.42","0.03","90","","3228.4","1.2","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C47 H35 Cu Dy F30 N8 O14 -","- C47 H35 Cu Dy F30 N8 O14 -","- C94 H70 Cu2 Dy2 F60 N16 O28 -","2","0.5","","Zhu, Mei; Li, Cun; Wang, Xiufeng; Li, Licun; Sutter, Jean-Pascal","Thermal Magnetic Hysteresis in a Copper-Gadolinium-Radical Chain Compound.","Inorganic chemistry","2016","55","6","2676","2678","10.1021/acs.inorgchem.6b00004","","","0.71073","MoKα","","0.1317","0.099","","","0.2206","0.2428","","","","","","1.014","","","","has coordinates,has disorder","232264","2020-10-21","18:00:00",""
"4347317","13.241","0.003","19.666","0.004","13.785","0.003","90","","94.92","0.03","90","","3576.4","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H104 Cu Mo6 N6 O24 -","- C50 H104 Cu Mo6 N6 O24 -","- C100 H208 Cu2 Mo12 N12 O48 -","2","0.5","","Wang, Yang; Li, Bao; Qian, Hujun; Wu, Lixin","Controlled Triol-Derivative Bonding and Decoration Transformation on Cu-Centered Anderson-Evans Polyoxometalates.","Inorganic chemistry","2016","55","9","4271","4277","10.1021/acs.inorgchem.6b00008","","","0.71073","MoKα","","0.0564","0.0441","","","0.1028","0.1067","","","","","","1.073","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347318","11.547","0.002","13.564","0.003","13.645","0.003","115.01","0.03","91.46","0.03","114.24","0.03","1714","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H100 Cu Mo6 N2 O28 -","- C46 H100 Cu Mo6 N2 O28 -","- C46 H100 Cu Mo6 N2 O28 -","1","0.5","","Wang, Yang; Li, Bao; Qian, Hujun; Wu, Lixin","Controlled Triol-Derivative Bonding and Decoration Transformation on Cu-Centered Anderson-Evans Polyoxometalates.","Inorganic chemistry","2016","55","9","4271","4277","10.1021/acs.inorgchem.6b00008","","","0.71073","MoKα","","0.0613","0.0495","","","0.153","0.1637","","","","","","1.13","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347319","13.673","0.003","19.662","0.004","13.762","0.003","90","","95.04","0.03","90","","3685.5","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H108 Cu Mo6 N6 O24 -","- C52 H108 Cu Mo6 N6 O24 -","- C104 H216 Cu2 Mo12 N12 O48 -","2","0.5","","Wang, Yang; Li, Bao; Qian, Hujun; Wu, Lixin","Controlled Triol-Derivative Bonding and Decoration Transformation on Cu-Centered Anderson-Evans Polyoxometalates.","Inorganic chemistry","2016","55","9","4271","4277","10.1021/acs.inorgchem.6b00008","","","0.71073","MoKα","","0.0399","0.0328","","","0.09","0.0946","","","","","","1.03","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347320","14.229","0.003","10.44","0.002","22.333","0.005","90","","95.73","0.03","90","","3301","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H100 Cu Mo6 N2 O30 -","- C46 H100 Cu Mo6 N2 O30 -","- C92 H200 Cu2 Mo12 N4 O60 -","2","0.5","","Wang, Yang; Li, Bao; Qian, Hujun; Wu, Lixin","Controlled Triol-Derivative Bonding and Decoration Transformation on Cu-Centered Anderson-Evans Polyoxometalates.","Inorganic chemistry","2016","55","9","4271","4277","10.1021/acs.inorgchem.6b00008","","","0.71073","MoKα","","0.0415","0.0331","","","0.0842","0.0997","","","","","","1.019","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347321","14.11","0.003","21.263","0.004","23.016","0.005","90","","93.66","0.03","90","","6891","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H94 Cu Mo6 N4 O32 -","- C44 H94 Cu Mo6 N4 O32 -","- C176 H376 Cu4 Mo24 N16 O128 -","4","1","","Wang, Yang; Li, Bao; Qian, Hujun; Wu, Lixin","Controlled Triol-Derivative Bonding and Decoration Transformation on Cu-Centered Anderson-Evans Polyoxometalates.","Inorganic chemistry","2016","55","9","4271","4277","10.1021/acs.inorgchem.6b00008","","","0.71073","MoKα","","0.0821","0.0531","","","0.1169","0.1294","","","","","","0.977","","","","has coordinates","232265","2020-10-21","18:00:00",""
"4347322","14.99","0.004","25.871","0.005","23.163","0.005","90","","105.561","0.009","90","","8653","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H142 Cu Mo6 N4 O27 -","- C65 H139 Cu Mo6 N4 O27 -","- C260 H556 Cu4 Mo24 N16 O108 -","4","1","","Wang, Yang; Li, Bao; Qian, Hujun; Wu, Lixin","Controlled Triol-Derivative Bonding and Decoration Transformation on Cu-Centered Anderson-Evans Polyoxometalates.","Inorganic chemistry","2016","55","9","4271","4277","10.1021/acs.inorgchem.6b00008","","","0.71073","MoKα","","0.093","0.0588","","","0.1501","0.1675","","","","","","1.05","","","","has coordinates,has disorder","232265","2020-10-21","18:00:00",""
"4347323","25.265","0.005","10.414","0.002","27.313","0.006","90","","117.43","0.03","90","","6378","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H98 Cu Mo6 N2 O25 -","- C44 H96 Cu Mo6 N2 O25 -","- C176 H384 Cu4 Mo24 N8 O100 -","4","1","","Wang, Yang; Li, Bao; Qian, Hujun; Wu, Lixin","Controlled Triol-Derivative Bonding and Decoration Transformation on Cu-Centered Anderson-Evans Polyoxometalates.","Inorganic chemistry","2016","55","9","4271","4277","10.1021/acs.inorgchem.6b00008","","","0.71073","MoKα","","0.0905","0.0549","","","0.1126","0.1248","","","","","","1.039","","","","has coordinates,has disorder","232265","2020-10-21","18:00:00",""
"4347324","18.001","0.005","18.001","0.005","12.946","0.005","90","0.005","90","0.005","90","0.005","4195","2","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C52 H36 Cu2 Mo12 N16 O54 P -","- C52 H36 Cu2 Mo12 N16 O54 P -","- C104 H72 Cu4 Mo24 N32 O108 P2 -","2","0.25","","Wang, Xiu-Li; Zhang, Rui; Wang, Xiang; Lin, Hong-Yan; Liu, Guo-Cheng","An Effective Strategy To Construct Novel Polyoxometalate-Based Hybrids by Deliberately Controlling Organic Ligand Transformation In Situ.","Inorganic chemistry","2016","55","13","6384","6393","10.1021/acs.inorgchem.6b00009","","","0.71069","MoKα","","0.0665","0.0381","","","0.0966","0.1125","","","","","","0.955","","","","has coordinates","232266","2020-10-21","18:00:00",""
"4347325","18.12","0.005","18.12","0.005","12.905","0.005","90","0.005","90","0.005","90","0.005","4237","2","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C52 H36 Cu2 N16 O54 Si W12 -","- C52 H36 Cu2 N16 O54 Si W12 -","- C104 H72 Cu4 N32 O108 Si2 W24 -","2","0.25","","Wang, Xiu-Li; Zhang, Rui; Wang, Xiang; Lin, Hong-Yan; Liu, Guo-Cheng","An Effective Strategy To Construct Novel Polyoxometalate-Based Hybrids by Deliberately Controlling Organic Ligand Transformation In Situ.","Inorganic chemistry","2016","55","13","6384","6393","10.1021/acs.inorgchem.6b00009","","","0.71069","MoKα","","0.0567","0.0311","","","0.0672","0.0764","","","","","","1.004","","","","has coordinates","232266","2020-10-21","18:00:00",""
"4347326","13.246","0.005","13.603","0.005","16.304","0.005","87.4","0.005","74.351","0.005","88.125","0.005","2825.3","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 Ag Mo12 N8 O46 P -","- C26 H20 Ag Mo12 N8 O46 P -","- C52 H40 Ag2 Mo24 N16 O92 P2 -","2","1","","Wang, Xiu-Li; Zhang, Rui; Wang, Xiang; Lin, Hong-Yan; Liu, Guo-Cheng","An Effective Strategy To Construct Novel Polyoxometalate-Based Hybrids by Deliberately Controlling Organic Ligand Transformation In Situ.","Inorganic chemistry","2016","55","13","6384","6393","10.1021/acs.inorgchem.6b00009","","","0.71069","MoKα","","0.058","0.0444","","","0.1089","0.1167","","","","","","1.01","","","","has coordinates","232266","2020-10-21","18:00:00",""
"4347327","39.804","0.005","13.587","0.005","23.074","0.005","90","0.005","119.014","0.005","90","0.005","10913","5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Ag3 N8 O40 P W9 -","- C26 H20 Ag3 N8 O40 P W9 -","- C208 H160 Ag24 N64 O320 P8 W72 -","8","1","","Wang, Xiu-Li; Zhang, Rui; Wang, Xiang; Lin, Hong-Yan; Liu, Guo-Cheng","An Effective Strategy To Construct Novel Polyoxometalate-Based Hybrids by Deliberately Controlling Organic Ligand Transformation In Situ.","Inorganic chemistry","2016","55","13","6384","6393","10.1021/acs.inorgchem.6b00009","","","0.71069","MoKα","","0.084","0.0449","","","0.1114","0.1351","","","","","","1.03","","","","has coordinates","232266","2020-10-21","18:00:00",""
"4347328","32.9676","0.0003","32.9676","0.0003","26.6956","0.0004","90","","90","","90","","29014.5","0.6","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","FJI-C2","","","- C108 H34 Cd7 N24 O52 -","- C108 H46 Cd7 N24 O52 -","- C432 H184 Cd28 N96 O208 -","4","0.5","","Wang, Xu-Sheng; Liang, Jun; Li, Lan; Lin, Zu-Jin; Bag, Partha Pratim; Gao, Shui-Ying; Huang, Yuan-Biao; Cao, Rong","An Anion Metal-Organic Framework with Lewis Basic Sites-Rich toward Charge-Exclusive Cationic Dyes Separation and Size-Selective Catalytic Reaction.","Inorganic chemistry","2016","55","5","2641","2649","10.1021/acs.inorgchem.6b00019","","","1.54184","CuKα","","0.0616","0.0522","","","0.1509","0.1666","","","","","","0.633","","","","has coordinates","232267","2020-10-21","18:00:00",""
"4347329","19.688","0.003","11.024","0.002","20.33","0.003","90","","118.24","0.02","90","","3887.2","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H62 Cl2 N2 Si2 -","- C38.5 H62 Cl2 N2 Si2 -","- C154 H248 Cl8 N8 Si8 -","4","1","","Mohapatra, Chandrajeet; Samuel, Prinson P.; Li, Bin; Niepötter, Benedikt; Schürmann, Christian J; Herbst-Irmer, Regine; Stalke, Dietmar; Maity, Bholanath; Koley, Debasis; Roesky, Herbert W.","Insertion of Cyclic Alkyl(amino) Carbene into the Si-H Bonds of Hydrochlorosilanes.","Inorganic chemistry","2016","55","5","1953","1955","10.1021/acs.inorgchem.6b00024","","","0.71073","MoKα","","0.0367","0.0307","","","0.0794","0.0839","","","","","","1.036","","","","has coordinates,has disorder","232268","2020-10-21","18:00:00",""
"4347330","8.815","0.002","16.427","0.003","10.972","0.002","90","","113.64","0.02","90","","1455.5","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H47 Cl2 N Si -","- C30 H47 Cl2 N Si -","- C60 H94 Cl4 N2 Si2 -","2","1","","Mohapatra, Chandrajeet; Samuel, Prinson P.; Li, Bin; Niepötter, Benedikt; Schürmann, Christian J; Herbst-Irmer, Regine; Stalke, Dietmar; Maity, Bholanath; Koley, Debasis; Roesky, Herbert W.","Insertion of Cyclic Alkyl(amino) Carbene into the Si-H Bonds of Hydrochlorosilanes.","Inorganic chemistry","2016","55","5","1953","1955","10.1021/acs.inorgchem.6b00024","","","0.56086","AgKα","","0.0293","0.0263","","","0.0617","0.0632","","","","","","1.025","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347331","13.314","0.002","16.57","0.002","17.34","0.003","90","","112.38","0.02","90","","3537.3","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H55 Cl2 N3 Si -","- C35 H55 Cl2 N3 Si -","- C140 H220 Cl8 N12 Si4 -","4","1","","Mohapatra, Chandrajeet; Samuel, Prinson P.; Li, Bin; Niepötter, Benedikt; Schürmann, Christian J; Herbst-Irmer, Regine; Stalke, Dietmar; Maity, Bholanath; Koley, Debasis; Roesky, Herbert W.","Insertion of Cyclic Alkyl(amino) Carbene into the Si-H Bonds of Hydrochlorosilanes.","Inorganic chemistry","2016","55","5","1953","1955","10.1021/acs.inorgchem.6b00024","","","0.56086","AgKα","","0.0504","0.0355","","","0.0776","0.0841","","","","","","1.028","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347332","12.3442","0.0004","12.4158","0.0004","15.8234","0.0005","88.58","0.002","83.68","0.002","64.0527","0.0019","2166.69","0.13","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H54 Ge2 N4 Se Si4 -","- C38 H54 Ge2 N4 Se Si4 -","- C76 H108 Ge4 N8 Se2 Si8 -","2","1","","Leung, Wing-Por; Chan, Yuk-Chi; So, Cheuk-Wai; Mak, Thomas C. W.","Reactivity Study of a Pyridyl-1-azaallylgermanium(I) Dimer: Synthesis of Heavier Ether and Ester Analogues of Germanium.","Inorganic chemistry","2016","55","7","3553","3557","10.1021/acs.inorgchem.6b00026","","","0.71073","MoKα","","0.0679","0.0407","","","0.0821","0.0936","","","","","","1.016","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347333","11.7833","0.0006","12.6258","0.0007","16.7093","0.0009","90.477","0.001","92.046","0.001","110.794","0.001","2321.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H54 Ge2 N4 Si4 Te -","- C38 H54 Ge2 N4 Si4 Te -","- C76 H108 Ge4 N8 Si8 Te2 -","2","1","","Leung, Wing-Por; Chan, Yuk-Chi; So, Cheuk-Wai; Mak, Thomas C. W.","Reactivity Study of a Pyridyl-1-azaallylgermanium(I) Dimer: Synthesis of Heavier Ether and Ester Analogues of Germanium.","Inorganic chemistry","2016","55","7","3553","3557","10.1021/acs.inorgchem.6b00026","","","0.71073","MoKα","","0.0366","0.0262","","","0.0703","0.0854","","","","","","1.108","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347334","14.0939","0.0004","16.1868","0.0004","19.7136","0.0005","90","","93.6396","0.0018","90","","4488.3","0.2","103","2","103","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C38 H54 Ge2 N4 Se2 Si4 -","- C38 H54 Ge2 N4 Se2 Si4 -","- C152 H216 Ge8 N16 Se8 Si16 -","4","1","","Leung, Wing-Por; Chan, Yuk-Chi; So, Cheuk-Wai; Mak, Thomas C. W.","Reactivity Study of a Pyridyl-1-azaallylgermanium(I) Dimer: Synthesis of Heavier Ether and Ester Analogues of Germanium.","Inorganic chemistry","2016","55","7","3553","3557","10.1021/acs.inorgchem.6b00026","","","0.71073","","","0.1288","0.0648","","","0.1243","0.143","","","","","","1.177","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347335","11.4954","0.0003","12.3514","0.0004","18.835","0.0005","84.4139","0.0017","73.568","0.0015","70.8713","0.0016","2423.39","0.12","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H59 Ge2 N4 O0.5 Si4 Te2 -","- C40 H59 Ge2 N4 O0.5 Si4 Te2 -","- C80 H118 Ge4 N8 O Si8 Te4 -","2","1","","Leung, Wing-Por; Chan, Yuk-Chi; So, Cheuk-Wai; Mak, Thomas C. W.","Reactivity Study of a Pyridyl-1-azaallylgermanium(I) Dimer: Synthesis of Heavier Ether and Ester Analogues of Germanium.","Inorganic chemistry","2016","55","7","3553","3557","10.1021/acs.inorgchem.6b00026","","","0.71073","MoKα","","0.053","0.0341","","","0.0704","0.0777","","","","","","1.051","","","","has coordinates,has disorder","232271","2020-10-21","18:00:00",""
"4347336","14.805","0.003","20.504","0.004","20.065","0.005","90","","92.677","0.004","90","","6084","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H46 Cl4 N14 O10 Ru2 -","- C61 H46 Cl4 N14 O10 Ru2 -","- C244 H184 Cl16 N56 O40 Ru8 -","4","1","","Mondal, Prasenjit; Chatterjee, Madhumita; Paretzki, Alexa; Beyer, Katharina; Kaim, Wolfgang; Lahiri, Goutam Kumar","Noninnocence of Indigo: Dehydroindigo Anions as Bridging Electron-Donor Ligands in Diruthenium Complexes.","Inorganic chemistry","2016","55","6","3105","3116","10.1021/acs.inorgchem.6b00038","","","0.71075","MoKα","","0.0672","0.0608","","","0.1502","0.1555","","","","","","1.046","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347337","13.346","0.003","13.673","0.004","13.733","0.003","65.766","0.015","62.937","0.014","77.553","0.018","2033.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H35 Cl N8 O6 Ru -","- C45 H35 Cl N8 O6 Ru -","- C90 H70 Cl2 N16 O12 Ru2 -","2","1","","Mondal, Prasenjit; Chatterjee, Madhumita; Paretzki, Alexa; Beyer, Katharina; Kaim, Wolfgang; Lahiri, Goutam Kumar","Noninnocence of Indigo: Dehydroindigo Anions as Bridging Electron-Donor Ligands in Diruthenium Complexes.","Inorganic chemistry","2016","55","6","3105","3116","10.1021/acs.inorgchem.6b00038","","","0.7107","MoKα","","0.0597","0.0482","","","0.1061","0.1152","","","","","","1.054","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347338","13.2183","0.0006","16.9966","0.0008","19.7511","0.001","90","","90","","90","","4437.4","0.4","273","2","273","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50 H36 Br2 Cl2 N O Os P2 -","- C50 H36 Br2 Cl2 N O Os P2 -","- C200 H144 Br8 Cl8 N4 O4 Os4 P8 -","4","1","","Bera, Sachinath; Mondal, Sandip; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Radical and Non-Radical States of the [Os(PIQ)] Core (PIQ = 9,10-Phenanthreneiminoquinone): Iminosemiquinone to Iminoquinone Conversion Promoted o-Metalation Reaction.","Inorganic chemistry","2016","55","10","4746","4756","10.1021/acs.inorgchem.6b00040","","","0.71073","MoKα","","0.0553","0.0461","","","0.132","0.1487","","","","","","1.08","","","","has coordinates","232274","2020-10-21","18:00:00",""
"4347339","12.08","0.002","18.586","0.003","21.058","0.004","90","","96.676","0.003","90","","4695.9","1.4","100","2","100","2","","","","","","","dichloromethane, hexane","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H42 Br2 Cl4 N O Os P2 -","- C52 H42 Br2 Cl4 N O Os P2 -","- C208 H168 Br8 Cl16 N4 O4 Os4 P8 -","4","1","","Bera, Sachinath; Mondal, Sandip; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Radical and Non-Radical States of the [Os(PIQ)] Core (PIQ = 9,10-Phenanthreneiminoquinone): Iminosemiquinone to Iminoquinone Conversion Promoted o-Metalation Reaction.","Inorganic chemistry","2016","55","10","4746","4756","10.1021/acs.inorgchem.6b00040","","","0.71073","MoKα","","0.0391","0.0309","","","0.0759","0.08","","","","","","1.029","","","","has coordinates,has disorder","232275","2020-10-21","18:00:00",""
"4347340","24.3136","0.0011","9.5495","0.0004","23.6568","0.001","90","","118.118","0.001","90","","4844.4","0.4","114","2","114","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H41 Br3 Cl4 N O Os P2 -","- C52 H41 Br3 Cl4 N O Os P2 -","- C208 H164 Br12 Cl16 N4 O4 Os4 P8 -","4","1","","Bera, Sachinath; Mondal, Sandip; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Radical and Non-Radical States of the [Os(PIQ)] Core (PIQ = 9,10-Phenanthreneiminoquinone): Iminosemiquinone to Iminoquinone Conversion Promoted o-Metalation Reaction.","Inorganic chemistry","2016","55","10","4746","4756","10.1021/acs.inorgchem.6b00040","","","0.71073","MoKα","","0.0461","0.0402","","","0.0904","0.0937","","","","","","0.955","","","","has coordinates","232276","2020-10-21","18:00:00",""
"4347341","23.82","0.003","11.711","0.002","18.232","0.002","90","","117.499","0.003","90","","4511.3","1.1","297","2","297","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H39 Br N O2 Os P2 -","- C51 H39 Br N O2 Os P2 -","- C204 H156 Br4 N4 O8 Os4 P8 -","4","0.5","","Bera, Sachinath; Mondal, Sandip; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Radical and Non-Radical States of the [Os(PIQ)] Core (PIQ = 9,10-Phenanthreneiminoquinone): Iminosemiquinone to Iminoquinone Conversion Promoted o-Metalation Reaction.","Inorganic chemistry","2016","55","10","4746","4756","10.1021/acs.inorgchem.6b00040","","","0.71073","MoKα","","0.0334","0.031","","","0.0743","0.0761","","","","","","1.126","","","","has coordinates,has disorder","232277","2020-10-21","18:00:00",""
"4347342","23.756","0.003","11.7038","0.0015","18.121","0.002","90","","116.87","0.006","90","","4494.3","1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H39 Br2 N O Os P2 -","- C50 H39 Br2 N O Os P2 -","- C200 H156 Br8 N4 O4 Os4 P8 -","4","0.5","","Bera, Sachinath; Mondal, Sandip; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Radical and Non-Radical States of the [Os(PIQ)] Core (PIQ = 9,10-Phenanthreneiminoquinone): Iminosemiquinone to Iminoquinone Conversion Promoted o-Metalation Reaction.","Inorganic chemistry","2016","55","10","4746","4756","10.1021/acs.inorgchem.6b00040","","","0.71073","MoKα","","0.0424","0.0361","","","0.0888","0.0911","","","","","","1.074","","","","has coordinates,has disorder","232278","2020-10-21","18:00:00",""
"4347343","19.2601","0.0005","19.7648","0.0006","21.6077","0.0006","78.141","0.002","82.001","0.002","79.392","0.002","7868.3","0.4","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C103 H76 Ag9 N8 O22 S9 Zn3 -","- C103 H76 Ag9 N8 O22 S9 Zn3 -","- C206 H152 Ag18 N16 O44 S18 Zn6 -","2","1","","Wang, Zhi; Zhuang, Gui-Lin; Deng, Yong-Kai; Feng, Zhen-Yu; Cao, Zhao-Zhen; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di","Near-Infrared Emitters: Stepwise Assembly of Two Heteropolynuclear Clusters with Tunable Ag(I):Zn(II) Ratio.","Inorganic chemistry","2016","55","10","4757","4763","10.1021/acs.inorgchem.6b00044","","","1.54178","CuKα","","0.11","0.0798","","","0.198","0.2169","","","","","","0.935","","","","has coordinates","232279","2020-10-21","18:00:00",""
"4347344","20.2213","0.0009","20.5331","0.0012","26.3995","0.0012","107.385","0.004","104.141","0.003","105.049","0.004","9465.5","0.9","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C163 H121 Ag9 N20 O21 S9 Zn5 -","- C163 H121 Ag9 N20 O21 S9 Zn5 -","- C326 H242 Ag18 N40 O42 S18 Zn10 -","2","1","","Wang, Zhi; Zhuang, Gui-Lin; Deng, Yong-Kai; Feng, Zhen-Yu; Cao, Zhao-Zhen; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di","Near-Infrared Emitters: Stepwise Assembly of Two Heteropolynuclear Clusters with Tunable Ag(I):Zn(II) Ratio.","Inorganic chemistry","2016","55","10","4757","4763","10.1021/acs.inorgchem.6b00044","","","1.54178","CuKα","","0.1815","0.0941","","","0.2185","0.2578","","","","","","0.865","","","","has coordinates","232279","2020-10-21","18:00:00",""
"4347345","13.5336","0.0006","17.1124","0.0007","19.7007","0.0008","65.644","0.0001","74.784","0.0001","77.263","0.0001","3977.9","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H63 N2 Pt Sn -","- C39 H63 N2 Pt Sn -","- C156 H252 N8 Pt4 Sn4 -","4","2","","Koppaka, Anjaneyulu; Captain, Burjor","Reversible Inter- and Intramolecular Carbon-Hydrogen Activation, Hydrogen Addition, and Catalysis by the Unsaturated Complex Pt(IPr)(SnBu(t)3)(H).","Inorganic chemistry","2016","55","6","2679","2681","10.1021/acs.inorgchem.6b00048","","","0.71073","MoKα","","0.0478","0.0394","","","0.1024","0.1094","","","","","","1.022","","","","has coordinates","232280","2020-10-21","18:00:00",""
"4347346","12.3953","0.0007","23.4889","0.0013","16.2028","0.0009","90","","94.834","0.001","90","","4700.7","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H77 N2 Pt Sn -","- C45 H77 N2 Pt Sn -","- C180 H308 N8 Pt4 Sn4 -","4","1","","Koppaka, Anjaneyulu; Captain, Burjor","Reversible Inter- and Intramolecular Carbon-Hydrogen Activation, Hydrogen Addition, and Catalysis by the Unsaturated Complex Pt(IPr)(SnBu(t)3)(H).","Inorganic chemistry","2016","55","6","2679","2681","10.1021/acs.inorgchem.6b00048","","","0.71073","MoKα","","0.0309","0.0253","","","0.0631","0.065","","","","","","1","","","","has coordinates","232280","2020-10-21","18:00:00",""
"4347347","12.8834","0.0019","12.0573","0.0017","26.795","0.004","90","","101.137","0.002","90","","4083.9","1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N2 Pt Sn -","- C39 H63 N2 Pt Sn -","- C156 H252 N8 Pt4 Sn4 -","4","1","","Koppaka, Anjaneyulu; Captain, Burjor","Reversible Inter- and Intramolecular Carbon-Hydrogen Activation, Hydrogen Addition, and Catalysis by the Unsaturated Complex Pt(IPr)(SnBu(t)3)(H).","Inorganic chemistry","2016","55","6","2679","2681","10.1021/acs.inorgchem.6b00048","","","0.71073","MoKα","","0.1095","0.058","","","0.1078","0.1261","","","","","","1.009","","","","has coordinates","232280","2020-10-21","18:00:00",""
"4347348","12.8695","0.0006","12.0526","0.0006","26.8601","0.0012","90","","101.054","0.001","90","","4089","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N2 Pt Sn -","- C39 H63 N2 Pt Sn -","- C156 H252 N8 Pt4 Sn4 -","4","1","","Koppaka, Anjaneyulu; Captain, Burjor","Reversible Inter- and Intramolecular Carbon-Hydrogen Activation, Hydrogen Addition, and Catalysis by the Unsaturated Complex Pt(IPr)(SnBu(t)3)(H).","Inorganic chemistry","2016","55","6","2679","2681","10.1021/acs.inorgchem.6b00048","","","0.71073","MoKα","","0.0428","0.0291","","","0.0663","0.0724","","","","","","1.03","","","","has coordinates","232280","2020-10-21","18:00:00",""
"4347349","20.0223","0.0013","12.4136","0.0008","19.6166","0.0013","90","","110.883","0.001","90","","4555.4","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H72 N2 Pt Sn -","- C47 H72 N2 Pt Sn -","- C188 H288 N8 Pt4 Sn4 -","4","1","","Koppaka, Anjaneyulu; Captain, Burjor","Reversible Inter- and Intramolecular Carbon-Hydrogen Activation, Hydrogen Addition, and Catalysis by the Unsaturated Complex Pt(IPr)(SnBu(t)3)(H).","Inorganic chemistry","2016","55","6","2679","2681","10.1021/acs.inorgchem.6b00048","","","0.71073","MoKα","","0.0586","0.0382","","","0.0673","0.0717","","","","","","1.046","","","","has coordinates","232280","2020-10-21","18:00:00",""
"4347350","24.785","0.0009","12.2744","0.0004","27.2533","0.001","90","","114.686","0.001","90","","7533.3","0.5","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H52 N2 Pt -","- C43 H52 N2 Pt -","- C344 H416 N16 Pt8 -","8","2","","Koppaka, Anjaneyulu; Captain, Burjor","Reversible Inter- and Intramolecular Carbon-Hydrogen Activation, Hydrogen Addition, and Catalysis by the Unsaturated Complex Pt(IPr)(SnBu(t)3)(H).","Inorganic chemistry","2016","55","6","2679","2681","10.1021/acs.inorgchem.6b00048","","","0.71073","MoKα","","0.0261","0.0197","","","0.0436","0.0463","","","","","","1.04","","","","has coordinates","232280","2020-10-21","18:00:00",""
"4347351","15.4979","0.0009","13.4644","0.0007","32.4682","0.0018","90","","90","","90","","6775.1","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20.4 H10.8 In2 N1.2 O13.4 -","- C20.4 H10.8 In2 N1.2 O13.4 -","- C163.2 H86.4 In16 N9.6 O107.2 -","8","1","","Liu, Lin; Wang, Shi-Ming; Han, Zheng-Bo; Ding, Meili; Yuan, Da-Qiang; Jiang, Hai-Long","Exceptionally Robust In-Based Metal-Organic Framework for Highly Efficient Carbon Dioxide Capture and Conversion.","Inorganic chemistry","2016","55","7","3558","3565","10.1021/acs.inorgchem.6b00050","","","0.71073","MoKα","","0.0754","0.0555","","","0.1249","0.1338","","","","","","1.109","","","","has coordinates,has disorder","232281","2020-10-21","18:00:00",""
"4347352","12.559","0.001","12.7306","0.001","13.1308","0.0011","74.947","0.005","75.928","0.005","79.839","0.005","1952.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H41 Cl Mo N3 P2 -","- C47 H41 Cl Mo N3 P2 -","- C94 H82 Cl2 Mo2 N6 P4 -","2","1","","Bezdek, Máté J; Guo, Sheng; Chirik, Paul J.","Terpyridine Molybdenum Dinitrogen Chemistry: Synthesis of Dinitrogen Complexes That Vary by Five Oxidation States.","Inorganic chemistry","2016","55","6","3117","3127","10.1021/acs.inorgchem.6b00053","","","1.54178","CuKα","","0.1071","0.0822","","","0.1722","0.1879","","","","","","1.043","","","","has coordinates,has disorder","232282","2020-10-21","18:00:00",""
"4347353","13.3083","0.0004","16.7804","0.0004","34.3598","0.0009","85.775","0.001","82.71","0.001","88.786","0.001","7589.9","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C164 H111 B2 F49 Mo2 N8 P4 -","- C164 H111 B2 F49 Mo2 N8 P4 -","- C328 H222 B4 F98 Mo4 N16 P8 -","2","1","","Bezdek, Máté J; Guo, Sheng; Chirik, Paul J.","Terpyridine Molybdenum Dinitrogen Chemistry: Synthesis of Dinitrogen Complexes That Vary by Five Oxidation States.","Inorganic chemistry","2016","55","6","3117","3127","10.1021/acs.inorgchem.6b00053","","","1.54178","CuKα","","0.0377","0.033","","","0.0845","0.0879","","","","","","1.048","","","","has coordinates,has disorder","232282","2020-10-21","18:00:00",""
"4347354","15.9083","0.0009","10.9914","0.0006","22.853","0.0012","90","","105.216","0.006","90","","3855.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H72 Ag2 I2 P6 -","- C90 H72 Ag2 I2 P6 -","- C180 H144 Ag4 I4 P12 -","2","0.5","","Chen, Jin; Teng, Teng; Kang, Liju; Chen, Xu-Lin; Wu, Xiao-Yuan; Yu, Rongmin; Lu, Can-Zhong","Highly Efficient Thermally Activated Delayed Fluorescence in Dinuclear Ag(I) Complexes with a Bis-Bidentate Tetraphosphane Bridging Ligand.","Inorganic chemistry","2016","55","19","9528","9536","10.1021/acs.inorgchem.6b00068","","","1.54178","CuKα","","0.0751","0.0651","","","0.1723","0.1938","","","","","","1.058","","","","has coordinates","232283","2020-10-21","18:00:00",""
"4347355","11.5439","0.0005","12.3705","0.0003","15.2295","0.0006","100.985","0.003","109.494","0.004","101.165","0.003","1933.29","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H72 Ag2 Br2 P6 -","- C90 H72 Ag2 Br2 P6 -","- C90 H72 Ag2 Br2 P6 -","1","0.5","","Chen, Jin; Teng, Teng; Kang, Liju; Chen, Xu-Lin; Wu, Xiao-Yuan; Yu, Rongmin; Lu, Can-Zhong","Highly Efficient Thermally Activated Delayed Fluorescence in Dinuclear Ag(I) Complexes with a Bis-Bidentate Tetraphosphane Bridging Ligand.","Inorganic chemistry","2016","55","19","9528","9536","10.1021/acs.inorgchem.6b00068","","","1.54184","CuKα","","0.0274","0.0253","","","0.0649","0.0668","","","","","","1.025","","","","has coordinates","232284","2020-10-21","18:00:00",""
"4347356","9.4551","0.0006","10.5596","0.0007","18.3639","0.0013","80.269","0.001","85.391","0.001","80.705","0.001","1780.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H39 F12 Fe N O5 -","- C32 H36 F12 Fe N O5 -","- C64 H72 F24 Fe2 N2 O10 -","2","1","","Pascualini, Matias E.; Stoian, Sebastian A.; Ozarowski, Andrew; Abboud, Khalil A.; Veige, Adam S.","Solid State Collapse of a High-Spin Square-Planar Fe(II) Complex, Solution Phase Dynamics, and Electronic Structure Characterization of an Fe(II)2 Dimer.","Inorganic chemistry","2016","55","11","5191","5200","10.1021/acs.inorgchem.6b00075","","","0.71073","MoKα","","0.0383","0.029","","","0.0737","0.076","","","","","","1.066","","","","has coordinates","232285","2020-10-21","18:00:00",""
"4347357","9.1413","0.0002","19.4335","0.0007","28.6894","0.0009","90","","98.911","0.001","90","","5035.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 B6 Ir2 -","- C20 H36 B6 Ir2 -","- C160 H288 B48 Ir16 -","8","2","","Roy, Dipak Kumar; Borthakur, Rosmita; Prakash, Rini; Bhattacharya, Somnath; Jagan, Rajamony; Ghosh, Sundargopal","Hypoelectronic 8-11-Vertex Irida- and Rhodaboranes.","Inorganic chemistry","2016","55","10","4764","4770","10.1021/acs.inorgchem.6b00076","","","0.71073","MoKα","","0.0714","0.0437","","","0.0858","0.1002","","","","","","1.163","","","","has coordinates","232286","2020-10-21","18:00:00",""
"4347358","16.4805","0.0014","19.9995","0.0011","16.6991","0.0014","90","","117.242","0.011","90","","4893.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 B6 Ir2 -","- C20 H36 B6 Ir2 -","- C160 H288 B48 Ir16 -","8","2","","Roy, Dipak Kumar; Borthakur, Rosmita; Prakash, Rini; Bhattacharya, Somnath; Jagan, Rajamony; Ghosh, Sundargopal","Hypoelectronic 8-11-Vertex Irida- and Rhodaboranes.","Inorganic chemistry","2016","55","10","4764","4770","10.1021/acs.inorgchem.6b00076","","","0.71073","MoKα","","0.1212","0.0831","","","0.2211","0.2706","","","","","","1.077","","","","has coordinates","232286","2020-10-21","18:00:00",""
"4347359","9.1768","0.0002","9.2116","0.0002","16.3496","0.0004","99.379","0.001","101.76","0.001","102.741","0.001","1288.09","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H37 B7 Ir2 -","- C20 H37 B7 Ir2 -","- C40 H74 B14 Ir4 -","2","1","","Roy, Dipak Kumar; Borthakur, Rosmita; Prakash, Rini; Bhattacharya, Somnath; Jagan, Rajamony; Ghosh, Sundargopal","Hypoelectronic 8-11-Vertex Irida- and Rhodaboranes.","Inorganic chemistry","2016","55","10","4764","4770","10.1021/acs.inorgchem.6b00076","","","0.71073","MoKα","","0.0427","0.033","","","0.086","0.0952","","","","","","1.062","","","","has coordinates,has disorder","232286","2020-10-21","18:00:00",""
"4347360","23.9473","0.001","23.9473","0.001","9.1337","0.0004","90","","90","","90","","5237.9","0.4","296","2","296","2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","","","- C20 H38 B8 Ir2 -","- C20 H38 B8 Ir2 -","- C160 H304 B64 Ir16 -","8","1","","Roy, Dipak Kumar; Borthakur, Rosmita; Prakash, Rini; Bhattacharya, Somnath; Jagan, Rajamony; Ghosh, Sundargopal","Hypoelectronic 8-11-Vertex Irida- and Rhodaboranes.","Inorganic chemistry","2016","55","10","4764","4770","10.1021/acs.inorgchem.6b00076","","","0.71073","MoKα","","0.0471","0.0313","","","0.0654","0.076","","","","","","1.229","","","","has coordinates","232286","2020-10-21","18:00:00",""
"4347361","17.8713","0.0014","9.5072","0.0007","14.8172","0.0011","90","","90","","90","","2517.5","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H38 B8 Ir2 -","- C20 H38 B8 Ir2 -","- C80 H152 B32 Ir8 -","4","1","","Roy, Dipak Kumar; Borthakur, Rosmita; Prakash, Rini; Bhattacharya, Somnath; Jagan, Rajamony; Ghosh, Sundargopal","Hypoelectronic 8-11-Vertex Irida- and Rhodaboranes.","Inorganic chemistry","2016","55","10","4764","4770","10.1021/acs.inorgchem.6b00076","","","0.71073","MoKα","","0.0462","0.038","","","0.0758","0.0792","","","","","","1.016","","","","has coordinates","232286","2020-10-21","18:00:00",""
"4347362","19.8685","0.0016","14.4875","0.001","24.6277","0.0013","90","","90","","90","","7089","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H25 B9 Rh -","- C10 H25 B9 Rh -","- C160 H400 B144 Rh16 -","16","2","","Roy, Dipak Kumar; Borthakur, Rosmita; Prakash, Rini; Bhattacharya, Somnath; Jagan, Rajamony; Ghosh, Sundargopal","Hypoelectronic 8-11-Vertex Irida- and Rhodaboranes.","Inorganic chemistry","2016","55","10","4764","4770","10.1021/acs.inorgchem.6b00076","","","0.71073","MoKα","","0.0948","0.0681","","","0.1598","0.1817","","","","","","1.08","","","","has coordinates","232286","2020-10-21","18:00:00",""
"4347363","8.5307","0.0004","14.5958","0.0006","21.0227","0.0009","90","","100.675","0.002","90","","2572.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H39 B9 Ir2 -","- C20 H39 B9 Ir2 -","- C80 H156 B36 Ir8 -","4","1","","Roy, Dipak Kumar; Borthakur, Rosmita; Prakash, Rini; Bhattacharya, Somnath; Jagan, Rajamony; Ghosh, Sundargopal","Hypoelectronic 8-11-Vertex Irida- and Rhodaboranes.","Inorganic chemistry","2016","55","10","4764","4770","10.1021/acs.inorgchem.6b00076","","","0.71073","MoKα","","0.0535","0.0404","","","0.0824","0.0886","","","","","","1.1","","","","has coordinates","232286","2020-10-21","18:00:00",""
"4347364","8.574","0.0002","14.7851","0.0004","21.0913","0.0005","90","","100.863","0.0012","90","","2625.78","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H39 B9 Rh2 -","- C20 H39 B9 Rh2 -","- C80 H156 B36 Rh8 -","4","1","","Roy, Dipak Kumar; Borthakur, Rosmita; Prakash, Rini; Bhattacharya, Somnath; Jagan, Rajamony; Ghosh, Sundargopal","Hypoelectronic 8-11-Vertex Irida- and Rhodaboranes.","Inorganic chemistry","2016","55","10","4764","4770","10.1021/acs.inorgchem.6b00076","","","0.71073","MoKα","","0.051","0.0372","","","0.0888","0.0961","","","","","","1.029","","","","has coordinates","232286","2020-10-21","18:00:00",""
"4347365","34.693","0.003","15.4852","0.0013","12.4208","0.001","90","","90","","90","","6672.8","1","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Cerium(III) PDA","","","- C84 H39 Ce3 N12 O24 -","- C84 H39 Ce3 N12 O24 -","- C336 H156 Ce12 N48 O96 -","4","1","","Cary, Samantha K.; Ferrier, Maryline G.; Baumbach, Ryan E.; Silver, Mark A.; Lezama Pacheco, Juan; Kozimor, Stosh A.; La Pierre, Henry S.; Stein, Benjamin W.; Arico, Alexandra A.; Gray, Danielle L.; Albrecht-Schmitt, Thomas E","Monomers, Dimers, and Helices: Complexities of Cerium and Plutonium Phenanthrolinecarboxylates.","Inorganic chemistry","2016","55","9","4373","4380","10.1021/acs.inorgchem.6b00077","","","0.71073","MoKα","","0.0704","0.0478","","","0.1109","0.1243","","","","","","1.058","","","","has coordinates","232287","2020-10-21","18:00:00",""
"4347366","10.888","0.001","18.3035","0.0017","7.9458","0.0007","90","","93.609","0.002","90","","1580.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cerium(III) 1,10-phenanthroline-2,9-dicarboxylic acid","","","- C14 H6 Ce Cl N2 O7 -","- C14 H6 Ce Cl N2 O7 -","- C56 H24 Ce4 Cl4 N8 O28 -","4","1","","Cary, Samantha K.; Ferrier, Maryline G.; Baumbach, Ryan E.; Silver, Mark A.; Lezama Pacheco, Juan; Kozimor, Stosh A.; La Pierre, Henry S.; Stein, Benjamin W.; Arico, Alexandra A.; Gray, Danielle L.; Albrecht-Schmitt, Thomas E","Monomers, Dimers, and Helices: Complexities of Cerium and Plutonium Phenanthrolinecarboxylates.","Inorganic chemistry","2016","55","9","4373","4380","10.1021/acs.inorgchem.6b00077","","","0.71073","MoKα","","0.03","0.0226","","","0.0523","0.0548","","","","","","1.07","","","","has coordinates","232287","2020-10-21","18:00:00",""
"4347367","7.7651","0.0007","11.2347","0.001","14.3242","0.0013","95.438","0.002","99.372","0.002","109.915","0.001","1143.91","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Pu(IV) 1,10-phenanthroline-2,9-dicarboxylic acid","","","- C56 H24 N8 O16 Pu2 -","- C56 H24 N8 O16 Pu2 -","- C56 H24 N8 O16 Pu2 -","1","0.5","","Cary, Samantha K.; Ferrier, Maryline G.; Baumbach, Ryan E.; Silver, Mark A.; Lezama Pacheco, Juan; Kozimor, Stosh A.; La Pierre, Henry S.; Stein, Benjamin W.; Arico, Alexandra A.; Gray, Danielle L.; Albrecht-Schmitt, Thomas E","Monomers, Dimers, and Helices: Complexities of Cerium and Plutonium Phenanthrolinecarboxylates.","Inorganic chemistry","2016","55","9","4373","4380","10.1021/acs.inorgchem.6b00077","","","0.71073","MoKα","","0.0473","0.0356","","","0.0691","0.073","","","","","","1.078","","","","has coordinates","232287","2020-10-21","18:00:00",""
"4347368","9.4747","0.0003","9.9428","0.0003","11.4356","0.0004","87.201","0.0004","69.53","0.0004","69.006","0.0004","938.66","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H13 Cl3 N3 O3 Re -","- C17 H13 Cl3 N3 O3 Re -","- C34 H26 Cl6 N6 O6 Re2 -","2","1","","Stanton, 3rd, Charles J; Machan, Charles W.; Vandezande, Jonathon E.; Jin, Tong; Majetich, George F.; Schaefer, 3rd, Henry F; Kubiak, Clifford P.; Li, Gonghu; Agarwal, Jay","Re(I) NHC Complexes for Electrocatalytic Conversion of CO2.","Inorganic chemistry","2016","55","6","3136","3144","10.1021/acs.inorgchem.6b00079","","","0.71073","MoKα","","0.0128","0.0125","","","0.0296","0.0297","","","","","","1.096","","","","has coordinates","232288","2020-10-21","18:00:00",""
"4347369","10.6001","0.0013","10.6467","0.0013","13.6674","0.0017","90","","99.868","0.002","90","","1519.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl N4 O3 Re -","- C15 H10 Cl N4 O3 Re -","- C60 H40 Cl4 N16 O12 Re4 -","4","1","","Stanton, 3rd, Charles J; Machan, Charles W.; Vandezande, Jonathon E.; Jin, Tong; Majetich, George F.; Schaefer, 3rd, Henry F; Kubiak, Clifford P.; Li, Gonghu; Agarwal, Jay","Re(I) NHC Complexes for Electrocatalytic Conversion of CO2.","Inorganic chemistry","2016","55","6","3136","3144","10.1021/acs.inorgchem.6b00079","","","0.71073","MoKα","","0.0391","0.0328","","","0.0977","0.1035","","","","","","1.044","","","","has coordinates","232289","2020-10-21","18:00:00",""
"4347370","11.0829","0.0003","13.6669","0.0004","15.3382","0.0005","90","","90","","90","","2323.26","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H21 O4 P -","- C31 H21 O4 P -","- C124 H84 O16 P4 -","4","1","","Christianson, Anna M.; Gabbaï, François P","Synthesis and Coordination Chemistry of a Phosphine-Decorated Fluorescein: ""Double Turn-On"" Sensing of Gold(III) Ions in Water.","Inorganic chemistry","2016","55","12","5828","5835","10.1021/acs.inorgchem.6b00080","","","0.71073","MoKα","","0.0642","0.0433","","","0.0823","0.0871","","","","","","1.083","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347371","16.2869","0.0016","11.0402","0.0011","16.8176","0.0017","90","","113.422","0.001","90","","2774.8","0.5","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32.58 H24.67 Au Cl N0.52 O3.53 P -","- C32.581 H24.677 Au Cl N0.527 O3.527 P -","- C130.324 H98.708 Au4 Cl4 N2.108 O14.108 P4 -","4","1","","Christianson, Anna M.; Gabbaï, François P","Synthesis and Coordination Chemistry of a Phosphine-Decorated Fluorescein: ""Double Turn-On"" Sensing of Gold(III) Ions in Water.","Inorganic chemistry","2016","55","12","5828","5835","10.1021/acs.inorgchem.6b00080","","","0.71073","MoKα","","0.0416","0.0287","","","0.059","0.0644","","","","","","1.031","","","","has coordinates,has disorder","232292","2020-10-21","18:00:00",""
"4347372","30.594","0.002","30.594","0.002","15.9646","0.0015","90","","90","","120","","12940.8","1.7","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C24 H16 N10 Ni -","- C24 H16 N10 Ni -","- C432 H288 N180 Ni18 -","18","0.5","","Gao, Xiaonan; Fu, Ai-Yun; Wang, Yao-Yu","Shape-Asymmetry Supramolecular Isomerism in Asymmetrical Ligand PCPs and the Expression Method of Three-Level Isomerism.","Inorganic chemistry","2016","55","9","4330","4334","10.1021/acs.inorgchem.6b00081","","","0.71073","MoKα","","0.2368","0.0703","","","0.0796","0.0994","","","","","","1.019","","","","has coordinates","232293","2020-10-21","18:00:00",""
"4347373","9.113","0.002","15.904","0.004","16.014","0.005","73.488","0.005","74.016","0.005","76.264","0.005","2107.1","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H48 N30 Ni3 -","- C72 H48 N30 Ni3 -","- C72 H48 N30 Ni3 -","1","0.5","","Gao, Xiaonan; Fu, Ai-Yun; Wang, Yao-Yu","Shape-Asymmetry Supramolecular Isomerism in Asymmetrical Ligand PCPs and the Expression Method of Three-Level Isomerism.","Inorganic chemistry","2016","55","9","4330","4334","10.1021/acs.inorgchem.6b00081","","","0.71073","MoKα","","0.1195","0.0635","","","0.1292","0.1394","","","","","","1.046","","","","has coordinates","232293","2020-10-21","18:00:00",""
"4347374","27.7371","0.0017","27.7371","0.0017","9.6225","0.0012","90","","90","","120","","6411.2","1","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H16 N10 Ni -","- C24 H16 N10 Ni -","- C216 H144 N90 Ni9 -","9","0.5","","Gao, Xiaonan; Fu, Ai-Yun; Wang, Yao-Yu","Shape-Asymmetry Supramolecular Isomerism in Asymmetrical Ligand PCPs and the Expression Method of Three-Level Isomerism.","Inorganic chemistry","2016","55","9","4330","4334","10.1021/acs.inorgchem.6b00081","","","0.71073","MoKα","","0.1342","0.0475","","","0.0823","0.0926","","","","","","1.038","","","","has coordinates","232293","2020-10-21","18:00:00",""
"4347375","9.063","0.003","14.691","0.005","9.143","0.003","90","","106.547","0.005","90","","1166.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16.52 N10 Ni O0.26 -","- C24 H16.52 N10 Ni O0.26 -","- C48 H33.04 N20 Ni2 O0.52 -","2","0.5","","Gao, Xiaonan; Fu, Ai-Yun; Wang, Yao-Yu","Shape-Asymmetry Supramolecular Isomerism in Asymmetrical Ligand PCPs and the Expression Method of Three-Level Isomerism.","Inorganic chemistry","2016","55","9","4330","4334","10.1021/acs.inorgchem.6b00081","","","0.71073","MoKα","","0.0274","0.0247","","","0.067","0.0695","","","","","","1.058","","","","has coordinates","232293","2020-10-21","18:00:00",""
"4347376","7.8209","0.0005","21.6264","0.0014","11.6972","0.0007","90","","90","","90","","1978.4","0.2","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H14 F6 N8 Pt -","- C17 H14 F6 N8 Pt -","- C68 H56 F24 N32 Pt4 -","4","0.5","","Liao, Jia-Ling; Chi, Yun; Wang, Jin-Yun; Chen, Zhong-Ning; Tsai, Zheng-Hua; Hung, Wen-Yi; Tseng, Meu-Rurng; Lee, Gene-Hsiang","Pt(II) Phosphors Featuring Both Dicarbene and Functional Biazolate Chelates: Synthesis, Luminescent Properties, and Applications in Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","13","6394","6404","10.1021/acs.inorgchem.6b00097","","","0.71073","MoKα","","0.0246","0.0221","","","0.0505","0.0517","","","","","","1.059","","","","has coordinates,has disorder","232294","2020-10-21","18:00:00",""
"4347377","11.5196","0.0006","12.2014","0.0007","13.1408","0.0007","67.4083","0.0011","65.8115","0.001","83.5424","0.0012","1553.34","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.5 H29 Cl3 F6 N8 Pt -","- C24.5 H29 Cl3 F6 N8 Pt -","- C49 H58 Cl6 F12 N16 Pt2 -","2","1","","Liao, Jia-Ling; Chi, Yun; Wang, Jin-Yun; Chen, Zhong-Ning; Tsai, Zheng-Hua; Hung, Wen-Yi; Tseng, Meu-Rurng; Lee, Gene-Hsiang","Pt(II) Phosphors Featuring Both Dicarbene and Functional Biazolate Chelates: Synthesis, Luminescent Properties, and Applications in Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","13","6394","6404","10.1021/acs.inorgchem.6b00097","","","0.71073","MoKα","","0.0387","0.0349","","","0.0842","0.0863","","","","","","1.063","","","","has coordinates,has disorder","232294","2020-10-21","18:00:00",""
"4347378","10.2995","0.0006","10.7219","0.0006","14.7831","0.0008","96.1523","0.0012","103.387","0.0012","98.3918","0.0012","1554.2","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 F6 N6 O Pt -","- C29 H34 F6 N6 O Pt -","- C58 H68 F12 N12 O2 Pt2 -","2","1","","Liao, Jia-Ling; Chi, Yun; Wang, Jin-Yun; Chen, Zhong-Ning; Tsai, Zheng-Hua; Hung, Wen-Yi; Tseng, Meu-Rurng; Lee, Gene-Hsiang","Pt(II) Phosphors Featuring Both Dicarbene and Functional Biazolate Chelates: Synthesis, Luminescent Properties, and Applications in Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","13","6394","6404","10.1021/acs.inorgchem.6b00097","","","0.71073","MoKα","","0.0337","0.0288","","","0.064","0.0661","","","","","","1.023","","","","has coordinates","232294","2020-10-21","18:00:00",""
"4347379","12.431","0.003","8.2243","0.0012","16.179","0.003","90","","103.514","0.018","90","","1608.3","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N3 -","- C16 H21 N3 -","- C64 H84 N12 -","4","1","","Chen, Yuxiang; Cao, Wei; Wang, Chiming; Qi, Dongdong; Wang, Kang; Jiang, Jianzhuang","Four Dibutylamino Substituents Are Better Than Eight in Modulating the Electronic Structure and Third-Order Nonlinear-Optical Properties of Phthalocyanines.","Inorganic chemistry","2016","55","6","3151","3160","10.1021/acs.inorgchem.6b00100","","","0.71073","MoKα","","0.1758","0.083","","","0.2276","0.2915","","","","","","0.983","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347380","14.2971","0.0014","9.9436","0.001","17.5443","0.0018","90","","108.113","0.011","90","","2370.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 N4 -","- C24 H38 N4 -","- C96 H152 N16 -","4","1","","Chen, Yuxiang; Cao, Wei; Wang, Chiming; Qi, Dongdong; Wang, Kang; Jiang, Jianzhuang","Four Dibutylamino Substituents Are Better Than Eight in Modulating the Electronic Structure and Third-Order Nonlinear-Optical Properties of Phthalocyanines.","Inorganic chemistry","2016","55","6","3151","3160","10.1021/acs.inorgchem.6b00100","","","0.71073","MoKα","","0.1004","0.0513","","","0.1252","0.1494","","","","","","0.967","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347381","11.8019","0.0015","12.1788","0.0015","12.6763","0.0015","77.751","0.005","77.748","0.005","63.279","0.004","1576.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H68 N8 Ni4 O21 P2 -","- C47 H65 N8 Ni4 O21 P2 -","- C47 H65 N8 Ni4 O21 P2 -","1","0.5","","Escuer, Albert; Mayans, Júlia; Font-Bardia, Mercè","Linked Nickel Metallacrowns from a Phosphonate/2-Pyridyloximate Blend of Ligands: Structure and Magnetic Properties.","Inorganic chemistry","2016","55","6","3161","3168","10.1021/acs.inorgchem.6b00103","","","0.71073","MoKα","","0.0764","0.0597","","","0.1499","0.1614","","","","","","1.074","","","","has coordinates,has disorder","232297","2020-10-21","18:00:00",""
"4347382","15.7965","0.0019","16.522","0.002","16.532","0.002","82.452","0.005","80.595","0.005","78.461","0.005","4148.9","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H91 Cs2 N12 Ni6 O32 P3 -","- C60 H69 Cs2 N12 Ni6 O32 P3 -","- C120 H138 Cs4 N24 Ni12 O64 P6 -","2","1","","Escuer, Albert; Mayans, Júlia; Font-Bardia, Mercè","Linked Nickel Metallacrowns from a Phosphonate/2-Pyridyloximate Blend of Ligands: Structure and Magnetic Properties.","Inorganic chemistry","2016","55","6","3161","3168","10.1021/acs.inorgchem.6b00103","","","0.71073","MoKα","","0.071","0.0619","","","0.1464","0.1523","","","","","","1.137","","","","has coordinates,has disorder","232297","2020-10-21","18:00:00",""
"4347383","23.042","0.0013","23.042","0.0013","23.042","0.0013","90","","90","","90","","12233.8","1.2","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C103 H109 Cl5 Cs N24 Ni8 O42 P3 -","- C103 H105 Cl5 Cs N24 Ni8 O42 P3 -","- C412 H420 Cl20 Cs4 N96 Ni32 O168 P12 -","4","0.333333","","Escuer, Albert; Mayans, Júlia; Font-Bardia, Mercè","Linked Nickel Metallacrowns from a Phosphonate/2-Pyridyloximate Blend of Ligands: Structure and Magnetic Properties.","Inorganic chemistry","2016","55","6","3161","3168","10.1021/acs.inorgchem.6b00103","","","0.71073","MoKα","","0.0773","0.0723","","","0.2016","0.2068","","","","","","1.068","","","","has coordinates","232297","2020-10-21","18:00:00",""
"4347384","18.6908","0.0008","18.6908","0.0008","22.3049","0.0009","90","","90","","120","","6748.2","0.5","100","2","100","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C102 H97.5 N12 Na2 Ni8 O33 P3 -","- C102 H87 N12 Na2 Ni8 O33 P3 -","- C204 H174 N24 Na4 Ni16 O66 P6 -","2","0.166667","","Escuer, Albert; Mayans, Júlia; Font-Bardia, Mercè","Linked Nickel Metallacrowns from a Phosphonate/2-Pyridyloximate Blend of Ligands: Structure and Magnetic Properties.","Inorganic chemistry","2016","55","6","3161","3168","10.1021/acs.inorgchem.6b00103","","","0.71073","MoKα","","0.0428","0.0391","","","0.1073","0.11","","","","","","1.107","","","","has coordinates","289268","2024-02-02","08:58:43",""
"4347385","7.6789","0.0002","13.7771","0.0004","8.708","0.0003","90","","107.606","0.003","90","","878.09","0.05","120","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H18 Cu2 N4 O12 S -","- C9 H18 Cu2 N4 O12 S -","- C18 H36 Cu4 N8 O24 S2 -","2","0.5","","Gómez-García, Carlos J; Escrivà, Emilio; Benmansour, Samia; Borràs-Almenar, Juan J; Folgado, José-Vicente; Ramírez de Arellano, Carmen","Alternating Ferro/Antiferromagnetic Copper(II) Chain Containing an Unprecedented Triple Formato/Hydroxido/Sulfato Bridge.","Inorganic chemistry","2016","55","5","2664","2671","10.1021/acs.inorgchem.6b00105","","","0.71073","MoKα","","0.0455","0.034","","","0.0756","0.0841","","","","","","1.035","","","","has coordinates,has disorder","232298","2020-10-21","18:00:00",""
"4347386","7.6724","0.0004","13.749","0.0005","8.71","0.0004","90","","107.531","0.003","90","","876.12","0.07","120","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H18 Cu2 N4 O12 S -","- C9 H18 Cu2 N4 O12 S -","- C18 H36 Cu4 N8 O24 S2 -","2","0.5","","Gómez-García, Carlos J; Escrivà, Emilio; Benmansour, Samia; Borràs-Almenar, Juan J; Folgado, José-Vicente; Ramírez de Arellano, Carmen","Alternating Ferro/Antiferromagnetic Copper(II) Chain Containing an Unprecedented Triple Formato/Hydroxido/Sulfato Bridge.","Inorganic chemistry","2016","55","5","2664","2671","10.1021/acs.inorgchem.6b00105","","","0.71073","MoKα","","0.0334","0.0285","","","0.0674","0.072","","","","","","1.049","","","","has coordinates,has disorder","232299","2020-10-21","18:00:00",""
"4347387","14.034","0.0003","13.3498","0.0002","50.7076","0.0009","90","","94.657","0.001","90","","9468.8","0.3","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H58 B4 Co4 F16 N34 -","- C80 H58 B4 Co4 F16 N34 -","- C320 H232 B16 Co16 F64 N136 -","4","1","","Tong, Jin; Demeshko, Serhiy; John, Michael; Dechert, Sebastian; Meyer, Franc","Redox-Induced Single-Molecule Magnetism in Mixed-Valent [2 × 2] Co4 Grid Complexes.","Inorganic chemistry","2016","55","9","4362","4372","10.1021/acs.inorgchem.6b00106","","","0.71073","MoKα","","0.0682","0.0542","","","0.1444","0.1528","","","","","","1.032","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347388","17.2359","0.0003","17.2359","0.0003","13.2617","0.0002","90","","90","","90","","3939.74","0.11","133","2","133","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C80 H60 B4 Co4 F16 N32 -","- C80 H60 B4 Co4 F16 N32 -","- C160 H120 B8 Co8 F32 N64 -","2","0.25","","Tong, Jin; Demeshko, Serhiy; John, Michael; Dechert, Sebastian; Meyer, Franc","Redox-Induced Single-Molecule Magnetism in Mixed-Valent [2 × 2] Co4 Grid Complexes.","Inorganic chemistry","2016","55","9","4362","4372","10.1021/acs.inorgchem.6b00106","","","0.71073","MoKα","","0.0359","0.0314","","","0.0751","0.0775","","","","","","1.08","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347389","12.5051","0.0006","23.2553","0.0006","29.48","0.0012","90","","94.046","0.004","90","","8551.7","0.6","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H55 B6 Co4 F24 N33 O0.5 -","- C78 H55 B6 Co4 F24 N33 O0.5 -","- C312 H220 B24 Co16 F96 N132 O2 -","4","1","","Tong, Jin; Demeshko, Serhiy; John, Michael; Dechert, Sebastian; Meyer, Franc","Redox-Induced Single-Molecule Magnetism in Mixed-Valent [2 ×2] Co4 Grid Complexes.","Inorganic chemistry","2016","55","9","4362","4372","10.1021/acs.inorgchem.6b00106","","","0.71073","MoKα","","0.1161","0.0966","","","0.2244","0.2331","","","","","","1.154","","","","has coordinates,has disorder","232300","2020-10-21","18:00:00",""
"4347390","24.7367","0.0004","24.7367","0.0004","36.3344","0.0007","90","","90","","90","","22233.2","0.7","133","2","133","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C80 H60 B6 Co4 F24 N32 -","- C80 H60 B6 Co4 F24 N32 -","- C640 H480 B48 Co32 F192 N256 -","8","0.25","","Tong, Jin; Demeshko, Serhiy; John, Michael; Dechert, Sebastian; Meyer, Franc","Redox-Induced Single-Molecule Magnetism in Mixed-Valent [2 ×2] Co4 Grid Complexes.","Inorganic chemistry","2016","55","9","4362","4372","10.1021/acs.inorgchem.6b00106","","","0.71073","MoKα","","0.0818","0.0738","","","0.1527","0.1569","","","","","","1.174","","","","has coordinates,has disorder","232300","2020-10-21","18:00:00",""
"4347391","12.5851","0.0015","18.547","0.003","17.66","0.003","90","","102.982","0.006","90","","4016.8","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- As2 H64 Na0.75 O102 Rb9.25 Sb4 W18 -","- As2 H4 O85 Rb10 Sb4 W18 -","- As4 H8 O170 Rb20 Sb8 W36 -","2","0.5","","Yang, Peng; Lin, Zhengguo; Bassil, Bassem S.; Alfaro-Espinoza, Gabriela; Ullrich, Matthias S.; Li, Ming-Xing; Silvestru, Cristian; Kortz, Ulrich","Tetra-Antimony(III)-Bridged 18-Tungsto-2-Arsenates(V), [(LSb(III))4(A-α-As(V)W9O34)2](10-) (L = Ph, OH): Turning Bioactivity On and Off by Ligand Substitution.","Inorganic chemistry","2016","55","8","3718","3720","10.1021/acs.inorgchem.6b00107","","","0.71073","MoKα","","0.0307","0.0277","","","0.0885","0.0907","","","","","","1.004","","","","has coordinates","232301","2020-10-21","18:00:00",""
"4347392","18.5072","0.0012","24.724","0.0016","26.102","0.0019","90","","109.27","0.004","90","","11274.4","1.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H92 As2 Cs6.5 Na3.5 O104 Sb4 W18 -","- C24 H20 As2 Cs5.8 Na2.5 O92.25 Sb4 W18 -","- C96 H80 As8 Cs23.2 Na10 O369 Sb16 W72 -","4","0.5","","Yang, Peng; Lin, Zhengguo; Bassil, Bassem S.; Alfaro-Espinoza, Gabriela; Ullrich, Matthias S.; Li, Ming-Xing; Silvestru, Cristian; Kortz, Ulrich","Tetra-Antimony(III)-Bridged 18-Tungsto-2-Arsenates(V), [(LSb(III))4(A-α-As(V)W9O34)2](10-) (L = Ph, OH): Turning Bioactivity On and Off by Ligand Substitution.","Inorganic chemistry","2016","55","8","3718","3720","10.1021/acs.inorgchem.6b00107","","","0.71073","MoKα","","0.0779","0.0489","","","0.1168","0.1348","","","","","","1.001","","","","has coordinates","232302","2020-10-21","18:00:00",""
"4347393","17.3425","0.0004","25.9777","0.0004","23.4294","0.0004","90","","111.68","0.002","90","","9808.7","0.3","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C H84 Na11 O116 P2 W18 Y3 -","- C Na11 O116 P2 W18 Y3 -","- C4 Na44 O464 P8 W72 Y12 -","4","1","","Giansiracusa, Marcus J.; Vonci, Michele; Van den Heuvel, Willem; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Yu, Dehong; Mole, Richard A.; Soncini, Alessandro; Boskovic, Colette","Carbonate-Bridged Lanthanoid Triangles: Single-Molecule Magnet Behavior, Inelastic Neutron Scattering, and Ab Initio Studies.","Inorganic chemistry","2016","55","11","5201","5214","10.1021/acs.inorgchem.6b00108","","x-ray","0.71073","MoKα","","0.0931","0.0667","","","0.1646","0.1909","","","","","","1.066","","","","has coordinates,has disorder","232303","2020-10-21","18:00:00",""
"4347394","17.38631","0.00015","26.04125","0.00018","23.4293","0.0002","90","","111.602","0.001","90","","9862.85","0.15","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C H84 Na11 O116 P2 Tb3 W18 -","- C Na11 O114.883 P2 Tb3 W18 -","- C4 Na44 O459.532 P8 Tb12 W72 -","4","1","","Giansiracusa, Marcus J.; Vonci, Michele; Van den Heuvel, Willem; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Yu, Dehong; Mole, Richard A.; Soncini, Alessandro; Boskovic, Colette","Carbonate-Bridged Lanthanoid Triangles: Single-Molecule Magnet Behavior, Inelastic Neutron Scattering, and Ab Initio Studies.","Inorganic chemistry","2016","55","11","5201","5214","10.1021/acs.inorgchem.6b00108","","x-ray","1.54184","CuKα","","0.0382","0.0315","","","0.0693","0.0723","","","","","","1.066","","","","has coordinates,has disorder","232303","2020-10-21","18:00:00",""
"4347395","17.38612","0.00011","26.04781","0.00013","23.41801","0.00014","90","","111.642","0.0007","90","","9857.69","0.11","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C H84 Dy3 Na11 O116 P2 W18 -","- C Dy3 Na11 O116 P2 W18 -","- C4 Dy12 Na44 O464 P8 W72 -","4","1","","Giansiracusa, Marcus J.; Vonci, Michele; Van den Heuvel, Willem; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Yu, Dehong; Mole, Richard A.; Soncini, Alessandro; Boskovic, Colette","Carbonate-Bridged Lanthanoid Triangles: Single-Molecule Magnet Behavior, Inelastic Neutron Scattering, and Ab Initio Studies.","Inorganic chemistry","2016","55","11","5201","5214","10.1021/acs.inorgchem.6b00108","","x-ray","1.54184","CuKα","","0.038","0.0326","","","0.0758","0.0796","","","","","","1.048","","","","has coordinates,has disorder","232303","2020-10-21","18:00:00",""
"4347396","17.31868","0.00014","25.97724","0.00015","23.3379","0.0002","90","","111.488","0.001","90","","9769.73","0.14","130","0.1","130","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C H84 Ho3 Na11 O116 P2 W18 -","- C Ho3 Na11.001 O114 P2 W18 -","- C4 Ho12 Na44.004 O456 P8 W72 -","4","1","","Giansiracusa, Marcus J.; Vonci, Michele; Van den Heuvel, Willem; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Yu, Dehong; Mole, Richard A.; Soncini, Alessandro; Boskovic, Colette","Carbonate-Bridged Lanthanoid Triangles: Single-Molecule Magnet Behavior, Inelastic Neutron Scattering, and Ab Initio Studies.","Inorganic chemistry","2016","55","11","5201","5214","10.1021/acs.inorgchem.6b00108","","","1.54184","CuKα","","0.0307","0.028","","","0.0665","0.0678","","","","","","1.131","","","","has coordinates,has disorder","232303","2020-10-21","18:00:00",""
"4347397","17.37028","0.00019","26.044","0.0002","23.4126","0.0003","90","","111.668","0.0013","90","","9843.2","0.2","135","7","135","7","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C H84 Er3 Na11 O116 P2 W18 -","- C Er3 Na11 O116 P2 W18 -","- C4 Er12 Na44 O464 P8 W72 -","4","1","","Giansiracusa, Marcus J.; Vonci, Michele; Van den Heuvel, Willem; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Yu, Dehong; Mole, Richard A.; Soncini, Alessandro; Boskovic, Colette","Carbonate-Bridged Lanthanoid Triangles: Single-Molecule Magnet Behavior, Inelastic Neutron Scattering, and Ab Initio Studies.","Inorganic chemistry","2016","55","11","5201","5214","10.1021/acs.inorgchem.6b00108","","","1.54184","CuKα","","0.0337","0.0312","","","0.0737","0.0748","","","","","","1.142","","","","has coordinates,has disorder","232303","2020-10-21","18:00:00",""
"4347398","10.7045","0.0004","34.7385","0.0012","17.986","0.0006","90","","101.069","0.001","90","","6563.8","0.4","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C55.5 H39.5 Ba3 La0.5 N2 O18.5 -","- C55.5 H36.5 Ba3 La0.5 N O18.5 -","- C222 H146 Ba12 La2 N4 O74 -","4","1","","Ding, Bin; Liu, Shi Xin; Cheng, Yue; Guo, Chao; Wu, Xiang Xia; Guo, Jian Hua; Liu, Yuan Yuan; Li, Yan","Heterometallic Alkaline Earth-Lanthanide Ba(II)-La(III) Microporous Metal-Organic Framework as Bifunctional Luminescent Probes of Al(3+) and MnO4(.).","Inorganic chemistry","2016","55","9","4391","4402","10.1021/acs.inorgchem.6b00111","","","0.71073","MoKα","","0.0333","0.0317","","","0.0804","0.0814","","","","","","1.055","","","","has coordinates,has disorder","232304","2020-10-21","18:00:00",""
"4347399","8.8195","0.0007","14.5411","0.0012","17.658","0.0013","67.988","0.004","83.402","0.004","73.74","0.004","2015.4","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H52 Cl4 Cu2 N8 O2 P0 -","- C36 H52 Cl4 Cu2 N8 O2 -","- C72 H104 Cl8 Cu4 N16 O4 -","2","1","","Mesquita, Lígia M; Herrera, Federico; Esteves, Catarina V.; Lamosa, Pedro; André, Vânia; Mateus, Pedro; Delgado, Rita","Inhibition of the STAT3 Protein by a Dinuclear Macrocyclic Complex.","Inorganic chemistry","2016","55","7","3589","3598","10.1021/acs.inorgchem.6b00116","","","0.71069","MoKα","","0.0755","0.0439","","","0.1031","0.1137","","","","","","1.032","","","","has coordinates","232305","2020-10-21","18:00:00",""
"4347400","10.9964","0.0003","12.6256","0.0003","28.4208","0.001","90","","90","","90","","3945.8","0.2","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H37 B I2 N2 O3 P2 -","- C38 H37 B I2 N2 O3 P2 -","- C152 H148 B4 I8 N8 O12 P8 -","4","1","","Bertocco, Philipp; Bolli, Christoph; Correia Bicho, Bruno A.; Jenne, Carsten; Erken, Berrin; Laitinen, Risto S.; Seeger, Helene A.; Takaluoma, Teemu T.","Theoretical and Synthetic Study on the Existence, Structures, and Bonding of the Halide-Bridged [B2X7](-) (X = F, Cl, Br, I) Anions.","Inorganic chemistry","2016","55","7","3599","3604","10.1021/acs.inorgchem.6b00118","","","0.71073","MoKα","","0.0612","0.0411","","","0.0679","0.0745","","","","","","1.002","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347401","9.4626","0.0004","10.5499","0.0004","16.9579","0.0004","90.314","0.003","93.38","0.003","94.617","0.003","1684.38","0.1","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H33 Cl4 N P2 -","- C37 H33 Cl4 N P2 -","- C74 H66 Cl8 N2 P4 -","2","1","","Bertocco, Philipp; Bolli, Christoph; Correia Bicho, Bruno A.; Jenne, Carsten; Erken, Berrin; Laitinen, Risto S.; Seeger, Helene A.; Takaluoma, Teemu T.","Theoretical and Synthetic Study on the Existence, Structures, and Bonding of the Halide-Bridged [B2X7](-) (X = F, Cl, Br, I) Anions.","Inorganic chemistry","2016","55","7","3599","3604","10.1021/acs.inorgchem.6b00118","","","0.71073","MoKα","","0.0479","0.0375","","","0.084","0.0896","","","","","","1.025","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347402","15.0162","0.0008","27.5493","0.0008","16.1105","0.0006","90","","112.707","0.005","90","","6148.1","0.5","109.8","0.5","109.8","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 B F4 N P2 -","- C36 H30 B F4 N P2 -","- C288 H240 B8 F32 N8 P16 -","8","2","","Bertocco, Philipp; Bolli, Christoph; Correia Bicho, Bruno A.; Jenne, Carsten; Erken, Berrin; Laitinen, Risto S.; Seeger, Helene A.; Takaluoma, Teemu T.","Theoretical and Synthetic Study on the Existence, Structures, and Bonding of the Halide-Bridged [B2X7](-) (X = F, Cl, Br, I) Anions.","Inorganic chemistry","2016","55","7","3599","3604","10.1021/acs.inorgchem.6b00118","","","0.71073","MoKα","","0.0606","0.0423","","","0.0983","0.1102","","","","","","1.051","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347403","13.2231","0.0005","15.0666","0.0005","18.1737","0.0007","90","","110.029","0.005","90","","3401.7","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 B Cl4 N P2 -","- C36 H30 B Cl4 N P2 -","- C144 H120 B4 Cl16 N4 P8 -","4","1","","Bertocco, Philipp; Bolli, Christoph; Correia Bicho, Bruno A.; Jenne, Carsten; Erken, Berrin; Laitinen, Risto S.; Seeger, Helene A.; Takaluoma, Teemu T.","Theoretical and Synthetic Study on the Existence, Structures, and Bonding of the Halide-Bridged [B2X7](-) (X = F, Cl, Br, I) Anions.","Inorganic chemistry","2016","55","7","3599","3604","10.1021/acs.inorgchem.6b00118","","","0.71073","MoKα","","0.0535","0.0379","","","0.0832","0.0917","","","","","","1.038","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347404","11.2456","0.0002","7.2679","0.0001","14.5517","0.0003","90","","109.493","0.001","90","","1121.17","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H26 B N3 Si -","- C24 H26 B N3 Si -","- C48 H52 B2 N6 Si2 -","2","1","","Jeong, So Yi; Lalancette, Roger A.; Lin, Huina; Lupinska, Patrycja; Shipman, Patrick O.; John, Alexandra; Sheridan, John B.; Jäkle, Frieder","""Third-Generation""-Type Functional Tris(2-pyridyl)borate Ligands and Their Transition-Metal Complexes.","Inorganic chemistry","2016","55","7","3605","3615","10.1021/acs.inorgchem.6b00124","","","1.54178","CuKα","","0.0415","0.0368","","","0.0811","0.0834","","","","","","1.054","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347405","11.4562","0.0003","9.2595","0.0002","17.809","0.0004","90","","97.476","0.001","90","","1873.1","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 B I N3 -","- C21 H17 B I N3 -","- C84 H68 B4 I4 N12 -","4","1","","Jeong, So Yi; Lalancette, Roger A.; Lin, Huina; Lupinska, Patrycja; Shipman, Patrick O.; John, Alexandra; Sheridan, John B.; Jäkle, Frieder","""Third-Generation""-Type Functional Tris(2-pyridyl)borate Ligands and Their Transition-Metal Complexes.","Inorganic chemistry","2016","55","7","3605","3615","10.1021/acs.inorgchem.6b00124","","","1.54178","CuKα","","0.0376","0.0368","","","0.0978","0.0987","","","","","","1.085","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347406","9.2521","0.0006","19.3245","0.0013","24.5948","0.0017","100.575","0.004","100.809","0.004","103.32","0.004","4083.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H70 B2 Mg N6 Si2 -","- C58 H70 B2 Mg N6 Si2 -","- C174 H210 B6 Mg3 N18 Si6 -","3","1.5","","Jeong, So Yi; Lalancette, Roger A.; Lin, Huina; Lupinska, Patrycja; Shipman, Patrick O.; John, Alexandra; Sheridan, John B.; Jäkle, Frieder","""Third-Generation""-Type Functional Tris(2-pyridyl)borate Ligands and Their Transition-Metal Complexes.","Inorganic chemistry","2016","55","7","3605","3615","10.1021/acs.inorgchem.6b00124","","","1.54178","CuKα","","0.085","0.0671","","","0.1624","0.1726","","","","","","1.045","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347407","18.0412","0.0007","10.1944","0.0004","26.97","0.001","90","","106.257","0.002","90","","4762","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H58 B2 Fe N6 Si2 -","- C55 H58 B2 Fe N6 Si2 -","- C220 H232 B8 Fe4 N24 Si8 -","4","0.5","","Jeong, So Yi; Lalancette, Roger A.; Lin, Huina; Lupinska, Patrycja; Shipman, Patrick O.; John, Alexandra; Sheridan, John B.; Jäkle, Frieder","""Third-Generation""-Type Functional Tris(2-pyridyl)borate Ligands and Their Transition-Metal Complexes.","Inorganic chemistry","2016","55","7","3605","3615","10.1021/acs.inorgchem.6b00124","","","1.54178","CuKα","","0.0765","0.0629","","","0.1627","0.173","","","","","","1.055","","","","has coordinates","232308","2020-10-21","18:00:00",""
"4347408","18.1391","0.0004","10.1834","0.0002","27.0532","0.0008","90","","106.347","0.001","90","","4795.2","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H58 B2 N6 Ru Si2 -","- C55 H58 B2 N6 Ru Si2 -","- C220 H232 B8 N24 Ru4 Si8 -","4","0.5","","Jeong, So Yi; Lalancette, Roger A.; Lin, Huina; Lupinska, Patrycja; Shipman, Patrick O.; John, Alexandra; Sheridan, John B.; Jäkle, Frieder","""Third-Generation""-Type Functional Tris(2-pyridyl)borate Ligands and Their Transition-Metal Complexes.","Inorganic chemistry","2016","55","7","3605","3615","10.1021/acs.inorgchem.6b00124","","","1.54178","CuKα","","0.0374","0.0352","","","0.0944","0.0963","","","","","","1.075","","","","has coordinates","232308","2020-10-21","18:00:00",""
"4347409","12.8153","0.0002","13.2471","0.0002","13.3666","0.0003","90.789","0.001","103.134","0.001","109.156","0.001","2077.82","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H40 B2 Fe I2 N6 -","- C49 H40 B2 Fe I2 N6 -","- C98 H80 B4 Fe2 I4 N12 -","2","1","","Jeong, So Yi; Lalancette, Roger A.; Lin, Huina; Lupinska, Patrycja; Shipman, Patrick O.; John, Alexandra; Sheridan, John B.; Jäkle, Frieder","""Third-Generation""-Type Functional Tris(2-pyridyl)borate Ligands and Their Transition-Metal Complexes.","Inorganic chemistry","2016","55","7","3605","3615","10.1021/acs.inorgchem.6b00124","","","1.54178","CuKα","","0.0419","0.0322","","","0.0701","0.0737","","","","","","1.015","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347410","12.845","0.0005","13.2757","0.0004","13.4453","0.0005","90.863","0.002","103.353","0.002","109.278","0.002","2095.28","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H40 B2 I2 N6 Ru -","- C49 H40 B2 I2 N6 Ru -","- C98 H80 B4 I4 N12 Ru2 -","2","1","","Jeong, So Yi; Lalancette, Roger A.; Lin, Huina; Lupinska, Patrycja; Shipman, Patrick O.; John, Alexandra; Sheridan, John B.; Jäkle, Frieder","""Third-Generation""-Type Functional Tris(2-pyridyl)borate Ligands and Their Transition-Metal Complexes.","Inorganic chemistry","2016","55","7","3605","3615","10.1021/acs.inorgchem.6b00124","","","1.54178","CuKα","","0.0695","0.0541","","","0.1324","0.1443","","","","","","1.007","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347411","12.1544","0.0003","12.3906","0.0003","15.7667","0.0004","96.766","0.002","94.743","0.002","94.685","0.002","2339.81","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C105 H96 B6 Br2 N12 O4 Ru2 -","- C105 H96 B6 Br2 N12 O4 Ru2 -","- C105 H96 B6 Br2 N12 O4 Ru2 -","1","0.5","","Jeong, So Yi; Lalancette, Roger A.; Lin, Huina; Lupinska, Patrycja; Shipman, Patrick O.; John, Alexandra; Sheridan, John B.; Jäkle, Frieder","""Third-Generation""-Type Functional Tris(2-pyridyl)borate Ligands and Their Transition-Metal Complexes.","Inorganic chemistry","2016","55","7","3605","3615","10.1021/acs.inorgchem.6b00124","","","1.54178","CuKα","","0.0668","0.054","","","0.1452","0.1538","","","","","","1.044","","","","has coordinates","232308","2020-10-21","18:00:00",""
"4347412","8.5544","0.0005","15.286","0.0008","28.4211","0.0015","90","","91.532","0.002","90","","3715.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35.29 H40.71 Cl N3.29 Na O12.8 S -","- C35.287 H40.713 Cl N3.287 Na O12.803 S -","- C141.148 H162.852 Cl4 N13.148 Na4 O51.212 S4 -","4","1","","Karbarz, Marcin; Romański, Jan","Dual Sensing by Simple Heteroditopic Salt Receptors Containing an Anthraquinone Unit.","Inorganic chemistry","2016","55","7","3616","3623","10.1021/acs.inorgchem.6b00132","","","0.71073","MoKα","","0.0649","0.0403","","","0.0842","0.0937","","","","","","1.052","","","","has coordinates,has disorder","232309","2020-10-21","18:00:00",""
"4347413","17.0192","0.0012","27.796","0.0017","9.3238","0.0004","90","","90","","90","","4410.8","0.5","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C33 H14 N3.41 O6 Zn2 -","- C33 H14 N3.408 O6 Zn2 -","- C132 H56 N13.632 O24 Zn8 -","4","0.25","","Fu, Hong-Ru; Zhang, Jian","Selective Sorption of Light Hydrocarbons on a Family of Metal-Organic Frameworks with Different Imidazolate Pillars.","Inorganic chemistry","2016","55","8","3928","3932","10.1021/acs.inorgchem.6b00136","","","0.71073","MoKα","","0.111","0.0977","","","0.2907","0.3052","","","","","","1.075","","","","has coordinates","232310","2020-10-21","18:00:00",""
"4347414","16.6016","0.0008","28.621","0.0012","9.2204","0.0004","90","","98.18","0.004","90","","4336.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 N2 O3 Zn -","- C16 H8 N2 O3 Zn -","- C128 H64 N16 O24 Zn8 -","8","1","","Fu, Hong-Ru; Zhang, Jian","Selective Sorption of Light Hydrocarbons on a Family of Metal-Organic Frameworks with Different Imidazolate Pillars.","Inorganic chemistry","2016","55","8","3928","3932","10.1021/acs.inorgchem.6b00136","","","1.54178","CuKα","","0.0859","0.0749","","","0.2288","0.245","","","","","","1.097","","","","has coordinates","232310","2020-10-21","18:00:00",""
"4347415","16.3307","0.0005","29.0681","0.0008","9.2803","0.0002","90","","96.324","0.003","90","","4378.6","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H6 N2 O3 Zn -","- C18 H6 N2 O3 Zn -","- C144 H48 N16 O24 Zn8 -","8","1","","Fu, Hong-Ru; Zhang, Jian","Selective Sorption of Light Hydrocarbons on a Family of Metal-Organic Frameworks with Different Imidazolate Pillars.","Inorganic chemistry","2016","55","8","3928","3932","10.1021/acs.inorgchem.6b00136","","","1.54178","CuKα","","0.0714","0.0651","","","0.209","0.2186","","","","","","1.069","","","","has coordinates","232310","2020-10-21","18:00:00",""
"4347416","17.1126","0.0015","27.766","0.003","9.3275","0.0006","90","","92.046","0.007","90","","4429.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H19 N3 O6 Zn2 -","- C36 H19 N2.99 O6 Zn2 -","- C144 H76 N11.96 O24 Zn8 -","4","0.5","","Fu, Hong-Ru; Zhang, Jian","Selective Sorption of Light Hydrocarbons on a Family of Metal-Organic Frameworks with Different Imidazolate Pillars.","Inorganic chemistry","2016","55","8","3928","3932","10.1021/acs.inorgchem.6b00136","","","1.54178","CuKα","","0.1233","0.1102","","","0.3043","0.3208","","","","","","1.038","","","","has coordinates","232310","2020-10-21","18:00:00",""
"4347417","11.3443","0.0015","13.432","0.0017","14.3422","0.0018","88.823","0.009","81.617","0.009","83.076","0.009","2146.3","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H60 Cu3 F36 N8 O16 -","- C62 H60 Cu3 F36 N8 O16 -","- C62 H60 Cu3 F36 N8 O16 -","1","0.5","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.109","0.0493","","","0.1052","0.1279","","","","","","1.038","","","","has coordinates,has disorder","232311","2020-10-21","18:00:00",""
"4347418","13.748","0.002","17.305","0.003","17.808","0.003","108.754","0.011","91.485","0.011","102.51","0.01","3895.5","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H29.5 Cu1.25 F15 N4 O7 -","- C28.5 H29.5 Cu1.25 F15 N4 O7 -","- C114 H118 Cu5 F60 N16 O28 -","4","2","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1943","0.0396","","","0.0753","0.1005","","","","","","0.694","","","","has coordinates,has disorder","232311","2020-10-21","18:00:00",""
"4347419","13.6774","0.0004","17.0926","0.0005","17.6761","0.0005","108.581","0.002","91.616","0.002","102.344","0.002","3805.6","0.2","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H59 Cu2.5 F30 N8 O14 -","- C57 H59 Cu2.5 F30 N8 O14 -","- C114 H118 Cu5 F60 N16 O28 -","2","1","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1072","0.0431","","","0.0976","0.1134","","","","","","0.859","","","","has coordinates,has disorder","232311","2020-10-21","18:00:00",""
"4347420","13.6505","0.0003","16.8063","0.0004","17.5044","0.0004","108.534","0.001","91.684","0.001","101.846","0.002","3706.97","0.15","175","2","175","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H59 Cu2.5 F30 N8 O14 -","- C57 H59 Cu2.5 F30 N8 O14 -","- C114 H118 Cu5 F60 N16 O28 -","2","1","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1148","0.0472","","","0.1","0.1208","","","","","","0.863","","","","has coordinates,has disorder","232311","2020-10-21","18:00:00",""
"4347421","13.6616","0.0004","16.6422","0.0004","17.4212","0.0004","108.568","0.001","91.743","0.002","101.581","0.002","3659.22","0.17","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H29.5 Cu1.25 F15 N4 O7 -","- C28.5 H29.5 Cu1.25 F15 N4 O7 -","- C114 H118 Cu5 F60 N16 O28 -","4","2","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1093","0.0511","","","0.1145","0.1384","","","","","","0.937","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347422","13.6618","0.0003","16.5333","0.0003","17.3793","0.0003","108.561","0.001","91.748","0.001","101.547","0.001","3627.23","0.12","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H29.5 Cu1.25 F15 N4 O7 -","- C28.5 H29.5 Cu1.25 F15 N4 O7 -","- C114 H118 Cu5 F60 N16 O28 -","4","2","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.0751","0.0464","","","0.1097","0.1232","","","","","","0.945","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347423","10.836","0.003","11.377","0.003","14.102","0.004","110.933","0.016","104.014","0.018","93.324","0.019","1555.3","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Cu F12 N4 O6 -","- C23 H23 Cu F12 N4 O6 -","- C46 H46 Cu2 F24 N8 O12 -","2","1","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1652","0.0492","","","0.0905","0.1122","","","","","","0.853","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347424","14.7225","0.0006","14.7927","0.0007","15.5127","0.0007","82.89","0.003","65.077","0.002","81.596","0.003","3023.6","0.2","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cu2 F24 N8 O12 -","- C46 H46 Cu2 F24 N8 O12 -","- C92 H92 Cu4 F48 N16 O24 -","2","1","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1465","0.049","","","0.1045","0.126","","","","","","0.832","","","","has coordinates,has disorder","232311","2020-10-21","18:00:00",""
"4347425","14.6924","0.0004","14.6676","0.0004","15.4184","0.0005","82.82","0.002","65.148","0.002","81.281","0.002","2973.2","0.16","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cu2 F24 N8 O12 -","- C46 H46 Cu2 F24 N8 O12 -","- C92 H92 Cu4 F48 N16 O24 -","2","1","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1054","0.0426","","","0.0921","0.1117","","","","","","0.815","","","","has coordinates,has disorder","232311","2020-10-21","18:00:00",""
"4347426","14.6416","0.0006","14.658","0.0005","15.3846","0.0005","65.251","0.002","82.655","0.002","81.337","0.002","2956.59","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cu2 F24 N8 O12 -","- C46 H46 Cu2 F24 N8 O12 -","- C92 H92 Cu4 F48 N16 O24 -","2","1","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1113","0.049","","","0.098","0.1108","","","","","","0.916","","","","has coordinates","232311","2020-10-21","18:00:00",""
"4347427","14.4659","0.0004","14.7776","0.0005","15.2281","0.0005","81.525","0.002","66.418","0.002","82.14","0.002","2940.01","0.17","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cu2 F24 N8 O12 -","- C46 H46 Cu2 F24 N8 O12 -","- C92 H92 Cu4 F48 N16 O24 -","2","1","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1132","0.0465","","","0.0979","0.1213","","","","","","0.859","","","","has coordinates","232311","2020-10-21","18:00:00",""
"4347428","14.4974","0.0005","14.7449","0.0004","15.2691","0.0005","81.632","0.002","66.142","0.002","81.905","0.002","2941.14","0.17","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cu2 F24 N8 O12 -","- C46 H46 Cu2 F24 N8 O12 -","- C92 H92 Cu4 F48 N16 O24 -","2","1","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1398","0.0444","","","0.0801","0.1001","","","","","","0.799","","","","has coordinates","232311","2020-10-21","18:00:00",""
"4347429","14.4262","0.0006","14.698","0.0007","15.1688","0.0007","81.36","0.003","66.554","0.002","82.081","0.003","2906.5","0.2","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cu2 F24 N8 O12 -","- C46 H46 Cu2 F24 N8 O12 -","- C92 H92 Cu4 F48 N16 O24 -","2","1","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1039","0.0459","","","0.0936","0.1102","","","","","","0.903","","","","has coordinates","232311","2020-10-21","18:00:00",""
"4347430","18.557","0.007","18.557","0.007","24.189","0.01","90","","90","","120","","7214","5","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C22 H10 F N O10 Zn2 -","- C22 H10 F N O10 Zn2 -","- C132 H60 F6 N6 O60 Zn12 -","6","0.25","","Pal, Tapan K.; De, Dinesh; Senthilkumar, S.; Neogi, Subhadip; Bharadwaj, Parimal K.","A Partially Fluorinated, Water-Stable Cu(II)-MOF Derived via Transmetalation: Significant Gas Adsorption with High CO2 Selectivity and Catalysis of Biginelli Reactions.","Inorganic chemistry","2016","55","16","7835","7842","10.1021/acs.inorgchem.6b00154","","","0.71073","MoKα","","0.0872","0.0595","","","0.1953","0.2095","","","","","","1.074","","","","has coordinates","232312","2020-10-21","18:00:00",""
"4347431","18.4347","0.0006","18.4347","0.0006","23.832","0.001","90","","90","","120","","7014","0.4","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C22 H10 Cu2 F N O10 -","- C22 H10 Cu2 F N O10 -","- C132 H60 Cu12 F6 N6 O60 -","6","0.25","","Pal, Tapan K.; De, Dinesh; Senthilkumar, S.; Neogi, Subhadip; Bharadwaj, Parimal K.","A Partially Fluorinated, Water-Stable Cu(II)-MOF Derived via Transmetalation: Significant Gas Adsorption with High CO2 Selectivity and Catalysis of Biginelli Reactions.","Inorganic chemistry","2016","55","16","7835","7842","10.1021/acs.inorgchem.6b00154","","","0.71073","MoKα","","0.109","0.0677","","","0.2259","0.2393","","","","","","1.04","","","","has coordinates","232312","2020-10-21","18:00:00",""
"4347432","16.645","0.007","18.268","0.008","23.747","0.01","89.543","0.007","74.209","0.007","76.897","0.007","6756","5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H54 Mn Mo18 N40 O84 P6 Sr -","- C40 H54 Mn Mo18 N40 O84 P6 Sr -","- C80 H108 Mn2 Mo36 N80 O168 P12 Sr2 -","2","1","","Chen, Zhao-Yi; Lü, Jing-Hua; Yu, Kai; Zhang, He; Wang, Lu; Wang, Chun-Mei; Zhou, Bai-Bin","Nonclassical Phosphomolybdates with Different Degrees of Reduction: Syntheses and Structural and Photo/Electrocatalytic Properties.","Inorganic chemistry","2016","55","17","8309","8320","10.1021/acs.inorgchem.6b00158","","","0.71073","MoKα","","0.095","0.0796","","","0.1031","0.1194","","","","","","1.055","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4347433","27.6058","0.0011","26.5475","0.0011","17.56","0.0007","90","","90.302","0.001","90","","12868.9","0.9","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C16 H64 Mn2 Mo18 N16 O97 P6 Sr -","- C16 H64 Mn2 Mo18 N16 O97 P6 Sr -","- C64 H256 Mn8 Mo72 N64 O388 P24 Sr4 -","4","0.5","","Chen, Zhao-Yi; Lü, Jing-Hua; Yu, Kai; Zhang, He; Wang, Lu; Wang, Chun-Mei; Zhou, Bai-Bin","Nonclassical Phosphomolybdates with Different Degrees of Reduction: Syntheses and Structural and Photo/Electrocatalytic Properties.","Inorganic chemistry","2016","55","17","8309","8320","10.1021/acs.inorgchem.6b00158","","","0.71073","MoKα","","0.0908","0.0819","","","0.1249","0.1443","","","","","","1.038","","","","has coordinates","232314","2020-10-21","18:00:00",""
"4347434","16.8296","0.0009","34.5086","0.0019","18.236","0.001","90","","90.696","0.001","90","","10590.1","1","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 Fe Mo18 N20 O82 P6 Sr -","- C36 H46 Fe Mo18 N20 O82 P6 Sr -","- C144 H184 Fe4 Mo72 N80 O328 P24 Sr4 -","4","1","","Chen, Zhao-Yi; Lü, Jing-Hua; Yu, Kai; Zhang, He; Wang, Lu; Wang, Chun-Mei; Zhou, Bai-Bin","Nonclassical Phosphomolybdates with Different Degrees of Reduction: Syntheses and Structural and Photo/Electrocatalytic Properties.","Inorganic chemistry","2016","55","17","8309","8320","10.1021/acs.inorgchem.6b00158","","","0.71073","MoKα","","0.0933","0.078","","","0.1105","0.1478","","","","","","1.106","","","","has coordinates","232314","2020-10-21","18:00:00",""
"4347435","18.271","0.006","14.132","0.005","40.47","0.013","90","","95.797","0.007","90","","10396","6","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H94 Cd4 Mo36 N48 O171 P12 Sr2 -","- C48 H94 Cd4 Mo36 N48 O171 P12 Sr2 -","- C96 H188 Cd8 Mo72 N96 O342 P24 Sr4 -","2","0.5","","Chen, Zhao-Yi; Lü, Jing-Hua; Yu, Kai; Zhang, He; Wang, Lu; Wang, Chun-Mei; Zhou, Bai-Bin","Nonclassical Phosphomolybdates with Different Degrees of Reduction: Syntheses and Structural and Photo/Electrocatalytic Properties.","Inorganic chemistry","2016","55","17","8309","8320","10.1021/acs.inorgchem.6b00158","","","0.71073","MoKα","","0.0738","0.0659","","","0.1265","0.1421","","","","","","1.083","","","","has coordinates","232314","2020-10-21","18:00:00",""
"4347436","11.506","0.002","19.009","0.003","23.954","0.005","90","","98.401","0.002","90","","5182.9","1.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H48 Cu2 I2 P4 -","- C60 H48 Cu2 I2 P4 -","- C240 H192 Cu8 I8 P16 -","4","2","","Okano, Yuka; Ohara, Hiroki; Kobayashi, Atsushi; Yoshida, Masaki; Kato, Masako","Systematic Introduction of Aromatic Rings to Diphosphine Ligands for Emission Color Tuning of Dinuclear Copper(I) Iodide Complexes.","Inorganic chemistry","2016","55","11","5227","5236","10.1021/acs.inorgchem.6b00161","","","0.71075","MoKα","","0.0607","0.0472","","","0.0867","0.0966","","","","","","1.109","","","","has coordinates","232315","2020-10-21","18:00:00",""
"4347437","11.2578","0.0004","18.9921","0.0007","11.9431","0.0004","90","","97.833","0.002","90","","2529.72","0.16","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H46 Cu2 I2 N2 P4 -","- C58 H46 Cu2 I2 N2 P4 -","- C116 H92 Cu4 I4 N4 P8 -","2","1","","Okano, Yuka; Ohara, Hiroki; Kobayashi, Atsushi; Yoshida, Masaki; Kato, Masako","Systematic Introduction of Aromatic Rings to Diphosphine Ligands for Emission Color Tuning of Dinuclear Copper(I) Iodide Complexes.","Inorganic chemistry","2016","55","11","5227","5236","10.1021/acs.inorgchem.6b00161","","","0.71075","MoKα","","0.0318","0.0307","","","0.0776","0.0788","","","","","","1.05","","","","has coordinates","232315","2020-10-21","18:00:00",""
"4347438","11.3329","0.0011","19.5774","0.0019","22.879","0.002","90","","95.1735","0.0012","90","","5055.5","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H44 Cu2 I2 N4 P4 -","- C56 H44 Cu2 I2 N4 P4 -","- C224 H176 Cu8 I8 N16 P16 -","4","1","","Okano, Yuka; Ohara, Hiroki; Kobayashi, Atsushi; Yoshida, Masaki; Kato, Masako","Systematic Introduction of Aromatic Rings to Diphosphine Ligands for Emission Color Tuning of Dinuclear Copper(I) Iodide Complexes.","Inorganic chemistry","2016","55","11","5227","5236","10.1021/acs.inorgchem.6b00161","","","0.71075","MoKα","","0.0284","0.0263","","","0.0577","0.059","","","","","","1.051","","","","has coordinates","232315","2020-10-21","18:00:00",""
"4347439","11.2852","0.0013","23.666","0.003","11.4497","0.0013","90","","93.887","0.002","90","","3050.9","0.6","193","","193","","","","","","","","","7","P 1 21 1","P 2yb","4","","Fe2C44H64N16S2Cl4O20","","- C44 H64 Cl4 Fe2 N16 O20 S2 -","- C44 H64 Cl4 Fe2 N16 O20 S2 -","- C88 H128 Cl8 Fe4 N32 O40 S4 -","2","1","","Herold, Christian F.; Shylin, Sergii I.; Rentschler, Eva","Solvent-dependent SCO Behavior of Dinuclear Iron(II) Complexes with a 1,3,4-Thiadiazole Bridging Ligand.","Inorganic chemistry","2016","55","13","6414","6419","10.1021/acs.inorgchem.6b00163","","x-ray","0.71073","MoKα","","0.0468","0.039","","","0.0897","0.0933","","","","","","1.037","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347440","11.2504","0.0007","23.3121","0.0017","11.3825","0.0006","90","","93.733","0.002","90","","2979","0.3","173.15","","173.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C44 H64 B4 F16 Fe2 N16 O4 S2 -","- C44 H64 B4 F16 Fe2 N16 O4 S2 -","- C88 H128 B8 F32 Fe4 N32 O8 S4 -","2","1","","Herold, Christian F.; Shylin, Sergii I.; Rentschler, Eva","Solvent-dependent SCO Behavior of Dinuclear Iron(II) Complexes with a 1,3,4-Thiadiazole Bridging Ligand.","Inorganic chemistry","2016","55","13","6414","6419","10.1021/acs.inorgchem.6b00163","","x-ray","0.71073","MoKα","","0.0496","0.0369","","","0.0803","0.0844","","","","","","0.956","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347441","20.4077","0.0004","10.9902","0.0002","15.501","0.0004","90","","124.565","0.002","90","","2862.95","0.13","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Fe N P S -","- C14 H18 Fe N P S -","- C112 H144 Fe8 N8 P8 S8 -","8","1","","Dey, Subhayan; Sun, Wei; Müller, Jens","[n]Ferrocenophanes (n = 2, 3) with Nitrogen and Phosphorus in Bridging Positions.","Inorganic chemistry","2016","55","7","3630","3639","10.1021/acs.inorgchem.6b00170","","","0.71073","MoKα","","0.0355","0.0273","","","0.1052","0.1279","","","","","","1.075","","","","has coordinates","232318","2020-10-21","18:00:00",""
"4347442","14.1096","0.0006","20.8624","0.0008","20.7312","0.0008","90","","103.628","0.004","90","","5930.6","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","[K(222)][Mn(TPP)(CN)]","","","- C63 H64 K Mn N7 O6 -","- C63 H64 K Mn N7 O6 -","- C252 H256 K4 Mn4 N28 O24 -","4","1","","He, Mingrui; Li, Xiangjun; Liu, Yanhong; Li, Jianfeng","Axial Mn-CCN Bonds of Cyano Manganese(II) Porphyrin Complexes: Flexible and Weak?","Inorganic chemistry","2016","55","12","5871","5879","10.1021/acs.inorgchem.6b00173","","","0.71073","MoKα","","0.0501","0.0402","","","0.0768","0.0811","","","","","","1.05","","","","has coordinates","232319","2020-10-21","18:00:00",""
"4347443","13.2231","0.0006","24.3062","0.0012","24.7602","0.0013","90","","90","","90","","7958","0.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[K(222)][Mn(TMP)(CN)]1.63(C6H5Cl)","","","- C84.77 H96.15 Cl1.63 K Mn N7 O6 -","- C84.774 H96.145 Cl1.629 K Mn N7 O6 -","- C339.096 H384.58 Cl6.516 K4 Mn4 N28 O24 -","4","1","","He, Mingrui; Li, Xiangjun; Liu, Yanhong; Li, Jianfeng","Axial Mn-CCN Bonds of Cyano Manganese(II) Porphyrin Complexes: Flexible and Weak?","Inorganic chemistry","2016","55","12","5871","5879","10.1021/acs.inorgchem.6b00173","","","0.71073","MoKα","","0.0544","0.0494","","","0.1449","0.1493","","","","","","1.109","","","","has coordinates","232320","2020-10-21","18:00:00",""
"4347444","13.2466","0.0008","25.3523","0.0014","17.903","0.001","90","","109.549","0.006","90","","5665.8","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[K(222)][Mn(TPP)(CN)]","","","- C63 H64 K Mn N7 O6 -","- C63 H64 K Mn N7 O6 -","- C252 H256 K4 Mn4 N28 O24 -","4","1","","He, Mingrui; Li, Xiangjun; Liu, Yanhong; Li, Jianfeng","Axial Mn-CCN Bonds of Cyano Manganese(II) Porphyrin Complexes: Flexible and Weak?","Inorganic chemistry","2016","55","12","5871","5879","10.1021/acs.inorgchem.6b00173","","","0.71073","MoKα","","0.1407","0.0607","","","0.0781","0.1017","","","","","","0.894","","","","has coordinates","232321","2020-10-21","18:00:00",""
"4347445","11.7796","0.0003","14.8337","0.0004","20.0496","0.0006","81.69","0.002","74.862","0.002","86.134","0.002","3344.68","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","[K(222)][Mn(TTP)(CN)]PhCl","","","- C73 H77 Cl K Mn N7 O6 -","- C73 H77 Cl K Mn N7 O6 -","- C146 H154 Cl2 K2 Mn2 N14 O12 -","2","1","","He, Mingrui; Li, Xiangjun; Liu, Yanhong; Li, Jianfeng","Axial Mn-CCN Bonds of Cyano Manganese(II) Porphyrin Complexes: Flexible and Weak?","Inorganic chemistry","2016","55","12","5871","5879","10.1021/acs.inorgchem.6b00173","","","0.71073","MoKα","","0.0767","0.0592","","","0.1535","0.1667","","","","","","1.039","","","","has coordinates","232322","2020-10-21","18:00:00",""
"4347446","9.3538","0.0015","23.463","0.004","8.9193","0.0015","90","","98.061","0.004","90","","1938.2","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 N5 O -","- C19 H27 N5 O -","- C76 H108 N20 O4 -","4","1","","Ghosh, Tamal Kanti; Dutta, Ranjan; Ghosh, Pradyut","Unusual Recognition and Separation of Hydrated Metal Sulfates [M2(μ-SO4)2(H2O)n, M = Zn(II), Cd(II), Co(II), Mn(II)] by a Ditopic Receptor.","Inorganic chemistry","2016","55","7","3640","3652","10.1021/acs.inorgchem.6b00176","","","0.71073","MoKα","","0.0509","0.0412","","","0.1008","0.1079","","","","","","1.031","","","","has coordinates","232323","2020-10-21","18:00:00",""
"4347447","9.1081","0.0005","9.5838","0.0005","14.8352","0.0008","78.6128","0.0012","73.7441","0.0011","66.1009","0.0011","1131.38","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H54 N10 O12 S2 Zn2 -","- C38 H54 N10 O12 S2 Zn2 -","- C38 H54 N10 O12 S2 Zn2 -","1","0.5","","Ghosh, Tamal Kanti; Dutta, Ranjan; Ghosh, Pradyut","Unusual Recognition and Separation of Hydrated Metal Sulfates [M2(μ-SO4)2(H2O)n, M = Zn(II), Cd(II), Co(II), Mn(II)] by a Ditopic Receptor.","Inorganic chemistry","2016","55","7","3640","3652","10.1021/acs.inorgchem.6b00176","","","0.71073","MoKα","","0.0325","0.0301","","","0.0927","0.095","","","","","","1.07","","","","has coordinates","232323","2020-10-21","18:00:00",""
"4347448","16.1563","0.0012","11.0458","0.0008","16.3922","0.0012","90","","104.037","0.002","90","","2838","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H78 Cd2 N10 O18 S4 -","- C42 H78 Cd2 N10 O18 S4 -","- C84 H156 Cd4 N20 O36 S8 -","2","0.5","","Ghosh, Tamal Kanti; Dutta, Ranjan; Ghosh, Pradyut","Unusual Recognition and Separation of Hydrated Metal Sulfates [M2(μ-SO4)2(H2O)n, M = Zn(II), Cd(II), Co(II), Mn(II)] by a Ditopic Receptor.","Inorganic chemistry","2016","55","7","3640","3652","10.1021/acs.inorgchem.6b00176","","","0.71073","MoKα","","0.0198","0.019","","","0.051","0.0515","","","","","","1.09","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347449","10.272","0.002","12.289","0.002","14.188","0.003","65.551","0.004","71.476","0.004","68.979","0.004","1491.4","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H27 F6 N5 O8 S2 Zn -","- C21 H27 F6 N5 O8 S2 Zn -","- C42 H54 F12 N10 O16 S4 Zn2 -","2","1","","Ghosh, Tamal Kanti; Dutta, Ranjan; Ghosh, Pradyut","Unusual Recognition and Separation of Hydrated Metal Sulfates [M2(μ-SO4)2(H2O)n, M = Zn(II), Cd(II), Co(II), Mn(II)] by a Ditopic Receptor.","Inorganic chemistry","2016","55","7","3640","3652","10.1021/acs.inorgchem.6b00176","","","0.71073","MoKα","","0.0399","0.0328","","","0.0856","0.0898","","","","","","1.05","","","","has coordinates","232323","2020-10-21","18:00:00",""
"4347450","16.0294","0.0011","10.8894","0.0008","16.4207","0.0012","90","","104.53","0.0016","90","","2774.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H66 Co2 N10 O18 S4 -","- C42 H66 Co2 N10 O18 S4 -","- C84 H132 Co4 N20 O36 S8 -","2","0.5","","Ghosh, Tamal Kanti; Dutta, Ranjan; Ghosh, Pradyut","Unusual Recognition and Separation of Hydrated Metal Sulfates [M2(μ-SO4)2(H2O)n, M = Zn(II), Cd(II), Co(II), Mn(II)] by a Ditopic Receptor.","Inorganic chemistry","2016","55","7","3640","3652","10.1021/acs.inorgchem.6b00176","","","0.71073","MoKα","","0.0438","0.0356","","","0.1243","0.1363","","","","","","1.094","","","","has coordinates","232323","2020-10-21","18:00:00",""
"4347451","13.439","0.002","10.8861","0.0017","19.87","0.003","90","","109.719","0.004","90","","2736.5","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 Mn2 N10 O14 S2 -","- C38 H54 Mn2 N10 O14 S2 -","- C76 H108 Mn4 N20 O28 S4 -","2","0.5","","Ghosh, Tamal Kanti; Dutta, Ranjan; Ghosh, Pradyut","Unusual Recognition and Separation of Hydrated Metal Sulfates [M2(μ-SO4)2(H2O)n, M = Zn(II), Cd(II), Co(II), Mn(II)] by a Ditopic Receptor.","Inorganic chemistry","2016","55","7","3640","3652","10.1021/acs.inorgchem.6b00176","","","0.71073","MoKα","","0.1246","0.1038","","","0.3126","0.3233","","","","","","1.153","","","","has coordinates","232323","2020-10-21","18:00:00",""
"4347452","17.336","0.003","17.945","0.003","18.528","0.003","108.258","0.005","94.285","0.005","90.647","0.005","5454.8","1.6","106","2","106","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H112 Gd4 N16 O34 -","- C92 H104 Gd4 N16 O34 -","- C184 H208 Gd8 N32 O68 -","2","1","","Mondal, Amit Kumar; Jena, Himanshu Sekhar; Malviya, Amita; Konar, Sanjit","Lanthanide-Directed Fabrication of Four Tetranuclear Quadruple Stranded Helicates Showing Magnetic Refrigeration and Slow Magnetic Relaxation.","Inorganic chemistry","2016","55","11","5237","5244","10.1021/acs.inorgchem.6b00177","","","0.71073","MoKα","","0.1056","0.0898","","","0.2054","0.2144","","","","","","1.233","","","","has coordinates","232324","2020-10-21","18:00:00",""
"4347453","17.336","0.003","17.945","0.003","18.528","0.003","108.258","0.005","94.285","0.005","90.647","0.005","5454.8","1.6","106","2","105.7","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H104 Dy4 N16 O35 -","- C92 H94 Dy4 N16 O35 -","- C184 H188 Dy8 N32 O70 -","2","1","","Mondal, Amit Kumar; Jena, Himanshu Sekhar; Malviya, Amita; Konar, Sanjit","Lanthanide-Directed Fabrication of Four Tetranuclear Quadruple Stranded Helicates Showing Magnetic Refrigeration and Slow Magnetic Relaxation.","Inorganic chemistry","2016","55","11","5237","5244","10.1021/acs.inorgchem.6b00177","","","0.71073","MoKα","","0.1039","0.0882","","","0.1964","0.2176","","","","","","1.0951","","","","has coordinates,has disorder","232324","2020-10-21","18:00:00",""
"4347454","13.205","0.003","17.931","0.004","24.533","0.005","69.904","0.005","81.134","0.005","77.908","0.005","5313","2","104","2","104","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H115 Er4 N18 O41 -","- C88 H97 Er4 N18 O41 -","- C176 H194 Er8 N36 O82 -","2","1","","Mondal, Amit Kumar; Jena, Himanshu Sekhar; Malviya, Amita; Konar, Sanjit","Lanthanide-Directed Fabrication of Four Tetranuclear Quadruple Stranded Helicates Showing Magnetic Refrigeration and Slow Magnetic Relaxation.","Inorganic chemistry","2016","55","11","5237","5244","10.1021/acs.inorgchem.6b00177","","","0.71073","MoKα","","0.1082","0.069","","","0.1767","0.1957","","","","","","1.287","","","","has coordinates","232324","2020-10-21","18:00:00",""
"4347455","28.876","0.002","21.597","0.002","17.0366","0.0013","90","","90.226","0.004","90","","10624.5","1.5","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H106 Dy4 N21 O45 -","- C90 H96 Dy4 N21 O45 -","- C360 H384 Dy16 N84 O180 -","4","0.5","","Mondal, Amit Kumar; Jena, Himanshu Sekhar; Malviya, Amita; Konar, Sanjit","Lanthanide-Directed Fabrication of Four Tetranuclear Quadruple Stranded Helicates Showing Magnetic Refrigeration and Slow Magnetic Relaxation.","Inorganic chemistry","2016","55","11","5237","5244","10.1021/acs.inorgchem.6b00177","","","0.71073","MoKα","","0.0425","0.0424","","","0.1119","0.1119","","","","","","1.146","","","","has coordinates","232324","2020-10-21","18:00:00",""
"4347456","39.356","0.006","39.356","0.006","15.783","0.003","90","","90","","120","","21171","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H55 Mn3 N8 O17 -","- C35 H33 Mn3 N6 O12 -","- C630 H594 Mn54 N108 O216 -","18","1","","Jiang, Xiang; Liu, Cai-Ming; Kou, Hui-Zhong","Porous Coordination Polymers Based on {Mn6} Single-Molecule Magnets.","Inorganic chemistry","2016","55","12","5880","5885","10.1021/acs.inorgchem.6b00179","","","0.71073","MoKα","","0.2071","0.1043","","","0.3003","0.3516","","","","","","1","","","","has coordinates","232325","2020-10-21","18:00:00",""
"4347457","39.51","0.006","39.51","0.006","15.795","0.003","90","","90","","120","","21353","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C43 H54 Mn3 N7 O15 -","- C36 H34 Mn3 N5 O11 -","- C648 H612 Mn54 N90 O198 -","18","1","","Jiang, Xiang; Liu, Cai-Ming; Kou, Hui-Zhong","Porous Coordination Polymers Based on {Mn6} Single-Molecule Magnets.","Inorganic chemistry","2016","55","12","5880","5885","10.1021/acs.inorgchem.6b00179","","","0.71073","MoKα","","0.2039","0.095","","","0.2647","0.3214","","","","","","1.033","","","","has coordinates","232326","2020-10-21","18:00:00",""
"4347458","39.196","0.006","39.196","0.006","15.796","0.003","90","","90","","120","","21017","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H53 Mn3 N8 O15 -","- C35 H33 Mn3 N6 O11 -","- C630 H594 Mn54 N108 O198 -","18","1","","Jiang, Xiang; Liu, Cai-Ming; Kou, Hui-Zhong","Porous Coordination Polymers Based on {Mn6} Single-Molecule Magnets.","Inorganic chemistry","2016","55","12","5880","5885","10.1021/acs.inorgchem.6b00179","","","0.71073","MoKα","","0.1318","0.0821","","","0.2568","0.2993","","","","","","1.072","","","","has coordinates","232327","2020-10-21","18:00:00",""
"4347459","21.6652","0.0015","6.8368","0.0004","11.2541","0.0007","90","","106.743","0.003","90","","1596.3","0.18","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H23 Ag N3 O4 P -","- C13 H23 Ag N3 O4 P -","- C52 H92 Ag4 N12 O16 P4 -","4","1","","Jaros, Sabina W.; Guedes da Silva, M Fátima C; Florek, Magdalena; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Silver(I) 1,3,5-Triaza-7-phosphaadamantane Coordination Polymers Driven by Substituted Glutarate and Malonate Building Blocks: Self-Assembly Synthesis, Structural Features, and Antimicrobial Properties.","Inorganic chemistry","2016","55","12","5886","5894","10.1021/acs.inorgchem.6b00186","","","0.71073","MoKα","","0.0205","0.0203","","","0.0535","0.0537","","","","","","0.806","","","","has coordinates","232328","2020-10-21","18:00:00",""
"4347460","6.8485","0.0002","27.3531","0.0007","17.0824","0.0005","90","","91.631","0.001","90","","3198.71","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H48 Ag2 N6 O11 P2 -","- C23 H48 Ag2 N6 O11 P2 -","- C92 H192 Ag8 N24 O44 P8 -","4","1","","Jaros, Sabina W.; Guedes da Silva, M Fátima C; Florek, Magdalena; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Silver(I) 1,3,5-Triaza-7-phosphaadamantane Coordination Polymers Driven by Substituted Glutarate and Malonate Building Blocks: Self-Assembly Synthesis, Structural Features, and Antimicrobial Properties.","Inorganic chemistry","2016","55","12","5886","5894","10.1021/acs.inorgchem.6b00186","","","0.71069","MoKα","","0.0517","0.0512","","","0.1074","0.1076","","","","","","1.33","","","","has coordinates","232329","2020-10-21","18:00:00",""
"4347461","10.425","0.002","31.106","0.007","11.865","0.003","90","","115.066","0.006","90","","3485.2","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Ag2 N6 O10 P2 -","- C30 H42 Ag2 N6 O10 P2 -","- C120 H168 Ag8 N24 O40 P8 -","4","1","","Jaros, Sabina W.; Guedes da Silva, M Fátima C; Florek, Magdalena; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Silver(I) 1,3,5-Triaza-7-phosphaadamantane Coordination Polymers Driven by Substituted Glutarate and Malonate Building Blocks: Self-Assembly Synthesis, Structural Features, and Antimicrobial Properties.","Inorganic chemistry","2016","55","12","5886","5894","10.1021/acs.inorgchem.6b00186","","","0.71069","MoKα","","0.0494","0.0336","","","0.071","0.077","","","","","","1.02","","","","has coordinates","232330","2020-10-21","18:00:00",""
"4347462","24.0875","0.0009","27.8262","0.0008","30.3154","0.0013","90","","90","","90","","20319.3","1.3","133","2","133","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C164 H105 Eu5 O45 -","- C164 H105 Eu5 O45 -","- C656 H420 Eu20 O180 -","4","0.5","","Xu, Hang; Fang, Ming; Cao, Chun-Shuai; Qiao, Wan-Zhen; Zhao, Bin","Unique (3,4,10)-Connected Lanthanide-Organic Framework as a Recyclable Chemical Sensor for Detecting Al(3.).","Inorganic chemistry","2016","55","10","4790","4794","10.1021/acs.inorgchem.6b00190","","","0.71073","MoKα","","0.1726","0.0945","","","0.2173","0.2751","","","","","","1.021","","","","has coordinates,has disorder","232331","2020-10-21","18:00:00",""
"4347463","24.435","0.002","27.255","0.003","30.407","0.003","90","","90","","90","","20250","3","133","2","133","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C164 H105 Dy5 O47 -","- C164 H105 Dy5 O47 -","- C656 H420 Dy20 O188 -","4","0.5","","Xu, Hang; Fang, Ming; Cao, Chun-Shuai; Qiao, Wan-Zhen; Zhao, Bin","Unique (3,4,10)-Connected Lanthanide-Organic Framework as a Recyclable Chemical Sensor for Detecting Al(3.).","Inorganic chemistry","2016","55","10","4790","4794","10.1021/acs.inorgchem.6b00190","","","0.71075","MoKα","","0.0807","0.0769","","","0.2183","0.2224","","","","","","1.127","","","","has coordinates,has disorder","232331","2020-10-21","18:00:00",""
"4347464","23.9063","0.0006","27.4059","0.0005","30.321","0.0004","90","","90","","90","","19865.5","0.7","125","4","125","4","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C164 H110.8 O48 Yb5 -","- C164 H110.802 O48 Yb5 -","- C656 H443.208 O192 Yb20 -","4","0.5","","Xu, Hang; Fang, Ming; Cao, Chun-Shuai; Qiao, Wan-Zhen; Zhao, Bin","Unique (3,4,10)-Connected Lanthanide-Organic Framework as a Recyclable Chemical Sensor for Detecting Al(3.).","Inorganic chemistry","2016","55","10","4790","4794","10.1021/acs.inorgchem.6b00190","","x-ray","0.71073","MoKα","","0.0995","0.0731","","","0.2001","0.2265","","","","","","1.028","","","","has coordinates,has disorder","232331","2020-10-21","18:00:00",""
"4347465","19.103","0.0007","19.103","0.0007","8.1014","0.0003","90","","90","","120","","2560.32","0.16","150","2","150","2","","","","","","","","8","P -3","-P 3","147","","","","- C90 H103 Cu8 F6 Fe6 N12 P S12 -","- C90 H103 Cu8 F6 Fe6 N12 P S12 -","- C90 H103 Cu8 F6 Fe6 N12 P S12 -","1","0.166667","","Kishore, Pilli V. V. N.; Liao, Jian-Hong; Hou, Hsing-Nan; Lin, Yan-Ru; Liu, C. W.","Ferrocene-Functionalized Cu(I)/Ag(I) Dithiocarbamate Clusters.","Inorganic chemistry","2016","55","7","3663","3673","10.1021/acs.inorgchem.6b00201","","","0.71073","MoKα","","0.0725","0.0452","","","0.11","0.1237","","","","","","1.033","","","","has coordinates","232332","2020-10-21","18:00:00",""
"4347466","12.7042","0.0003","13.3247","0.0004","15.4139","0.0004","78.8237","0.0007","83.5267","0.0007","70.809","0.0006","2414.14","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H109 Cu7 Fe6 N6 S12 -","- C90 H109 Cu7 Fe6 N6 S12 -","- C90 H109 Cu7 Fe6 N6 S12 -","1","0.5","","Kishore, Pilli V. V. N.; Liao, Jian-Hong; Hou, Hsing-Nan; Lin, Yan-Ru; Liu, C. W.","Ferrocene-Functionalized Cu(I)/Ag(I) Dithiocarbamate Clusters.","Inorganic chemistry","2016","55","7","3663","3673","10.1021/acs.inorgchem.6b00201","","","0.71073","MoKα","","0.0576","0.0465","","","0.119","0.1271","","","","","","1.045","","","","has coordinates,has disorder","232332","2020-10-21","18:00:00",""
"4347467","15.708","0.007","34.184","0.015","22.178","0.009","90","","110.188","0.011","90","","11177","8","296","2","296","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C109 H95 Cl9 Cu3 F6 Fe4 N2 P5 S4 -","- C109 H95 Cl9 Cu3 F6 Fe4 N2 P5 S4 -","- C436 H380 Cl36 Cu12 F24 Fe16 N8 P20 S16 -","4","1","","Kishore, Pilli V. V. N.; Liao, Jian-Hong; Hou, Hsing-Nan; Lin, Yan-Ru; Liu, C. W.","Ferrocene-Functionalized Cu(I)/Ag(I) Dithiocarbamate Clusters.","Inorganic chemistry","2016","55","7","3663","3673","10.1021/acs.inorgchem.6b00201","","","0.71073","MoKα","","0.1461","0.0977","","","0.2623","0.2972","","","","","","1.058","","","","has coordinates,has disorder","232332","2020-10-21","18:00:00",""
"4347468","10.1901","0.0004","11.0874","0.0004","13.3699","0.0006","99.72","0.001","104.811","0.001","98.569","0.001","1409.83","0.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H58 Ag2 Fe2 N2 P2 S4 -","- C62 H58 Ag2 Fe2 N2 P2 S4 -","- C62 H58 Ag2 Fe2 N2 P2 S4 -","1","0.5","","Kishore, Pilli V. V. N.; Liao, Jian-Hong; Hou, Hsing-Nan; Lin, Yan-Ru; Liu, C. W.","Ferrocene-Functionalized Cu(I)/Ag(I) Dithiocarbamate Clusters.","Inorganic chemistry","2016","55","7","3663","3673","10.1021/acs.inorgchem.6b00201","","","0.71073","MoKα","","0.0281","0.0235","","","0.0573","0.0602","","","","","","1.021","","","","has coordinates","232332","2020-10-21","18:00:00",""
"4347469","15.3196","0.0011","15.5413","0.0011","20.7294","0.0015","106.163","0.001","107.877","0.002","94.706","0.002","4435.1","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H231 Cu28 F6 N12 P S24 -","- C108 H231 Cu28 F6 N12 P S24 -","- C108 H231 Cu28 F6 N12 P S24 -","1","0.5","","Kishore, Pilli V. V. N.; Liao, Jian-Hong; Hou, Hsing-Nan; Lin, Yan-Ru; Liu, C. W.","Ferrocene-Functionalized Cu(I)/Ag(I) Dithiocarbamate Clusters.","Inorganic chemistry","2016","55","7","3663","3673","10.1021/acs.inorgchem.6b00201","","","0.71073","MoKα","","0.0411","0.0349","","","0.0938","0.0975","","","","","","1.08","","","","has coordinates,has disorder","232332","2020-10-21","18:00:00",""
"4347470","17.2091","0.0008","9.5711","0.0004","26.2779","0.0011","90","","90","","90","","4328.2","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H24 Mo N2 O S4 -","- C18 H24 Mo N2 O S4 -","- C144 H192 Mo8 N16 O8 S32 -","8","1","","Garrett, Benjamin R.; Polen, Shane M.; Click, Kevin A.; He, Mingfu; Huang, Zhongjie; Hadad, Christopher M.; Wu, Yiying","Tunable Molecular MoS2 Edge-Site Mimics for Catalytic Hydrogen Production.","Inorganic chemistry","2016","55","8","3960","3966","10.1021/acs.inorgchem.6b00206","","x-ray","0.71073","MoKα","","0.0772","0.0503","","","0.1292","0.1446","","","","","","1.036","","","","has coordinates,has disorder","232333","2020-10-21","18:00:00",""
"4347471","15.293","0.0002","10.7524","0.0001","14.7693","0.0001","90","","116.144","0.001","90","","2180.14","0.04","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Mo N2 O3 S4 -","- C19 H20 Mo N2 O3 S4 -","- C76 H80 Mo4 N8 O12 S16 -","4","1","","Garrett, Benjamin R.; Polen, Shane M.; Click, Kevin A.; He, Mingfu; Huang, Zhongjie; Hadad, Christopher M.; Wu, Yiying","Tunable Molecular MoS2 Edge-Site Mimics for Catalytic Hydrogen Production.","Inorganic chemistry","2016","55","8","3960","3966","10.1021/acs.inorgchem.6b00206","","x-ray","0.71073","MoKα","","0.0302","0.0253","","","0.0613","0.0639","","","","","","1.108","","","","has coordinates,has disorder","232334","2020-10-21","18:00:00",""
"4347472","11.342","0.002","14.41","0.003","17.142","0.003","100.301","0.002","106.67","0.002","111.644","0.002","2363.8","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H41 Bi Co F18 O10 -","- C37 H41 Bi Co F18 O10 -","- C74 H82 Bi2 Co2 F36 O20 -","2","1","","Lieberman, Craig M.; Wei, Zheng; Filatov, Alexander S.; Dikarev, Evgeny V.","Mixed-Ligand Approach to Changing the Metal Ratio in Bismuth-Transition Metal Heterometallic Precursors.","Inorganic chemistry","2016","55","8","3946","3951","10.1021/acs.inorgchem.6b00209","","","0.71073","MoKα","","0.0341","0.0296","","","0.0723","0.0743","","","","","","1.066","","","","has coordinates,has disorder","232335","2020-10-21","18:00:00",""
"4347473","11.18","0.002","13.596","0.002","31.448","0.006","90","","94.279","0.002","90","","4766.9","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 Bi F18 Ni O10 -","- C37 H41 Bi F18 Ni O10 -","- C148 H164 Bi4 F72 Ni4 O40 -","4","1","","Lieberman, Craig M.; Wei, Zheng; Filatov, Alexander S.; Dikarev, Evgeny V.","Mixed-Ligand Approach to Changing the Metal Ratio in Bismuth-Transition Metal Heterometallic Precursors.","Inorganic chemistry","2016","55","8","3946","3951","10.1021/acs.inorgchem.6b00209","","","0.71073","MoKα","","0.0514","0.0382","","","0.0806","0.0853","","","","","","1.054","","","","has coordinates,has disorder","232335","2020-10-21","18:00:00",""
"4347474","11.6565","0.0015","12.8922","0.0016","16.78","0.002","72.377","0.003","82.073","0.003","86.02","0.003","2379.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H41 Bi F18 Mn O10 -","- C37 H41 Bi F18 Mn O10 -","- C74 H82 Bi2 F36 Mn2 O20 -","2","1","","Lieberman, Craig M.; Wei, Zheng; Filatov, Alexander S.; Dikarev, Evgeny V.","Mixed-Ligand Approach to Changing the Metal Ratio in Bismuth-Transition Metal Heterometallic Precursors.","Inorganic chemistry","2016","55","8","3946","3951","10.1021/acs.inorgchem.6b00209","","","0.71073","MoKα","","0.0489","0.0355","","","0.073","0.0779","","","","","","1.07","","","","has coordinates,has disorder","232335","2020-10-21","18:00:00",""
"4347475","11.3391","0.0016","14.413","0.002","17.14","0.002","100.423","0.002","106.558","0.002","111.627","0.002","2364","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H41 Bi F18 Ni O10 -","- C37 H41 Bi F18 Ni O10 -","- C74 H82 Bi2 F36 Ni2 O20 -","2","1","","Lieberman, Craig M.; Wei, Zheng; Filatov, Alexander S.; Dikarev, Evgeny V.","Mixed-Ligand Approach to Changing the Metal Ratio in Bismuth-Transition Metal Heterometallic Precursors.","Inorganic chemistry","2016","55","8","3946","3951","10.1021/acs.inorgchem.6b00209","","","0.71073","MoKα","","0.0419","0.0343","","","0.0796","0.0835","","","","","","1.025","","","","has coordinates,has disorder","232335","2020-10-21","18:00:00",""
"4347476","14.754","0.012","14.763","0.012","15.556","0.01","64.15","0.03","61.78","0.02","81.56","0.02","2679","4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H36 Cl3 N2 O9 Re3 Se2 -","- C57 H36 Cl3 N2 O9 Re3 Se2 -","- C114 H72 Cl6 N4 O18 Re6 Se4 -","2","1","","Kaur, Tejinder; Lee, Way-Zen; Ravikanth, Mangalampalli","Rhenium(I) Tricarbonyl Complexes of meso-Tetraaryl-21,23-diheteroporphyrins.","Inorganic chemistry","2016","55","11","5305","5311","10.1021/acs.inorgchem.6b00214","","","0.71073","MoKα","","0.1676","0.0753","","","0.1595","0.1969","","","","","","1.007","","","","has coordinates","232336","2020-10-21","18:00:00",""
"4347477","19.974","0.014","13.135","0.01","9.901","0.007","90","","113.308","0.011","90","","2386","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Eu N5 O8 -","- C20 H14 Eu N5 O8 -","- C80 H56 Eu4 N20 O32 -","4","0.5","","Li, Gao-Peng; Liu, Ge; Li, Yong-Zhi; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","Uncommon Pyrazoyl-Carboxyl Bifunctional Ligand-Based Microporous Lanthanide Systems: Sorption and Luminescent Sensing Properties.","Inorganic chemistry","2016","55","8","3952","3959","10.1021/acs.inorgchem.6b00217","","","0.71073","MoKα","","0.0421","0.035","","","0.0802","0.0846","","","","","","1.014","","","","has coordinates","232337","2020-10-21","18:00:00",""
"4347478","20.01","0.004","13.193","0.003","9.895","0.0019","90","","113.142","0.003","90","","2402","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N5 O8 Tb -","- C20 H14 N5 O8 Tb -","- C80 H56 N20 O32 Tb4 -","4","0.5","","Li, Gao-Peng; Liu, Ge; Li, Yong-Zhi; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","Uncommon Pyrazoyl-Carboxyl Bifunctional Ligand-Based Microporous Lanthanide Systems: Sorption and Luminescent Sensing Properties.","Inorganic chemistry","2016","55","8","3952","3959","10.1021/acs.inorgchem.6b00217","","","0.71073","MoKα","","0.0409","0.0327","","","0.0714","0.0751","","","","","","1.024","","","","has coordinates","232337","2020-10-21","18:00:00",""
"4347479","19.81","0.01","13.153","0.007","9.806","0.005","90","","113.196","0.008","90","","2349","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Er N5 O8 -","- C20 H14 Er N5 O8 -","- C80 H56 Er4 N20 O32 -","4","0.5","","Li, Gao-Peng; Liu, Ge; Li, Yong-Zhi; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","Uncommon Pyrazoyl-Carboxyl Bifunctional Ligand-Based Microporous Lanthanide Systems: Sorption and Luminescent Sensing Properties.","Inorganic chemistry","2016","55","8","3952","3959","10.1021/acs.inorgchem.6b00217","","","0.71073","MoKα","","0.036","0.029","","","0.0602","0.0627","","","","","","1.036","","","","has coordinates","232337","2020-10-21","18:00:00",""
"4347480","8.6801","0.0007","38.646","0.003","13.2535","0.001","90","","107.141","0.002","90","","4248.4","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 As2 P2 -","- C48 H50 As2 P2 -","- C192 H200 As8 P8 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.1","0.0495","","","0.0988","0.1142","","","","","","1.022","","","","has coordinates,has disorder","232338","2020-10-21","18:00:00",""
"4347481","15.9653","0.0005","14.5149","0.0005","17.7782","0.0006","90","","91.854","0.001","90","","4117.7","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 As Cl N P -","- C48.0048 H52.0052 As1.0001 Cl1.0001 N1.0001 P1.0001 -","- C192.019 H208.021 As4.0004 Cl4.0004 N4.0004 P4.0004 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.0732","0.0428","","","0.1014","0.1141","","","","","","1.03","","","","has coordinates,has disorder","232338","2020-10-21","18:00:00",""
"4347482","16.0768","0.0006","14.5459","0.0006","17.9595","0.0007","90","","90.972","0.002","90","","4199.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 Cl N P Sb -","- C48 H52 Cl N P Sb -","- C192 H208 Cl4 N4 P4 Sb4 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.0507","0.0339","","","0.0794","0.0919","","","","","","1.038","","","","has coordinates,has disorder","232338","2020-10-21","18:00:00",""
"4347483","9.5435","0.0004","20.4621","0.0007","25.4288","0.0009","90","","99.148","0.002","90","","4902.6","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H56 Bi2 Cl2 P2 -","- C54 H56 Bi2 Cl2 P2 -","- C216 H224 Bi8 Cl8 P8 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.0568","0.0328","","","0.0509","0.0566","","","","","","1.01","","","","has coordinates","232338","2020-10-21","18:00:00",""
"4347484","12.715","0.0005","18.7806","0.0007","22.7572","0.0008","96.027","0.002","103.32","0.002","92.838","0.002","5243.6","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H53 Bi3 Cl5 P2 -","- C51 H53 Bi3 Cl5 P2 -","- C204 H212 Bi12 Cl20 P8 -","4","2","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.0694","0.0423","","","0.0861","0.0968","","","","","","1.03","","","","has coordinates,has disorder","232338","2020-10-21","18:00:00",""
"4347485","40.2089","0.0019","15.4803","0.0008","15.7137","0.0008","90","","90","","90","","9780.9","0.8","123","2","123","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C48 H50 Bi3 Cl5 P2 -","- C48 H50 Bi3 Cl5 P2 -","- C384 H400 Bi24 Cl40 P16 -","8","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.0913","0.0438","","","0.066","0.079","","","","","","1.017","","","","has coordinates","232338","2020-10-21","18:00:00",""
"4347486","8.8387","0.0005","40.938","0.003","13.018","0.0008","90","","92.466","0.003","90","","4706.1","0.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51.5 H54 Cl2 P2 Sb2 -","- C51.5 H54 Cl2 P2 Sb2 -","- C206 H216 Cl8 P8 Sb8 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.0439","0.0356","","","0.0706","0.0733","","","","","","1.147","","","","has coordinates","232338","2020-10-21","18:00:00",""
"4347487","14.2886","0.0005","19.7314","0.0007","23.5236","0.0008","90","","94.439","0.002","90","","6612.2","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H82 Cl3 N2 P2 Sb2 -","- C72 H82 Cl3 N2 P2 Sb2 -","- C288 H328 Cl12 N8 P8 Sb8 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.0802","0.0399","","","0.0693","0.0832","","","","","","1.014","","","","has coordinates,has disorder","232338","2020-10-21","18:00:00",""
"4347488","24.229","0.0016","14.4468","0.001","24.3195","0.0013","90","","90","","90","","8512.6","0.9","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H50 Cl2 P4 -","- C48 H50 Cl2 P4 -","- C384 H400 Cl16 P32 -","8","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.1068","0.048","","","0.0919","0.1167","","","","","","1.002","","","","has coordinates,has disorder","232338","2020-10-21","18:00:00",""
"4347489","12.362","0.0003","15.7778","0.0004","49.6197","0.0015","90","","90","","90","","9678.1","0.4","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C53.91 H55.91 As2 Cl2 P2 -","- C53.9076 H55.9076 As2 Cl2 P2 -","- C431.261 H447.261 As16 Cl16 P16 -","8","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.0991","0.0461","","","0.0812","0.0969","","","","","","1.014","","","","has coordinates,has disorder","232338","2020-10-21","18:00:00",""
"4347490","25.4408","0.001","14.2572","0.0006","24.9872","0.0012","90","","101.628","0.003","90","","8877.2","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48.11 H50.22 As2 Cl2.22 P2 -","- C48.113 H50.226 As2 Cl2.2259 P2 -","- C384.904 H401.808 As16 Cl17.8072 P16 -","8","2","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.1518","0.0609","","","0.1073","0.1393","","","","","","1","","","","has coordinates,has disorder","232338","2020-10-21","18:00:00",""
"4347491","18.6397","0.0005","12.4461","0.0003","30.7444","0.0009","90","","90","","90","","7132.4","0.3","180","","180","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29.5 H35 Br Dy N3 O12.5 Zn -","- C29.5 H31 Br Dy N3 O12.5 Zn -","- C236 H248 Br8 Dy8 N24 O100 Zn8 -","8","1","","Costes, Jean Pierre; Titos-Padilla, Silvia; Oyarzabal, Itziar; Gupta, Tulika; Duhayon, Carine; Rajaraman, Gopalan; Colacio, Enrique","Effect of Ligand Substitution around the Dy(III) on the SMM Properties of Dual-Luminescent Zn-Dy and Zn-Dy-Zn Complexes with Large Anisotropy Energy Barriers: A Combined Theoretical and Experimental Magnetostructural Study.","Inorganic chemistry","2016","55","9","4428","4440","10.1021/acs.inorgchem.6b00228","","","0.71073","MoKα","","0.0505","0.0441","","0.0531","0.0412","0.0392","","","","","","1.0184","","","","has coordinates","232339","2020-10-21","18:00:00",""
"4347492","8.39264","0.00012","29.4811","0.0005","20.2037","0.0003","90","","93.7377","0.0013","90","","4988.25","0.13","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H55 Br2 Cl Dy N6 O12 Zn2 -","- C36 H53 Br2 Cl Dy N6 O12 Zn2 -","- C144 H212 Br8 Cl4 Dy4 N24 O48 Zn8 -","4","1","","Costes, Jean Pierre; Titos-Padilla, Silvia; Oyarzabal, Itziar; Gupta, Tulika; Duhayon, Carine; Rajaraman, Gopalan; Colacio, Enrique","Effect of Ligand Substitution around the Dy(III) on the SMM Properties of Dual-Luminescent Zn-Dy and Zn-Dy-Zn Complexes with Large Anisotropy Energy Barriers: A Combined Theoretical and Experimental Magnetostructural Study.","Inorganic chemistry","2016","55","9","4428","4440","10.1021/acs.inorgchem.6b00228","","","0.71073","MoKα","","0.0828","0.0654","","0.0737","0.0633","0.0616","","","","","","1.0853","","","","has coordinates","232340","2020-10-21","18:00:00",""
"4347493","20.449","0.002","32.406","0.003","17.828","0.002","90","","112.518","0.001","90","","10913.4","1.9","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H169 Na3 O12 Zr2 -","- C112 H169 Na3 O12 Zr2 -","- C448 H676 Na12 O48 Zr8 -","4","1","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Zirconium Hydride Complex Supported by a Tetradentate Carbon-Centered Tripodal Tris(aryloxide) Ligand: Synthesis, Structure, and Reactivity.","Inorganic chemistry","2016","55","8","3967","3973","10.1021/acs.inorgchem.6b00233","","","0.71075","MoKα","","0.1053","0.0783","","","0.1964","0.2177","","","","","","1.077","","","","has coordinates,has disorder","232341","2020-10-21","18:00:00",""
"4347494","15.356","0.003","19.003","0.004","21.354","0.004","90","","90.029","0.004","90","","6231","2","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C122 H191 Na3 O19 Zr2 -","- C122 H187.96 Na3 O19 Zr2 -","- C244 H375.92 Na6 O38 Zr4 -","2","1","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Zirconium Hydride Complex Supported by a Tetradentate Carbon-Centered Tripodal Tris(aryloxide) Ligand: Synthesis, Structure, and Reactivity.","Inorganic chemistry","2016","55","8","3967","3973","10.1021/acs.inorgchem.6b00233","","","0.71075","MoKα","","0.0929","0.0701","","","0.1618","0.1869","","","","","","1.075","","","","has coordinates,has disorder","232341","2020-10-21","18:00:00",""
"4347495","23.381","0.005","14.74","0.003","40.457","0.009","90","","94.695","0.002","90","","13896","5","123","2","123","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C132 H212 Na3 O17.5 P3 Zr2 -","- C130 H204.38 Na3 O17 P3 Zr2 -","- C520 H817.522 Na12 O68 P12 Zr8 -","4","2","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Zirconium Hydride Complex Supported by a Tetradentate Carbon-Centered Tripodal Tris(aryloxide) Ligand: Synthesis, Structure, and Reactivity.","Inorganic chemistry","2016","55","8","3967","3973","10.1021/acs.inorgchem.6b00233","","","0.71075","MoKα","","0.1216","0.0918","","","0.203","0.2321","","","","","","1.037","","","","has coordinates,has disorder","289268","2024-02-02","08:58:43",""
"4347496","34.4443","0.0009","34.4443","0.0009","34.4443","0.0009","90","","90","","90","","40865.1","1.8","123","2","123","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C185 H300 N9 Na3 O18 Zr3 -","- C165 H252 N9 Na3 O18 Zr3 -","- C1320 H2016 N72 Na24 O144 Zr24 -","8","0.333333","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Zirconium Hydride Complex Supported by a Tetradentate Carbon-Centered Tripodal Tris(aryloxide) Ligand: Synthesis, Structure, and Reactivity.","Inorganic chemistry","2016","55","8","3967","3973","10.1021/acs.inorgchem.6b00233","","","0.71075","MoKα","","0.1308","0.0994","","","0.2933","0.321","","","","","","1.105","","","","has coordinates,has disorder","232341","2020-10-21","18:00:00",""
"4347497","14.1612","0.0002","52.6916","0.0009","17.1576","0.0003","90","","90.134","0.001","90","","12802.6","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 B2 F8 Fe N12 P S -","- C15 H21 B2 F8 Fe N12 P S -","- C300 H420 B40 F160 Fe20 N240 P20 S20 -","20","5","","Stock, Philipp; Deck, Eva; Hohnstein, Silvia; Korzekwa, Jana; Meyer, Karsten; Heinemann, Frank W.; Breher, Frank; Hörner, Gerald","Molecular Spin Crossover in Slow Motion: Light-Induced Spin-State Transitions in Trigonal Prismatic Iron(II) Complexes.","Inorganic chemistry","2016","55","11","5254","5265","10.1021/acs.inorgchem.6b00238","","","0.71073","MoKα","","0.0634","0.0569","","","0.1234","0.1263","","","","","","1.103","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347498","10.298","0.002","13.959","0.003","25.782","0.005","90","","97.13","0.03","90","","3677.5","1.3","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H33 F6 Fe N12 O8 P S3 -","- C21 H33 F6 Fe N12 O8 P S3 -","- C84 H132 F24 Fe4 N48 O32 P4 S12 -","4","1","","Stock, Philipp; Deck, Eva; Hohnstein, Silvia; Korzekwa, Jana; Meyer, Karsten; Heinemann, Frank W.; Breher, Frank; Hörner, Gerald","Molecular Spin Crossover in Slow Motion: Light-Induced Spin-State Transitions in Trigonal Prismatic Iron(II) Complexes.","Inorganic chemistry","2016","55","11","5254","5265","10.1021/acs.inorgchem.6b00238","","","0.71073","MoKα","","0.0404","0.0368","","","0.1042","0.1072","","","","","","1.063","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347499","10.078","0.0014","10.078","0.0014","16.09","0.003","90","","90","","120","","1415.3","0.4","200","2","200","2","","","","","","","","8","P 63","P 6c","173","","","","- C18 H27 B2 F8 Fe N12 P S -","- C18 H27 B1.9998 F7.9992 Fe N12 P S -","- C36 H54 B3.9996 F15.9984 Fe2 N24 P2 S2 -","2","0.333333","","Stock, Philipp; Deck, Eva; Hohnstein, Silvia; Korzekwa, Jana; Meyer, Karsten; Heinemann, Frank W.; Breher, Frank; Hörner, Gerald","Molecular Spin Crossover in Slow Motion: Light-Induced Spin-State Transitions in Trigonal Prismatic Iron(II) Complexes.","Inorganic chemistry","2016","55","11","5254","5265","10.1021/acs.inorgchem.6b00238","","","0.71073","MoKα","","0.0435","0.0429","","","0.1181","0.1194","","","","","","1.058","","","","has coordinates,has disorder","232342","2020-10-21","18:00:00",""
"4347500","13.8034","0.0011","9.9319","0.0008","13.968","0.0011","90","","90","","90","","1914.9","0.3","90","2","90","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H16 Fe N4 S4 -","- C16 H16 Fe N4 S4 -","- C64 H64 Fe4 N16 S16 -","4","0.5","","Arroyave, Alejandra; Lennartson, Anders; Dragulescu-Andrasi, Alina; Pedersen, Kasper S.; Piligkos, Stergios; Stoian, Sebastian A.; Greer, Samuel M.; Pak, Chongin; Hietsoi, Oleksandr; Phan, Hoa; Hill, Stephen; McKenzie, Christine J.; Shatruk, Michael","Spin Crossover in Fe(II) Complexes with N4S2 Coordination.","Inorganic chemistry","2016","55","12","5904","5913","10.1021/acs.inorgchem.6b00246","","","0.71073","MoKα","","0.0378","0.0346","","","0.094","0.0956","","","","","","1.119","","","","has coordinates","232344","2020-10-21","18:00:00",""
"4347501","20.3243","0.0013","7.9693","0.0005","14.0085","0.0009","90","","123.205","0.001","90","","1898.5","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 B2 Fe N4 S2 -","- C16 H22 B2 Fe N4 S2 -","- C64 H88 B8 Fe4 N16 S8 -","4","0.5","","Arroyave, Alejandra; Lennartson, Anders; Dragulescu-Andrasi, Alina; Pedersen, Kasper S.; Piligkos, Stergios; Stoian, Sebastian A.; Greer, Samuel M.; Pak, Chongin; Hietsoi, Oleksandr; Phan, Hoa; Hill, Stephen; McKenzie, Christine J.; Shatruk, Michael","Spin Crossover in Fe(II) Complexes with N4S2 Coordination.","Inorganic chemistry","2016","55","12","5904","5913","10.1021/acs.inorgchem.6b00246","","","0.71073","MoKα","","0.0331","0.0263","","","0.0641","0.0667","","","","","","1.064","","","","has coordinates","232345","2020-10-21","18:00:00",""
"4347502","13.857","0.006","9.851","0.004","14.252","0.006","90","","90","","90","","1945.5","1.4","230","2","230","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H16 Fe N4 S4 -","- C16 H16 Fe N4 S4 -","- C64 H64 Fe4 N16 S16 -","4","0.5","","Arroyave, Alejandra; Lennartson, Anders; Dragulescu-Andrasi, Alina; Pedersen, Kasper S.; Piligkos, Stergios; Stoian, Sebastian A.; Greer, Samuel M.; Pak, Chongin; Hietsoi, Oleksandr; Phan, Hoa; Hill, Stephen; McKenzie, Christine J.; Shatruk, Michael","Spin Crossover in Fe(II) Complexes with N4S2 Coordination.","Inorganic chemistry","2016","55","12","5904","5913","10.1021/acs.inorgchem.6b00246","","","0.71073","MoKα","","0.0386","0.0317","","","0.0767","0.0808","","","","","","1.082","","","","has coordinates,has disorder","232346","2020-10-21","18:00:00",""
"4347503","20.824","0.01","8.093","0.004","14.26","0.007","90","","122.86","0.005","90","","2018.7","1.7","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 B2 Fe N4 S2 -","- C16 H22 B2 Fe N4 S2 -","- C64 H88 B8 Fe4 N16 S8 -","4","0.5","","Arroyave, Alejandra; Lennartson, Anders; Dragulescu-Andrasi, Alina; Pedersen, Kasper S.; Piligkos, Stergios; Stoian, Sebastian A.; Greer, Samuel M.; Pak, Chongin; Hietsoi, Oleksandr; Phan, Hoa; Hill, Stephen; McKenzie, Christine J.; Shatruk, Michael","Spin Crossover in Fe(II) Complexes with N4S2 Coordination.","Inorganic chemistry","2016","55","12","5904","5913","10.1021/acs.inorgchem.6b00246","","","0.71073","MoKα","","0.0282","0.0254","","","0.0691","0.0706","","","","","","1.085","","","","has coordinates","232347","2020-10-21","18:00:00",""
"4347504","18.6567","0.0005","18.6567","0.0005","38.6198","0.0013","90","","90","","120","","11641.5","0.6","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C23.5 H16 Cu2 O11 -","- C23.5 H12 Cu2 O11 -","- C211.5 H108 Cu18 O99 -","9","0.25","","Jiao, Jingjing; Liu, Huimin; Bai, Dongjie; He, Yabing","A Chemically Cross-Linked NbO-Type Metal-Organic Framework: Cage or Window Partition?","Inorganic chemistry","2016","55","8","3974","3979","10.1021/acs.inorgchem.6b00253","","","1.54178","CuKα","","0.0891","0.0736","","","0.2188","0.2343","","","","","","1.016","","","","has coordinates","232348","2020-10-21","18:00:00",""
"4347505","17.588","0.005","17.588","0.005","11.615","0.004","90","","90","","90","","3593","1.9","123","2","123","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C60 H98 Mn4 N5 O29 Y -","- C60 H98 Mn4 N5 O29 Y -","- C120 H196 Mn8 N10 O58 Y2 -","2","0.25","","Cao, Fan; Wei, Rong-Min; Li, Jing; Yang, Li; Han, Yuan; Song, You; Dou, Jian-Min","Ferromagnetic Polarization: The Quantum Picture of Switching On/Off Single-Molecule Magnetism.","Inorganic chemistry","2016","55","12","5914","5923","10.1021/acs.inorgchem.6b00255","","","0.71073","MoKα","","0.1121","0.0837","","","0.2187","0.2341","","","","","","1.09","","","","has coordinates","232349","2020-10-21","18:00:00",""
"4347506","14.906","0.0008","14.906","0.0008","52.534","0.003","90","","90","","90","","11672.5","1.1","123","2","123","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C172 H262 Mn8 N36 O44 W3 Y2 -","- C140 H182 Mn8 N32 O45 W3 Y2 -","- C280 H364 Mn16 N64 O90 W6 Y4 -","2","0.125","","Cao, Fan; Wei, Rong-Min; Li, Jing; Yang, Li; Han, Yuan; Song, You; Dou, Jian-Min","Ferromagnetic Polarization: The Quantum Picture of Switching On/Off Single-Molecule Magnetism.","Inorganic chemistry","2016","55","12","5914","5923","10.1021/acs.inorgchem.6b00255","","","0.71073","MoKα","","0.0644","0.0511","","","0.1591","0.1681","","","","","","1.043","","","","has coordinates,has disorder","232349","2020-10-21","18:00:00",""
"4347507","12.6615","0.0006","9.8438","0.0006","26.6819","0.0012","90","","90","","90","","3325.6","0.3","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H20 Fe N10 S4 -","- C36 H20 Fe N10 S4 -","- C144 H80 Fe4 N40 S16 -","4","0.5","","Yang, Qian; Gao, Chen; Wang, Ye-Xin; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Two Magnetic Switching Complexes Based on the Fe(II) Ion.","Inorganic chemistry","2016","55","16","7805","7807","10.1021/acs.inorgchem.6b00258","","","0.7107","MoKα","","0.093","0.081","","","0.2132","0.2233","","","","","","1.023","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347508","12.7935","0.0008","26.6085","0.0018","9.9374","0.0008","90","","90","","90","","3382.8","0.4","100.02","0.12","100.02","0.12","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C36 H20 Fe N10 S4 -","- C36 H20 Fe N10 S4 -","- C144 H80 Fe4 N40 S16 -","4","0.5","","Yang, Qian; Gao, Chen; Wang, Ye-Xin; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Two Magnetic Switching Complexes Based on the Fe(II) Ion.","Inorganic chemistry","2016","55","16","7805","7807","10.1021/acs.inorgchem.6b00258","","","0.7107","MoKα","","0.0616","0.0558","","","0.1513","0.1576","","","","","","1.06","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347509","13.402","0.0007","26.5439","0.0014","9.5831","0.0007","90","","90","","90","","3409.1","0.4","250.01","0.1","250.01","0.1","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C36 H20 Fe N10 S4 -","- C36 H20 Fe N10 S4 -","- C144 H80 Fe4 N40 S16 -","4","0.5","","Yang, Qian; Gao, Chen; Wang, Ye-Xin; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Two Magnetic Switching Complexes Based on the Fe(II) Ion.","Inorganic chemistry","2016","55","16","7805","7807","10.1021/acs.inorgchem.6b00258","","","0.7107","MoKα","","0.0678","0.0564","","","0.1566","0.1682","","","","","","1.062","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347510","10.4027","0.0013","12.3519","0.0011","10.4989","0.0009","90","","119.58","0.002","90","","1173.2","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H32 F6 K O6 P Si2 -","- C14 H32 F6 K O6 P Si2 -","- C28 H64 F12 K2 O12 P2 Si4 -","2","1","","Reuter, Kirsten; Buchner, Magnus R.; Thiele, Günther; von Hänisch, Carsten","Stable Alkali-Metal Complexes of Hybrid Disila-Crown Ethers.","Inorganic chemistry","2016","55","9","4441","4447","10.1021/acs.inorgchem.6b00267","","","0.71073","MoKα","","0.0474","0.033","","","0.0564","0.0603","","","","","","1.02","","","","has coordinates","232351","2020-10-21","18:00:00",""
"4347511","10.1612","0.0003","13.9035","0.0005","19.6348","0.0007","90","","90","","90","","2773.93","0.16","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C13 H34 Cl2 F6 Li O4 P Si4 -","- C13 H34 Cl2 F6 Li O4 P Si4 -","- C52 H136 Cl8 F24 Li4 O16 P4 Si16 -","4","1","","Reuter, Kirsten; Buchner, Magnus R.; Thiele, Günther; von Hänisch, Carsten","Stable Alkali-Metal Complexes of Hybrid Disila-Crown Ethers.","Inorganic chemistry","2016","55","9","4441","4447","10.1021/acs.inorgchem.6b00267","","","0.71073","MoKα","","0.0469","0.0355","","","0.069","0.0732","","","","","","1.035","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347512","13.73","0.0007","16.9864","0.0007","16.9091","0.0008","90","","93.9527","0.0017","90","","3934.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 F3 Li O7 S Si2 -","- C11 H24 F3 Li O7 S Si2 -","- C88 H192 F24 Li8 O56 S8 Si16 -","8","2","","Reuter, Kirsten; Buchner, Magnus R.; Thiele, Günther; von Hänisch, Carsten","Stable Alkali-Metal Complexes of Hybrid Disila-Crown Ethers.","Inorganic chemistry","2016","55","9","4441","4447","10.1021/acs.inorgchem.6b00267","","","0.71073","MoKα","","0.0433","0.0381","","","0.0889","0.091","","","","","","1.134","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347513","9.8536","0.0005","9.9654","0.0005","13.0638","0.0006","91.291","0.002","92.82","0.002","97.259","0.002","1270.44","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 Cl Na O9 Si2 -","- C18 H34 Cl Na O9 Si2 -","- C36 H68 Cl2 Na2 O18 Si4 -","2","1","","Reuter, Kirsten; Buchner, Magnus R.; Thiele, Günther; von Hänisch, Carsten","Stable Alkali-Metal Complexes of Hybrid Disila-Crown Ethers.","Inorganic chemistry","2016","55","9","4441","4447","10.1021/acs.inorgchem.6b00267","","","0.71073","MoKα","","0.0474","0.0403","","","0.1092","0.1141","","","","","","1.068","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347514","16.9114","0.0013","54.51","0.003","20.0183","0.0011","90","","109.747","0.008","90","","17368","2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C152 H126 Mn8 N56 Nb4 O23 -","- C152 H126 Mn8 N56 Nb4 O23 -","- C608 H504 Mn32 N224 Nb16 O92 -","4","1","","Magott, Michał; Tomkowiak, Hanna; Katrusiak, Andrzej; Nitek, Wojciech; Sieklucka, Barbara; Pinkowicz, Dawid","Two Cyanide-Bridged Mn(II)-Nb(IV) Coordination Chain Ferrimagnets Promoted by Interchain Ferromagnetic Interactions.","Inorganic chemistry","2016","55","11","5281","5286","10.1021/acs.inorgchem.6b00269","","","1.54056","CuKα","","0.3567","0.1701","","","0.3789","0.4953","","","","","","1.094","","","","has coordinates","232355","2020-10-21","18:00:00",""
"4347515","10.53","0.005","16.296","0.005","23.221","0.005","90","","109.7","0.014","90","","3751","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Mn2 N12 Nb O9 -","- C28 H23 Mn2 N12 Nb O9 -","- C112 H92 Mn8 N48 Nb4 O36 -","4","1","","Magott, Michał; Tomkowiak, Hanna; Katrusiak, Andrzej; Nitek, Wojciech; Sieklucka, Barbara; Pinkowicz, Dawid","Two Cyanide-Bridged Mn(II)-Nb(IV) Coordination Chain Ferrimagnets Promoted by Interchain Ferromagnetic Interactions.","Inorganic chemistry","2016","55","11","5281","5286","10.1021/acs.inorgchem.6b00269","","","0.71069","MoKα","","0.1286","0.0537","","","0.1182","0.147","","","","","","0.972","","","","has coordinates","232356","2020-10-21","18:00:00",""
"4347516","16.994","0.002","54.523","0.007","19.801","0.003","90","","109.553","0.003","90","","17289","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C152 H96 Mn8 N56 Nb4 O28 -","- C152 H96 Mn8 N56 Nb4 O28 -","- C608 H384 Mn32 N224 Nb16 O112 -","4","1","","Magott, Michał; Tomkowiak, Hanna; Katrusiak, Andrzej; Nitek, Wojciech; Sieklucka, Barbara; Pinkowicz, Dawid","Two Cyanide-Bridged Mn(II)-Nb(IV) Coordination Chain Ferrimagnets Promoted by Interchain Ferromagnetic Interactions.","Inorganic chemistry","2016","55","11","5281","5286","10.1021/acs.inorgchem.6b00269","","","0.71073","MoKα","","0.1407","0.0882","","","0.1841","0.211","","","","","","1.038","","","","has coordinates","232357","2020-10-21","18:00:00",""
"4347517","12.1065","0.0011","12.717","0.001","16.224","0.002","79.35","0.011","89.029","0.01","78.237","0.006","2402.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H58 B2 Fe N6 O14 S4 -","- C40 H58 B2 Fe N6 O14 S4 -","- C80 H116 B4 Fe2 N12 O28 S8 -","2","1","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.71073","MoKα","","0.141","0.1072","","","0.2666","0.2952","","","","","","1.111","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347518","35.8409","0.0002","42.7516","0.0002","50.813","0.0005","90","","91.528","0.001","90","","77830.8","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C324 H340 B12 N41 O84 Zn20 -","- C324 H340 B12 N41 O84 Zn20 -","- C1296 H1360 B48 N164 O336 Zn80 -","4","0.5","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.69633","synchrotron","","0.1192","0.1118","","","0.4136","0.4229","","","","","","2.002","","","","has coordinates,has disorder","232359","2020-10-21","18:00:00",""
"4347519","27.75","0.005","27.75","0.005","27.75","0.005","70.755","0.007","70.755","0.007","70.755","0.007","18453","6","180","2","180","2","","","","","","","","6","R -3 m :R","-P 3* 2","166","","","","- C150 H141 B6 N18 O40 Zn10 -","- C150 H141 B6 N18 O40 Zn10 -","- C300 H282 B12 N36 O80 Zn20 -","2","0.166667","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.71073","MoKα","","0.1327","0.1036","","","0.3446","0.3878","","","","","","1.806","","","","has coordinates,has disorder","232360","2020-10-21","18:00:00",""
"4347520","31.837","0.008","31.837","0.008","62.41","0.02","90","","90","","120","","54783","3","100","2","100","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C150 H141 B6 Co6 N18 O41 Zn4 -","- C150 H141 B6 Co6 N18 O41 Zn4 -","- C900 H846 B36 Co36 N108 O246 Zn24 -","6","0.166667","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.71073","MoKα","","0.1677","0.1038","","","0.2752","0.3461","","","","","","1.305","","","","has coordinates,has disorder","232361","2020-10-21","18:00:00",""
"4347521","25.183","0.01","24.173","0.006","19.292","0.006","90","","118.283","0.018","90","","10342","6","140","2","140","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H41 B2 Fe N7 O11 Zn -","- C36 H41 B2 Fe N7 O11 Zn -","- C288 H328 B16 Fe8 N56 O88 Zn8 -","8","1","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.71073","MoKα","","0.0873","0.0664","","","0.1852","0.2002","","","","","","0.979","","","","has coordinates","232362","2020-10-21","18:00:00",""
"4347522","19.95","0.004","22.639","0.005","10.833","0.002","90","","93.9","0.03","90","","4881.4","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H52 B2 Fe N6 O13 S3 -","- C38 H52 B2 Fe N6 O13 S3 -","- C152 H208 B8 Fe4 N24 O52 S12 -","4","0.5","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.71073","MoKα","","0.1105","0.0734","","","0.1617","0.1763","","","","","","1.153","","","","has coordinates,has disorder","232363","2020-10-21","18:00:00",""
"4347523","40.845","0.005","42.367","0.005","34.547","0.009","90","","115.816","0.011","90","","53816","17","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C121 H83 B4 Br4 N13 O34 S2 Zn8 -","- C121 H83 B4 Br4 N13 O34 S2 Zn8 -","- C968 H664 B32 Br32 N104 O272 S16 Zn64 -","8","1","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.71073","MoKα","","0.1701","0.1071","","","0.3391","0.3958","","","","","","1.48","","","","has coordinates","232364","2020-10-21","18:00:00",""
"4347524","45.916","0.004","30.605","0.002","27.785","0.002","90","","100.851","0.008","90","","38347","5","100","2","100","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C114 H60 B6 Br9 Co6 N18 O40 Zn4 -","- C114 H60 B6 Br9 Co6 N18 O40 Zn4 -","- C456 H240 B24 Br36 Co24 N72 O160 Zn16 -","4","0.5","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.69561","synchrotron","","0.1435","0.1124","","","0.3354","0.3563","","","","","","1.2","","","","has coordinates","232365","2020-10-21","18:00:00",""
"4347525","16.359","0.002","16.504","0.002","32.228","0.006","79.278","0.012","77.959","0.013","62.972","0.011","7539","2","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C61.5 H73 B2 Co2 N7 O13 -","- C61.5 H71 B2 Co2 N7 O13 -","- C246 H284 B8 Co8 N28 O52 -","4","4","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.71073","MoKα","","0.1252","0.0953","","","0.2407","0.2661","","","","","","1.037","","","","has coordinates","232366","2020-10-21","18:00:00",""
"4347526","31.473","0.005","31.473","0.005","62.316","0.013","90","","90","","120","","53457","16","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C150 H141 B6 Co6 N18 O40 Zn4 -","- C150 H141 B6 Co6 N18 O40 Zn4 -","- C900 H846 B36 Co36 N108 O240 Zn24 -","6","0.333333","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.69561","synchrotron","","0.1506","0.1386","","","0.4374","0.4473","","","","","","1.935","","","","has coordinates,has disorder","232367","2020-10-21","18:00:00",""
"4347527","29.382","0.006","6.574","0.0013","22.388","0.004","90","","112.35","0.03","90","","3999.5","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 F3 N4 O4 Rh S -","- C19 H14 F3 N4 O4 Rh S -","- C152 H112 F24 N32 O32 Rh8 S8 -","8","2","","Chan, Alan Kwun-Wa; Wu, Di; Wong, Keith Man-Chung; Yam, Vivian Wing-Wah","Rhodium(I) Complexes of Tridentate N-Donor Ligands and Their Supramolecular Assembly Studies.","Inorganic chemistry","2016","55","7","3685","3691","10.1021/acs.inorgchem.6b00289","","","0.85","","","0.0956","0.0851","","","0.1797","0.1847","","","","","","1.09","","","","has coordinates","232368","2020-10-21","18:00:00",""
"4347528","7.353","0.0002","7.3876","0.0002","10.1154","0.0003","73.526","0.001","88.665","0.001","63.878","0.001","469.8","0.02","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 Cu Mg N2 O14 -","- C14 H14 Cu Mg N2 O14 -","- C14 H14 Cu Mg N2 O14 -","1","0.5","","Saha, Debraj; Hazra, Dipak K.; Maity, Tanmoy; Koner, Subratanath","Heterometallic Metal-Organic Frameworks That Catalyze Two Different Reactions Sequentially.","Inorganic chemistry","2016","55","12","5729","5731","10.1021/acs.inorgchem.6b00292","","","0.71073","MoKα","","0.0279","0.0275","","","0.0835","0.0838","","","","","","1.158","","","","has coordinates","232369","2020-10-21","18:00:00",""
"4347529","4.9149","0.0006","15.297","0.002","9.5706","0.0012","90","","103.361","0.003","90","","700.07","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Ca Cu N2 O8 -","- C14 H6 Ca Cu N2 O8 -","- C28 H12 Ca2 Cu2 N4 O16 -","2","0.5","","Saha, Debraj; Hazra, Dipak K.; Maity, Tanmoy; Koner, Subratanath","Heterometallic Metal-Organic Frameworks That Catalyze Two Different Reactions Sequentially.","Inorganic chemistry","2016","55","12","5729","5731","10.1021/acs.inorgchem.6b00292","","","0.71073","MoKα","","0.0243","0.0238","","","0.0819","0.0825","","","","","","1.136","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347530","7.655","0.001","10.935","0.003","20.811","0.005","90","","95.48","0.002","90","","1734.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cu N2 O11 Sr -","- C14 H6 Cu N2 O11 Sr -","- C56 H24 Cu4 N8 O44 Sr4 -","4","1","","Saha, Debraj; Hazra, Dipak K.; Maity, Tanmoy; Koner, Subratanath","Heterometallic Metal-Organic Frameworks That Catalyze Two Different Reactions Sequentially.","Inorganic chemistry","2016","55","12","5729","5731","10.1021/acs.inorgchem.6b00292","","","0.71073","MoKα","","0.0855","0.0735","","","0.2013","0.2183","","","","","","1.219","","","","has coordinates","232369","2020-10-21","18:00:00",""
"4347531","7.945","0.005","10.896","0.005","21.504","0.005","90","","92.786","0.005","90","","1859.4","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ba Cu N2 O14 -","- C14 H6 Ba Cu N2 O14 -","- C56 H24 Ba4 Cu4 N8 O56 -","4","1","","Saha, Debraj; Hazra, Dipak K.; Maity, Tanmoy; Koner, Subratanath","Heterometallic Metal-Organic Frameworks That Catalyze Two Different Reactions Sequentially.","Inorganic chemistry","2016","55","12","5729","5731","10.1021/acs.inorgchem.6b00292","","","0.71073","MoKα","","0.0463","0.0431","","","0.1508","0.1609","","","","","","1.186","","","","has coordinates","232369","2020-10-21","18:00:00",""
"4347532","10.1116","0.0004","16.0288","0.0007","17.8163","0.0007","92.999","0.002","102.94","0.002","101.055","0.002","2748.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H72 N10 Ni5 O24 -","- C102 H72 N10 Ni5 O24 -","- C102 H72 N10 Ni5 O24 -","1","0.5","","Deenadayalan, M. S.; Sharma, Nayuesh; Verma, Praveen Kumar; Nagaraja, C. M.","Visible-Light-Assisted Photocatalytic Reduction of Nitroaromatics by Recyclable Ni(II)-Porphyrin Metal-Organic Framework (MOF) at RT.","Inorganic chemistry","2016","55","11","5320","5327","10.1021/acs.inorgchem.6b00296","","","0.71073","MoKα","","0.1024","0.0712","","","0.213","0.2279","","","","","","1.048","","","","has coordinates","232370","2020-10-21","18:00:00",""
"4347533","10.7727","0.0014","15.957","0.002","22.198","0.003","104.432","0.002","103.301","0.002","93.023","0.002","3571.7","0.8","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C66 H70 Cl2 F14 N14 O8 P2 Ru -","- C66 H70 Cl2 F14 N14 O8 P2 Ru -","- C132 H140 Cl4 F28 N28 O16 P4 Ru2 -","2","1","","Du, Jun; Kang, Yan; Zhao, Yao; Zheng, Wei; Zhang, Yang; Lin, Yu; Wang, Zhaoying; Wang, Yuanyuan; Luo, Qun; Wu, Kui; Wang, Fuyi","Synthesis, Characterization, and in Vitro Antitumor Activity of Ruthenium(II) Polypyridyl Complexes Tethering EGFR-Inhibiting 4-Anilinoquinazolines.","Inorganic chemistry","2016","55","9","4595","4605","10.1021/acs.inorgchem.6b00309","","","0.71073","MoKα","","0.0905","0.0743","","","0.1456","0.1562","","","","","","1.103","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347534","14.083","0.003","23.097","0.005","16.129","0.003","90","","98.31","0.003","90","","5191.3","1.8","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H59 B2 F8 Fe2 N11 O2 S -","- C47 H59 B2 F8 Fe2 N11 O2 S -","- C188 H236 B8 F32 Fe8 N44 O8 S4 -","4","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.1979","0.1121","","","0.3192","0.379","","","","","","1.133","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347535","14.245","0.003","22.076","0.005","15.843","0.004","90","","98.005","0.003","90","","4934","2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H54 B2 F8 Fe2 N10 O S -","- C45 H54 B2 F8 Fe2 N10 O S -","- C180 H216 B8 F32 Fe8 N40 O4 S4 -","4","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.1001","0.0748","","","0.1897","0.2086","","","","","","1.026","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347536","13.243","0.007","15.246","0.009","16.716","0.009","112.044","0.013","92.36","0.013","99.652","0.013","3064","3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H65 B2 F8 Fe2 N11 O2 S -","- C50 H65 B2 F8 Fe2 N11 O2 S -","- C100 H130 B4 F16 Fe4 N22 O4 S2 -","2","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.1069","0.0796","","","0.208","0.2223","","","","","","1.093","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347537","15.0909","0.0011","22.8058","0.0018","18.7389","0.0014","90","","97.948","0.002","90","","6387.2","0.8","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H61 B2 F8 Fe2 N11 O2 S -","- C52 H61 B2 F8 Fe2 N11 O2 S -","- C208 H244 B8 F32 Fe8 N44 O8 S4 -","4","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.1695","0.0924","","","0.2503","0.2896","","","","","","0.991","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347538","28.622","0.004","15.157","0.002","29.712","0.004","90","","111.377","0.003","90","","12003","3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C50 H54 B2 F8 Fe2 N10 O3 S -","- C50 H54 B2 F8 Fe2 N10 O3 S -","- C400 H432 B16 F64 Fe16 N80 O24 S8 -","8","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.2172","0.1072","","","0.2486","0.2854","","","","","","1.009","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347539","13.9029","0.0014","22.561","0.002","15.73","0.0016","90","","96.023","0.003","90","","4906.7","0.8","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 B2 F8 Fe2 N10 O3 S -","- C46 H54 B2 F8 Fe2 N10 O3 S -","- C184 H216 B8 F32 Fe8 N40 O12 S4 -","4","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.1079","0.0745","","","0.1811","0.2007","","","","","","1.048","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347540","13.068","0.002","13.342","0.002","17.83","0.003","104.02","0.005","93.043","0.004","106.951","0.004","2859.3","0.8","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H64 B2 F8 Fe2 N10 O3 S -","- C51 H64 B2 F8 Fe2 N10 O3 S -","- C102 H128 B4 F16 Fe4 N20 O6 S2 -","2","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.1637","0.0792","","","0.1898","0.2272","","","","","","0.979","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347541","13.7884","0.001","22.7777","0.0017","15.8097","0.0012","90","","97.04","0.002","90","","4927.9","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H56 B2 F8 Fe2 N10 O4 -","- C47 H56 B2 F8 Fe2 N10 O4 -","- C188 H224 B8 F32 Fe8 N40 O16 -","4","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.1704","0.0832","","","0.1762","0.2172","","","","","","1.02","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347542","9.205","0.006","16.268","0.011","25.917","0.018","90","","96.525","0.011","90","","3856","5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H50 N10 O -","- C43 H50 N10 O -","- C172 H200 N40 O4 -","4","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.1432","0.0704","","","0.1777","0.2143","","","","","","1.049","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347543","12.779","0.005","15.586","0.007","17.908","0.008","78.693","0.006","86.825","0.005","68.87","0.005","3262","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H77 B3 F12 Fe2 N14 O5 -","- C55 H77 B3 F12 Fe2 N14 O5 -","- C110 H154 B6 F24 Fe4 N28 O10 -","2","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.1922","0.0919","","","0.2275","0.2901","","","","","","1.03","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347544","13.8358","0.0013","22.191","0.002","15.5526","0.0015","90","","94.497","0.002","90","","4760.4","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 B2 F8 Fe2 N10 O3 -","- C45 H52 B2 F8 Fe2 N10 O3 -","- C180 H208 B8 F32 Fe8 N40 O12 -","4","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.0866","0.0728","","","0.1706","0.179","","","","","","1.092","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347545","11.6922","0.0007","11.6922","0.0007","11.6922","0.0007","90","","90","","90","","1598.41","0.17","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C11 H24 B Cu F4 N4 -","- C11 H23.9997 B Cu F4 N4 -","- C44 H95.9988 B4 Cu4 F16 N16 -","4","0.333333","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.0194","0.0179","","","0.045","0.0455","","","","","","1.087","","","","has coordinates,has disorder","232372","2020-10-21","18:00:00",""
"4347546","19.377","0.005","16.277","0.004","10.72","0.003","90","","101.384","0.005","90","","3314.6","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","{[Zn2(btec)(btzmb)].8H2O}n","","","- C24 H30 N10 O16 Zn2 -","- C24 H14 N10 O14 Zn2 -","- C96 H56 N40 O56 Zn8 -","4","1","","Zhao, Ya-Ping; Li, Yan; Cui, Cai-Yan; Xiao, Yu; Li, Rong; Wang, Shuai-Hua; Zheng, Fa-Kun; Guo, Guo-Cong","Tetrazole-Viologen-based Flexible Microporous Metal-Organic Framework with High CO2 Selective Uptake.","Inorganic chemistry","2016","55","15","7335","7340","10.1021/acs.inorgchem.6b00320","","","0.71073","MoKα","","0.055","0.0447","","","0.1505","0.1559","","","","","","1.091","","","","has coordinates","232373","2020-10-21","18:00:00",""
"4347547","30.285","0.003","26.445","0.002","17.9449","0.0013","90","","93.729","0.002","90","","14341","2","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C138 H170 F12 Mo4 N2 O30 P8 S4 -","- C138 H170 F12 Mo4 N2 O30 P8 S4 -","- C552 H680 F48 Mo16 N8 O120 P32 S16 -","4","1","","Henthorn, Justin T.; Agapie, Theodor","Modulation of Proton-Coupled Electron Transfer through Molybdenum-Quinonoid Interactions.","Inorganic chemistry","2016","55","11","5337","5342","10.1021/acs.inorgchem.6b00331","","","0.71073","MoKα","","0.1027","0.0609","","","0.1226","0.1369","","","","","","1.079","","","","has coordinates,has disorder","232374","2020-10-21","18:00:00",""
"4347548","10.0048","0.0005","27.6677","0.0016","19.3057","0.0011","90","","94.925","0.003","90","","5324.3","0.5","296","2","296.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H50 F12 Mo N4 O3 P2 Sb2 -","- C39 H50 F12 Mo N4 O3 P2 Sb2 -","- C156 H200 F48 Mo4 N16 O12 P8 Sb8 -","4","1","","Henthorn, Justin T.; Agapie, Theodor","Modulation of Proton-Coupled Electron Transfer through Molybdenum-Quinonoid Interactions.","Inorganic chemistry","2016","55","11","5337","5342","10.1021/acs.inorgchem.6b00331","","","0.71073","MoKα","","0.0523","0.0409","","","0.1434","0.1502","","","","","","1.132","","","","has coordinates","232374","2020-10-21","18:00:00",""
"4347549","11.3464","0.0004","21.2519","0.0008","17.4117","0.0007","90","","94.171","0.001","90","","4187.4","0.3","100","2","99.97","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H44 F6 Mo N2 O9 P2 S2 -","- C37 H44 F6 Mo N2 O9 P2 S2 -","- C148 H176 F24 Mo4 N8 O36 P8 S8 -","4","1","","Henthorn, Justin T.; Agapie, Theodor","Modulation of Proton-Coupled Electron Transfer through Molybdenum-Quinonoid Interactions.","Inorganic chemistry","2016","55","11","5337","5342","10.1021/acs.inorgchem.6b00331","","","0.71073","MoKα","","0.0495","0.0317","","","0.0958","0.1212","","","","","","0.592","","","","has coordinates","232374","2020-10-21","18:00:00",""
"4347550","16.255","","16.2548","0.001","22.2047","0.0015","90","","90","","90","","5867","0.5","100","2","100.02","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H38 Cl2 Mo O3 P2 -","- C31 H38 Cl2 Mo O3 P2 -","- C248 H304 Cl16 Mo8 O24 P16 -","8","1","","Henthorn, Justin T.; Agapie, Theodor","Modulation of Proton-Coupled Electron Transfer through Molybdenum-Quinonoid Interactions.","Inorganic chemistry","2016","55","11","5337","5342","10.1021/acs.inorgchem.6b00331","","","0.71073","MoKα","","0.0634","0.0338","","","0.0805","0.0868","","","","","","0.954","","","","has coordinates","232374","2020-10-21","18:00:00",""
"4347551","14.0785","0.0008","14.2423","0.0008","27.2243","0.0013","76.5","0.002","88.452","0.002","74.831","0.002","5119.6","0.5","293","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H81.4 N8 Ni4 O14.43 S8 -","- C104 H78 N8 Ni4 O14.444 S8 -","- C208 H156 N16 Ni8 O28.888 S16 -","2","1","","Raj, Pushap; Singh, Amanpreet; Kaur, Kamalpreet; Aree, Thammarat; Singh, Ajnesh; Singh, Narinder","Fluorescent Chemosensors for Selective and Sensitive Detection of Phosmet/Chlorpyrifos with Octahedral Ni(2+) Complexes.","Inorganic chemistry","2016","55","10","4874","4883","10.1021/acs.inorgchem.6b00332","","","0.71073","MoKα","","0.1424","0.0567","","","0.0973","0.1124","","","","","","0.971","","","","has coordinates,has disorder","232375","2020-10-21","18:00:00",""
"4347552","13.7815","0.0017","13.8543","0.0018","27.356","0.004","90","","97.566","0.004","90","","5177.7","1.2","290","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N4 Ni O8 S2 -","- C26 H18 N4 Ni O8 S2 -","- C208 H144 N32 Ni8 O64 S16 -","8","2","","Raj, Pushap; Singh, Amanpreet; Kaur, Kamalpreet; Aree, Thammarat; Singh, Ajnesh; Singh, Narinder","Fluorescent Chemosensors for Selective and Sensitive Detection of Phosmet/Chlorpyrifos with Octahedral Ni(2+) Complexes.","Inorganic chemistry","2016","55","10","4874","4883","10.1021/acs.inorgchem.6b00332","","","0.71073","MoKα","","0.1461","0.0772","","","0.1411","0.1572","","","","","","1.025","","","","has coordinates,has disorder","232376","2020-10-21","18:00:00",""
"4347553","10.293","0.005","16.785","0.005","11.494","0.005","90","","109.527","0.005","90","","1871.6","1.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H30 I4 O2 P2 Sn -","- C36 H30 I4 O2 P2 Sn -","- C72 H60 I8 O4 P4 Sn2 -","2","1","","Wlaźlak, Ewelina; Macyk, Wojciech; Nitek, Wojciech; Szaciłowski, Konrad","Influence of π-Iodide Intermolecular Interactions on Electronic Properties of Tin(IV) Iodide Semiconducting Complexes.","Inorganic chemistry","2016","55","12","5935","5945","10.1021/acs.inorgchem.6b00336","","","0.71069","MoKα","","0.0294","0.0249","","","0.0398","0.0418","","","","","","1.016","","","","has coordinates","232377","2020-10-21","18:00:00",""
"4347554","7.393","0.005","7.96","0.005","17.606","0.005","97.297","0.005","94.306","0.005","117.289","0.005","902.8","0.9","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 I4 N2 O2 Sn -","- C10 H10 I4 N2 O2 Sn -","- C20 H20 I8 N4 O4 Sn2 -","2","1","","Wlaźlak, Ewelina; Macyk, Wojciech; Nitek, Wojciech; Szaciłowski, Konrad","Influence of π-Iodide Intermolecular Interactions on Electronic Properties of Tin(IV) Iodide Semiconducting Complexes.","Inorganic chemistry","2016","55","12","5935","5945","10.1021/acs.inorgchem.6b00336","","x-ray","0.71069","MoKα","","0.044","0.0301","","","0.0513","0.058","","","","","","1.023","","","","has coordinates","232378","2020-10-21","18:00:00",""
"4347555","21.11","0.0001","9.056","0.0002","15.313","0.0002","90","","90","","90","","2927.42","0.08","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","Compound X","","","- C24 H20 I4 O2 S2 Sn -","- C24 H20 I4 O2 S2 Sn -","- C96 H80 I16 O8 S8 Sn4 -","4","1","","Wlaźlak, Ewelina; Macyk, Wojciech; Nitek, Wojciech; Szaciłowski, Konrad","Influence of π-Iodide Intermolecular Interactions on Electronic Properties of Tin(IV) Iodide Semiconducting Complexes.","Inorganic chemistry","2016","55","12","5935","5945","10.1021/acs.inorgchem.6b00336","","","0.71073","MoKα","","0.0372","0.0366","","","0.0963","0.0971","","","","97.481","97.481","1.065","","","","has coordinates","232379","2020-10-21","18:00:00",""
"4347556","12.7319","0.0006","9.7137","0.0005","16.9532","0.0008","90","","94.6924","0.001","90","","2089.64","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Plutonium(IV) Formohydroxamate","","","- C8 H16 N8 O16 Pu2 -","- C8 H16 N8 O16 Pu2 -","- C32 H64 N32 O64 Pu8 -","4","0.5","","Silver, Mark A.; Cary, Samantha K.; Stritzinger, Jared T.; Parker, T. Gannon; Maron, Laurent; Albrecht-Schmitt, Thomas E","Covalency-Driven Dimerization of Plutonium(IV) in a Hydroxamate Complex.","Inorganic chemistry","2016","55","11","5092","5094","10.1021/acs.inorgchem.6b00340","","","0.71073","MoKα","","0.021","0.0165","","","0.0354","0.0364","","","","","","1.085","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347557","5.7104","0.0007","7.3062","0.0008","8.2087","0.0012","109.754","0.015","101.386","0.016","97.169","0.014","309.1","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 F6 N2 O2 -","- C10 H10 F6 N2 O2 -","- C10 H10 F6 N2 O2 -","1","0.5","","Schläfer, J; Graf, D.; Fornalczyk, G.; Mettenbörger, A; Mathur, S.","Fluorinated Cerium(IV) Enaminolates: Alternative Precursors for Chemical Vapor Deposition of CeO2 Thin Films.","Inorganic chemistry","2016","55","11","5422","5429","10.1021/acs.inorgchem.6b00348","","","0.71073","MoKα","","0.0611","0.0419","","","0.1056","0.112","","","","","","0.992","","","","has coordinates","232381","2020-10-21","18:00:00",""
"4347558","13.329","0.004","6.542","0.005","17.975","0.006","90","","94.41","0.04","90","","1562.7","1.4","170","2","170","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C12 H10 F10 N2 O2 -","- C12 H10 F10 N2 O2 -","- C48 H40 F40 N8 O8 -","4","0.5","","Schläfer, J; Graf, D.; Fornalczyk, G.; Mettenbörger, A; Mathur, S.","Fluorinated Cerium(IV) Enaminolates: Alternative Precursors for Chemical Vapor Deposition of CeO2 Thin Films.","Inorganic chemistry","2016","55","11","5422","5429","10.1021/acs.inorgchem.6b00348","","","0.71073","MoKα","","0.044","0.0349","","","0.0878","0.0946","","","","","","1.066","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347559","11.343","0.005","13.833","0.005","9.061","0.005","90","","110.025","0.005","90","","1335.8","1.1","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C20 H16 Ce F12 N4 O4 -","- C20 H16 Ce F12 N4 O4 -","- C40 H32 Ce2 F24 N8 O8 -","2","1","","Schläfer, J; Graf, D.; Fornalczyk, G.; Mettenbörger, A; Mathur, S.","Fluorinated Cerium(IV) Enaminolates: Alternative Precursors for Chemical Vapor Deposition of CeO2 Thin Films.","Inorganic chemistry","2016","55","11","5422","5429","10.1021/acs.inorgchem.6b00348","","","0.71073","MoKα","","0.0775","0.0708","","","0.175","0.1819","","","","","","0.993","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347560","15.814","0.005","10.652","0.005","19.012","0.005","90","0.005","91.656","0.005","90","0.005","3201","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ce F20 N4 O4 -","- C24 H16 Ce F20 N4 O4 -","- C96 H64 Ce4 F80 N16 O16 -","4","1","","Schläfer, J; Graf, D.; Fornalczyk, G.; Mettenbörger, A; Mathur, S.","Fluorinated Cerium(IV) Enaminolates: Alternative Precursors for Chemical Vapor Deposition of CeO2 Thin Films.","Inorganic chemistry","2016","55","11","5422","5429","10.1021/acs.inorgchem.6b00348","","","0.71073","MoKα","","0.046","0.0361","","","0.0913","0.1014","","","","","","1.046","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347561","10.05","0.005","13.882","0.005","14.422","0.005","102.131","0.005","107.985","0.005","90.183","0.005","1866","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Ce F28 N4 O4 -","- C28 H16 Ce F28 N4 O4 -","- C56 H32 Ce2 F56 N8 O8 -","2","1","","Schläfer, J; Graf, D.; Fornalczyk, G.; Mettenbörger, A; Mathur, S.","Fluorinated Cerium(IV) Enaminolates: Alternative Precursors for Chemical Vapor Deposition of CeO2 Thin Films.","Inorganic chemistry","2016","55","11","5422","5429","10.1021/acs.inorgchem.6b00348","","","0.71073","MoKα","","0.0426","0.0317","","","0.0757","0.0861","","","","","","1.088","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347562","15.2366","0.001","15.2366","0.001","16.4081","0.0011","90","","90","","120","","3298.9","0.4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H24 Ge Si4 -","- C18 H24 Ge Si4 -","- C108 H144 Ge6 Si24 -","6","0.333333","","Stueger, Harald; Christopoulos, Viktor; Temmel, Andrea; Haas, Michael; Fischer, Roland; Torvisco, Ana; Wunnicke, Odo; Traut, Stephan; Martens, Susanne","Selective Synthesis and Derivatization of Germasilicon Hydrides.","Inorganic chemistry","2016","55","8","4034","4038","10.1021/acs.inorgchem.6b00349","","","0.71073","MoKα","","0.0357","0.0265","","","0.0592","0.0633","","","","","","1.002","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347563","20.0813","0.0008","10.3595","0.0004","18.0204","0.0007","90","","112.296","0.001","90","","3468.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Ge2 Si3 -","- C36 H36 Ge2 Si3 -","- C144 H144 Ge8 Si12 -","4","1","","Stueger, Harald; Christopoulos, Viktor; Temmel, Andrea; Haas, Michael; Fischer, Roland; Torvisco, Ana; Wunnicke, Odo; Traut, Stephan; Martens, Susanne","Selective Synthesis and Derivatization of Germasilicon Hydrides.","Inorganic chemistry","2016","55","8","4034","4038","10.1021/acs.inorgchem.6b00349","","","0.71073","MoKα","","0.0423","0.0333","","","0.0804","0.0847","","","","","","1.067","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347564","9.045","0.003","9.259","0.003","11.537","0.003","105.222","0.003","96.81","0.003","114.703","0.0018","817.7","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H46 Fe2 N4 S2 Si4 -","- C22 H46 Fe2 N4 S2 Si4 -","- C22 H46 Fe2 N4 S2 Si4 -","1","0.5","","Tanifuji, Kazuki; Tajima, Shunichi; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Interconversion between [Fe4S4] and [Fe2S2] Clusters Bearing Amide Ligands.","Inorganic chemistry","2016","55","9","4512","4518","10.1021/acs.inorgchem.6b00352","","","0.71075","MoKα","","","0.0269","","","","0.0723","","","","","","1.056","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347565","22.876","0.007","11.048","0.003","14.488","0.004","90","","92.495","0.004","90","","3658.1","1.8","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H50 Fe2 N4 O2 S2 Si4 -","- C24 H50 Fe2 N4 O2 S2 Si4 -","- C96 H200 Fe8 N16 O8 S8 Si16 -","4","0.5","","Tanifuji, Kazuki; Tajima, Shunichi; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Interconversion between [Fe4S4] and [Fe2S2] Clusters Bearing Amide Ligands.","Inorganic chemistry","2016","55","9","4512","4518","10.1021/acs.inorgchem.6b00352","","","0.71075","MoKα","","","0.0408","","","","0.1075","","","","","","1.119","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347566","9.016","0.005","9.904","0.006","12.038","0.007","108.444","0.004","99.449","0.003","109.722","0.007","914.6","0.9","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H50 Fe2 N4 S2 Si4 -","- C24 H50 Fe2 N4 S2 Si4 -","- C24 H50 Fe2 N4 S2 Si4 -","1","0.5","","Tanifuji, Kazuki; Tajima, Shunichi; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Interconversion between [Fe4S4] and [Fe2S2] Clusters Bearing Amide Ligands.","Inorganic chemistry","2016","55","9","4512","4518","10.1021/acs.inorgchem.6b00352","","","0.71075","MoKα","","","0.0402","","","","0.1148","","","","","","1.027","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347567","22.728","0.005","12.711","0.003","13.008","0.003","90","","91.283","0.004","90","","3757","1.5","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 F6 Fe2 N4 S2 Si4 -","- C24 H44 F6 Fe2 N4 S2 Si4 -","- C96 H176 F24 Fe8 N16 S8 Si16 -","4","1","","Tanifuji, Kazuki; Tajima, Shunichi; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Interconversion between [Fe4S4] and [Fe2S2] Clusters Bearing Amide Ligands.","Inorganic chemistry","2016","55","9","4512","4518","10.1021/acs.inorgchem.6b00352","","","0.71075","MoKα","","","0.0488","","","","0.1504","","","","","","1.009","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347568","8.918","0.003","9.868","0.004","12.062","0.005","108.984","0.0018","94.95","0.004","115.36","0.003","874.8","0.6","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H50 Fe2 N4 S2 Si4 -","- C24 H50 Fe2 N4 S2 Si4 -","- C24 H50 Fe2 N4 S2 Si4 -","1","0.5","","Tanifuji, Kazuki; Tajima, Shunichi; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Interconversion between [Fe4S4] and [Fe2S2] Clusters Bearing Amide Ligands.","Inorganic chemistry","2016","55","9","4512","4518","10.1021/acs.inorgchem.6b00352","","","0.71075","MoKα","","","0.0328","","","","0.0936","","","","","","1.065","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347569","8.713","0.006","8.79","0.007","12.777","0.008","103.212","0.01","93.832","0.009","110.486","0.007","880.8","1.1","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H44 Br2 Fe2 N4 S2 Si4 -","- C22 H44 Br2 Fe2 N4 S2 Si4 -","- C22 H44 Br2 Fe2 N4 S2 Si4 -","1","0.5","","Tanifuji, Kazuki; Tajima, Shunichi; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Interconversion between [Fe4S4] and [Fe2S2] Clusters Bearing Amide Ligands.","Inorganic chemistry","2016","55","9","4512","4518","10.1021/acs.inorgchem.6b00352","","","0.71075","MoKα","","","0.0388","","","","0.1039","","","","","","1.023","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347570","14.492","0.002","17.789","0.003","23.398","0.004","90","","90","","90","","6032","1.7","173","","173","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C33.3 H77 Fe4 N5.3 Na O0.7 S4 Si8 -","- C33.3 H77 Fe4 N5.3 Na O0.7 S4 Si8 -","- C133.2 H308 Fe16 N21.2 Na4 O2.8 S16 Si32 -","4","1","","Tanifuji, Kazuki; Tajima, Shunichi; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Interconversion between [Fe4S4] and [Fe2S2] Clusters Bearing Amide Ligands.","Inorganic chemistry","2016","55","9","4512","4518","10.1021/acs.inorgchem.6b00352","","","0.71075","MoKα","","","0.0645","","","","0.186","","","","","","0.989","","","","has coordinates","232383","2020-10-21","18:00:00",""
"4347571","12.371","0.003","24.482","0.005","23.672","0.004","90","","104.827","0.003","90","","6931","2","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H76 Fe4 N6 Na2 O2 S4 Si8 -","- C42 H76 Fe4 N6 Na2 O2 S4 Si8 -","- C168 H304 Fe16 N24 Na8 O8 S16 Si32 -","4","1","","Tanifuji, Kazuki; Tajima, Shunichi; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Interconversion between [Fe4S4] and [Fe2S2] Clusters Bearing Amide Ligands.","Inorganic chemistry","2016","55","9","4512","4518","10.1021/acs.inorgchem.6b00352","","","0.71075","MoKα","","","0.066","","","","0.2005","","","","","","1.069","","","","has coordinates","232383","2020-10-21","18:00:00",""
"4347572","10.224","0.002","13.229","0.003","16.189","0.004","90","","103.301","0.003","90","","2130.9","0.8","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H5 B F15 N -","- C23 H5 B F15 N -","- C92 H20 B4 F60 N4 -","4","1","","Tanifuji, Kazuki; Tajima, Shunichi; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Interconversion between [Fe4S4] and [Fe2S2] Clusters Bearing Amide Ligands.","Inorganic chemistry","2016","55","9","4512","4518","10.1021/acs.inorgchem.6b00352","","","0.71075","MoKα","","","0.0414","","","","0.1229","","","","","","0.89","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347573","7.609","0.003","8.283","0.003","13.493","0.007","75.61","0.02","89.52","0.03","63.74","0.02","733.6","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Br2 Fe N5 S -","- C12 H8 Br2 Fe N5 S -","- C24 H16 Br4 Fe2 N10 S2 -","2","1","","Harriman, Katie L. M.; Kühne, Irina A; Leitch, Alicea A.; Korobkov, Ilia; Clérac, Rodolphe; Murugesu, Muralee; Brusso, Jaclyn L.","Halide Influence on Molecular and Supramolecular Arrangements of Iron Complexes with a 3,5-Bis(2-Pyridyl)-1,2,4,6-Thiatriazine Ligand.","Inorganic chemistry","2016","55","11","5375","5383","10.1021/acs.inorgchem.6b00357","","","0.71073","MoKα","","0.1721","0.1171","","","0.2643","0.2985","","","","","","1.09","","","","has coordinates","232384","2020-10-21","18:00:00",""
"4347574","13.8328","0.0013","13.7235","0.0014","7.5214","0.0007","90","","104.868","0.005","90","","1380","0.2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F2 Fe N5 O S -","- C12 H8 F2 Fe N5 O S -","- C48 H32 F8 Fe4 N20 O4 S4 -","4","1","","Harriman, Katie L. M.; Kühne, Irina A; Leitch, Alicea A.; Korobkov, Ilia; Clérac, Rodolphe; Murugesu, Muralee; Brusso, Jaclyn L.","Halide Influence on Molecular and Supramolecular Arrangements of Iron Complexes with a 3,5-Bis(2-Pyridyl)-1,2,4,6-Thiatriazine Ligand.","Inorganic chemistry","2016","55","11","5375","5383","10.1021/acs.inorgchem.6b00357","","","0.71073","MoKα","","0.1327","0.078","","","0.1877","0.2158","","","","","","1.088","","","","has coordinates","232385","2020-10-21","18:00:00",""
"4347575","21.841","0.002","12.0898","0.0012","12.36","0.0012","90","","99.878","0.002","90","","3215.3","0.5","90","","90","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H48 Cl2 N4 O3 Zn2 -","- C29 H48 Cl2 N4 O3 Zn2 -","- C116 H192 Cl8 N16 O12 Zn8 -","4","1","","Kremer, Alexandre B.; Osten, Kimberly M.; Yu, Insun; Ebrahimi, Tannaz; Aluthge, Dinesh C.; Mehrkhodavandi, Parisa","Dinucleating Ligand Platforms Supporting Indium and Zinc Catalysts for Cyclic Ester Polymerization.","Inorganic chemistry","2016","55","11","5365","5374","10.1021/acs.inorgchem.6b00358","","","0.71073","MoKα","","0.0255","0.022","","","0.0518","0.0531","","","","","","1.033","","","","has coordinates","232386","2020-10-21","18:00:00",""
"4347576","11.307","0.005","18.369","0.005","22.01","0.005","84.491","0.005","83.099","0.005","83.917","0.005","4497","3","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C68.57 H112.86 Cl8 In4 N8 O4 -","- C68.57 H112.878 Cl8 In4 N8 O4 -","- C137.14 H225.756 Cl16 In8 N16 O8 -","2","1","","Kremer, Alexandre B.; Osten, Kimberly M.; Yu, Insun; Ebrahimi, Tannaz; Aluthge, Dinesh C.; Mehrkhodavandi, Parisa","Dinucleating Ligand Platforms Supporting Indium and Zinc Catalysts for Cyclic Ester Polymerization.","Inorganic chemistry","2016","55","11","5365","5374","10.1021/acs.inorgchem.6b00358","","","0.71069","MoKα","","0.1027","0.0571","","","0.1193","0.144","","","","","","1.021","","","","has coordinates,has disorder","232386","2020-10-21","18:00:00",""
"4347577","15.31","0.002","11.246","0.0017","19.389","0.003","90","","104.472","0.004","90","","3232.4","0.8","90","2","90.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H45 Cl4 In2 N5 O2 -","- C24 H45 Cl4 In2 N5 O2 -","- C96 H180 Cl16 In8 N20 O8 -","4","1","","Kremer, Alexandre B.; Osten, Kimberly M.; Yu, Insun; Ebrahimi, Tannaz; Aluthge, Dinesh C.; Mehrkhodavandi, Parisa","Dinucleating Ligand Platforms Supporting Indium and Zinc Catalysts for Cyclic Ester Polymerization.","Inorganic chemistry","2016","55","11","5365","5374","10.1021/acs.inorgchem.6b00358","","","0.71069","MoKα","","0.0694","0.0355","","","0.0602","0.0682","","","","","","1","","","","has coordinates","232386","2020-10-21","18:00:00",""
"4347578","11.1516","0.0011","11.3564","0.0011","45.652","0.004","90","","90","","90","","5781.5","0.9","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 Cl3 N4 O Zn2 -","- C25 H39 Cl3 N4 O Zn2 -","- C200 H312 Cl24 N32 O8 Zn16 -","8","2","","Kremer, Alexandre B.; Osten, Kimberly M.; Yu, Insun; Ebrahimi, Tannaz; Aluthge, Dinesh C.; Mehrkhodavandi, Parisa","Dinucleating Ligand Platforms Supporting Indium and Zinc Catalysts for Cyclic Ester Polymerization.","Inorganic chemistry","2016","55","11","5365","5374","10.1021/acs.inorgchem.6b00358","","","0.71073","MoKα","","0.0746","0.0514","","","0.0823","0.0865","","","","","","1.083","","","","has coordinates","232386","2020-10-21","18:00:00",""
"4347579","9.6695","0.001","13.0329","0.0013","18.2092","0.0019","107.933","0.002","92.617","0.002","97.399","0.002","2156.2","0.4","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H48 Cl4 In2 N4 O2 -","- C27 H48 Cl4 In2 N4 O2 -","- C54 H96 Cl8 In4 N8 O4 -","2","1","","Kremer, Alexandre B.; Osten, Kimberly M.; Yu, Insun; Ebrahimi, Tannaz; Aluthge, Dinesh C.; Mehrkhodavandi, Parisa","Dinucleating Ligand Platforms Supporting Indium and Zinc Catalysts for Cyclic Ester Polymerization.","Inorganic chemistry","2016","55","11","5365","5374","10.1021/acs.inorgchem.6b00358","","","0.71073","MoKα","","0.0284","0.0259","","","0.0638","0.0656","","","","","","1.13","","","","has coordinates,has disorder","232386","2020-10-21","18:00:00",""
"4347580","7.7795","0.0004","7.7876","0.0004","13.3463","0.0007","104.901","0.001","95.047","0.001","92.463","0.001","776.54","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 Cl4 F12 N4 Ru -","- C24 H17 Cl4 F12 N4 Ru -","- C24 H17 Cl4 F12 N4 Ru -","1","0.5","","Chang, Stephanie W.; Lewis, Andrew R.; Prosser, Kathleen E.; Thompson, John R.; Gladkikh, Margarita; Bally, Marcel B.; Warren, Jeffrey J.; Walsby, Charles J.","CF3 Derivatives of the Anticancer Ru(III) Complexes KP1019, NKP-1339, and Their Imidazole and Pyridine Analogues Show Enhanced Lipophilicity, Albumin Interactions, and Cytotoxicity.","Inorganic chemistry","2016","55","10","4850","4863","10.1021/acs.inorgchem.6b00359","","","0.71073","MoKα","","0.037","0.0321","","","0.0816","0.0878","","","","","","1.082","","","","has coordinates,has disorder","232387","2020-10-21","18:00:00",""
"4347581","10.9244","0.0012","12.2867","0.0014","14.6192","0.0016","66.278","0.0016","84.027","0.0017","89","0.0018","1786.1","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H26 Cl4 F6 N4 P Ru -","- C32 H26 Cl4 F6 N4 P Ru -","- C64 H52 Cl8 F12 N8 P2 Ru2 -","2","1","","Chang, Stephanie W.; Lewis, Andrew R.; Prosser, Kathleen E.; Thompson, John R.; Gladkikh, Margarita; Bally, Marcel B.; Warren, Jeffrey J.; Walsby, Charles J.","CF3 Derivatives of the Anticancer Ru(III) Complexes KP1019, NKP-1339, and Their Imidazole and Pyridine Analogues Show Enhanced Lipophilicity, Albumin Interactions, and Cytotoxicity.","Inorganic chemistry","2016","55","10","4850","4863","10.1021/acs.inorgchem.6b00359","","","0.71073","MoKα","","0.0524","0.0431","","","0.1176","0.126","","","","","","1.044","","","","has coordinates,has disorder","232387","2020-10-21","18:00:00",""
"4347582","13.9152","0.0006","14.757","0.0006","15.9237","0.0006","116.342","0.001","94.334","0.001","105.274","0.001","2755.9","0.2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C107 H86 Cl8 F12 N10 O P4 Ru2 -","- C107 H86 Cl8 F12 N10 O P4 Ru2 -","- C107 H86 Cl8 F12 N10 O P4 Ru2 -","1","0.5","","Chang, Stephanie W.; Lewis, Andrew R.; Prosser, Kathleen E.; Thompson, John R.; Gladkikh, Margarita; Bally, Marcel B.; Warren, Jeffrey J.; Walsby, Charles J.","CF3 Derivatives of the Anticancer Ru(III) Complexes KP1019, NKP-1339, and Their Imidazole and Pyridine Analogues Show Enhanced Lipophilicity, Albumin Interactions, and Cytotoxicity.","Inorganic chemistry","2016","55","10","4850","4863","10.1021/acs.inorgchem.6b00359","","","0.71073","MoKα","","0.0858","0.0491","","","0.1363","0.163","","","","","","1.007","","","","has coordinates,has disorder","232387","2020-10-21","18:00:00",""
"4347583","13.339","0.0017","16.241","0.003","17.767","0.003","109.263","0.01","90.811","0.01","101.45","0.01","3548","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H36 Cl4 N4 O2 Pt2 S4 -","- C27 H36 Cl4 N4 O2 Pt2 S4 -","- C108 H144 Cl16 N16 O8 Pt8 S16 -","4","2","","Presa, Andreu; Barrios, Leoní; Cirera, Jordi; Korrodi-Gregório, Luís; Pérez-Tomás, Ricardo; Teat, Simon J.; Gamez, Patrick","Non-Switching 1,2-Dithienylethene-based Diplatinum(II) Complex Showing High Cytotoxicity.","Inorganic chemistry","2016","55","11","5356","5364","10.1021/acs.inorgchem.6b00362","","","0.7749","synchrotron","","0.1513","0.1163","","","0.3008","0.3369","","","","","","1.04","","","","has coordinates","232388","2020-10-21","18:00:00",""
"4347584","19.1704","0.0008","19.1269","0.0008","14.7424","0.0006","90","","94.854","0.002","90","","5386.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","BSA-53","","","- C20 H40 Cl Co F6 N P3 -","- C20 H40 Cl Co F6 N P3 -","- C160 H320 Cl8 Co8 F48 N8 P24 -","8","2","","Lagaditis, Paraskevi O.; Schluschaß, Bastian; Demeshko, Serhiy; Würtele, Christian; Schneider, Sven","Square-Planar Cobalt(III) Pincer Complex.","Inorganic chemistry","2016","55","9","4529","4536","10.1021/acs.inorgchem.6b00369","","","0.71073","MoKα","","0.0388","0.0284","","","0.0603","0.0671","","","","","","1.111","","","","has coordinates","232389","2020-10-21","18:00:00",""
"4347585","12.1068","0.0009","14.3168","0.0011","14.3964","0.0011","90","","104.355","0.002","90","","2417.4","0.3","104","2","104","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","BS-A114","","","- C21 H44 Co N O P2 -","- C21 H44 Co N O P2 -","- C84 H176 Co4 N4 O4 P8 -","4","1","","Lagaditis, Paraskevi O.; Schluschaß, Bastian; Demeshko, Serhiy; Würtele, Christian; Schneider, Sven","Square-Planar Cobalt(III) Pincer Complex.","Inorganic chemistry","2016","55","9","4529","4536","10.1021/acs.inorgchem.6b00369","","","0.71073","MoKα","","0.0731","0.0486","","","0.0853","0.0918","","","","","","1.117","","","","has coordinates","232390","2020-10-21","18:00:00",""
"4347586","7.0747","0.0002","14.7836","0.0005","12.4276","0.0004","90","","91.112","0.002","90","","1299.55","0.07","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","pvib192B","","","- C20 H45 Cl2 Co N P2 -","- C20 H45 Cl2 Co N P2 -","- C40 H90 Cl4 Co2 N2 P4 -","2","1","","Lagaditis, Paraskevi O.; Schluschaß, Bastian; Demeshko, Serhiy; Würtele, Christian; Schneider, Sven","Square-Planar Cobalt(III) Pincer Complex.","Inorganic chemistry","2016","55","9","4529","4536","10.1021/acs.inorgchem.6b00369","","","0.71073","MoKα","","0.0402","0.0282","","","0.0483","0.051","","","","","","1.02","","","","has coordinates","232391","2020-10-21","18:00:00",""
"4347587","12.1821","0.0006","14.182","0.0006","14.4863","0.0007","90","","104.471","0.002","90","","2423.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","pvlb1-167","","","- C20 H44 Cl Co N P2 -","- C20 H44 Cl Co N P2 -","- C80 H176 Cl4 Co4 N4 P8 -","4","1","","Lagaditis, Paraskevi O.; Schluschaß, Bastian; Demeshko, Serhiy; Würtele, Christian; Schneider, Sven","Square-Planar Cobalt(III) Pincer Complex.","Inorganic chemistry","2016","55","9","4529","4536","10.1021/acs.inorgchem.6b00369","","","0.71073","MoKα","","0.0699","0.0372","","","0.0664","0.076","","","","","","1.041","","","","has coordinates","232392","2020-10-21","18:00:00",""
"4347588","11.4745","0.0004","8.357","0.0003","13.5663","0.0006","90","","114.23","0.003","90","","1186.3","0.08","133","2","133","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H40 Cl Co N P2 -","- C20 H40 Cl Co N P2 -","- C40 H80 Cl2 Co2 N2 P4 -","2","0.5","","Lagaditis, Paraskevi O.; Schluschaß, Bastian; Demeshko, Serhiy; Würtele, Christian; Schneider, Sven","Square-Planar Cobalt(III) Pincer Complex.","Inorganic chemistry","2016","55","9","4529","4536","10.1021/acs.inorgchem.6b00369","","","0.71073","MoKα","","0.0448","0.0328","","","0.072","0.0756","","","","","","1.008","","","","has coordinates","232393","2020-10-21","18:00:00",""
"4347589","13.8511","0.0006","13.8909","0.0007","16.2469","0.0008","113.737","0.002","109.182","0.002","90.202","0.002","2669.1","0.2","101","2","101","2","","","","","","","","8","P -1","-P 1","2","BS-A_075","","","- C20 H41 B Cl Co F4 N P2 -","- C20 H41 B Cl Co F4 N P2 -","- C80 H164 B4 Cl4 Co4 F16 N4 P8 -","4","2","","Lagaditis, Paraskevi O.; Schluschaß, Bastian; Demeshko, Serhiy; Würtele, Christian; Schneider, Sven","Square-Planar Cobalt(III) Pincer Complex.","Inorganic chemistry","2016","55","9","4529","4536","10.1021/acs.inorgchem.6b00369","","","0.71073","MoKα","","0.0889","0.0668","","","0.1395","0.1495","","","","","","1.156","","","","has coordinates","232394","2020-10-21","18:00:00",""
"4347590","8.3107","0.0011","20.977","0.003","14.3233","0.0016","90","","107.679","0.007","90","","2379.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H42 Cl Co N P2 -","- C20 H42 Cl Co N P2 -","- C80 H168 Cl4 Co4 N4 P8 -","4","1","","Lagaditis, Paraskevi O.; Schluschaß, Bastian; Demeshko, Serhiy; Würtele, Christian; Schneider, Sven","Square-Planar Cobalt(III) Pincer Complex.","Inorganic chemistry","2016","55","9","4529","4536","10.1021/acs.inorgchem.6b00369","","","0.56086","AgKα","","0.0534","0.0326","","","0.0774","0.0851","","","","","","0.956","","","","has coordinates","232395","2020-10-21","18:00:00",""
"4347591","29.0335","0.0009","14.0241","0.0004","14.3063","0.0005","90","","112.5","0.002","90","","5381.7","0.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","BS-A-074","","","- C20 H45 B Cl Co F4 N P2 -","- C20 H45 B Cl Co F4 N P2 -","- C160 H360 B8 Cl8 Co8 F32 N8 P16 -","8","1","","Lagaditis, Paraskevi O.; Schluschaß, Bastian; Demeshko, Serhiy; Würtele, Christian; Schneider, Sven","Square-Planar Cobalt(III) Pincer Complex.","Inorganic chemistry","2016","55","9","4529","4536","10.1021/acs.inorgchem.6b00369","","","0.71073","MoKα","","0.0444","0.0314","","","0.0655","0.0698","","","","","","1.017","","","","has coordinates","232396","2020-10-21","18:00:00",""
"4347592","16.3674","0.0012","27.1222","0.0019","34.577","0.003","90","","120.171","0.011","90","","13270","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C144 H96 N24 O20 Re6 -","- C144 H96 N24 O20 Re6 -","- C576 H384 N96 O80 Re24 -","4","1","","Shankar, Bhaskaran; Marimuthu, Rajendiran; Deval Sathiyashivan, Shankar; Sathiyendiran, Malaichamy","Spheroid Metallacycles and Metallocavitands with Calixarene- and/or Cleft-Shaped Receptors on the Surface.","Inorganic chemistry","2016","55","9","4537","4544","10.1021/acs.inorgchem.6b00371","","","1.54184","CuKα","","0.213","0.1145","","","0.2697","0.3655","","","","","","0.85","","","","has coordinates","232397","2020-10-21","18:00:00",""
"4347593","14.609","0.004","15.011","0.004","16.039","0.005","107.27","0.005","91.454","0.005","105.883","0.005","3208.6","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H96 N24 O24 Re6 -","- C126 H96 N24 O24 Re6 -","- C126 H96 N24 O24 Re6 -","1","0.5","","Shankar, Bhaskaran; Marimuthu, Rajendiran; Deval Sathiyashivan, Shankar; Sathiyendiran, Malaichamy","Spheroid Metallacycles and Metallocavitands with Calixarene- and/or Cleft-Shaped Receptors on the Surface.","Inorganic chemistry","2016","55","9","4537","4544","10.1021/acs.inorgchem.6b00371","","","0.71073","MoKα","","0.0652","0.0447","","","0.1096","0.1187","","","","","","0.985","","","","has coordinates","232397","2020-10-21","18:00:00",""
"4347594","18.1372","0.0015","25.086","0.002","33.454","0.003","90","","102.118","0.001","90","","14882","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C169 H104 N24 O18 Re6 -","- C169 H104 N24 O18 Re6 -","- C676 H416 N96 O72 Re24 -","4","1","","Shankar, Bhaskaran; Marimuthu, Rajendiran; Deval Sathiyashivan, Shankar; Sathiyendiran, Malaichamy","Spheroid Metallacycles and Metallocavitands with Calixarene- and/or Cleft-Shaped Receptors on the Surface.","Inorganic chemistry","2016","55","9","4537","4544","10.1021/acs.inorgchem.6b00371","","","0.71073","MoKα","","0.1058","0.0714","","","0.1676","0.1835","","","","","","1.04","","","","has coordinates","232397","2020-10-21","18:00:00",""
"4347595","15.6048","0.0013","15.9121","0.0013","16.8834","0.0014","114.305","0.001","94.371","0.001","98.548","0.001","3734.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H108 N24 O20 Re6 -","- C144 H108 N24 O20 Re6 -","- C144 H108 N24 O20 Re6 -","1","0.5","","Shankar, Bhaskaran; Marimuthu, Rajendiran; Deval Sathiyashivan, Shankar; Sathiyendiran, Malaichamy","Spheroid Metallacycles and Metallocavitands with Calixarene- and/or Cleft-Shaped Receptors on the Surface.","Inorganic chemistry","2016","55","9","4537","4544","10.1021/acs.inorgchem.6b00371","","","0.71073","MoKα","","0.062","0.0455","","","0.0948","0.1006","","","","","","1.01","","","","has coordinates","232397","2020-10-21","18:00:00",""
"4347596","28.127","0.004","19.365","0.003","28.965","0.004","90","","108.018","0.002","90","","15003","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C162 H108 N24 O18 Re6 -","- C162 H108 N24 O18 Re6 -","- C648 H432 N96 O72 Re24 -","4","0.5","","Shankar, Bhaskaran; Marimuthu, Rajendiran; Deval Sathiyashivan, Shankar; Sathiyendiran, Malaichamy","Spheroid Metallacycles and Metallocavitands with Calixarene- and/or Cleft-Shaped Receptors on the Surface.","Inorganic chemistry","2016","55","9","4537","4544","10.1021/acs.inorgchem.6b00371","","","0.71073","MoKα","","0.078","0.0584","","","0.1294","0.1396","","","","","","1.057","","","","has coordinates","232397","2020-10-21","18:00:00",""
"4347597","9.5554","0.0003","25.465","0.0009","5.6861","0.0001","90","","90","","90","","1383.59","0.07","133","2","133.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C34 H22 Br2 Co N2 O2 -","- C34 H22 Br2 Co N2 O2 -","- C68 H44 Br4 Co2 N4 O4 -","2","0.5","","Ziegenbalg, Sven; Hornig, David; Görls, Helmar; Plass, Winfried","Cobalt(II)-Based Single-Ion Magnets with Distorted Pseudotetrahedral [N2O2] Coordination: Experimental and Theoretical Investigations.","Inorganic chemistry","2016","55","8","4047","4058","10.1021/acs.inorgchem.6b00373","","","0.71073","MoKα","","0.0268","0.0246","","","0.0521","0.0534","","","","","","1.119","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347598","9.3795","0.0002","10.3351","0.0002","20.3076","0.0004","100.131","0.001","92.952","0.001","107.721","0.001","1834.31","0.07","133","2","133.15","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H34 Cl2 Co N2 O2 -","- C47 H34 Cl2 Co N2 O2 -","- C94 H68 Cl4 Co2 N4 O4 -","2","1","","Ziegenbalg, Sven; Hornig, David; Görls, Helmar; Plass, Winfried","Cobalt(II)-Based Single-Ion Magnets with Distorted Pseudotetrahedral [N2O2] Coordination: Experimental and Theoretical Investigations.","Inorganic chemistry","2016","55","8","4047","4058","10.1021/acs.inorgchem.6b00373","","","0.71073","MoKα","","0.037","0.0334","","","0.0782","0.081","","","","","","1.067","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347599","9.5402","0.001","18.245","0.002","24.821","0.003","90","","90","","90","","4320.4","0.8","140","2","140","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H59 Cl2 N3 O Si2 Zn -","- C41 H59 Cl2 N3 O Si2 Zn -","- C164 H236 Cl8 N12 O4 Si8 Zn4 -","4","1","","Wang, Haobing; Yang, Yang; Ma, Haiyan","Exploring Steric Effects in Diastereoselective Synthesis of Chiral Aminophenolate Zinc Complexes and Stereoselective Ring-Opening Polymerization of rac-Lactide.","Inorganic chemistry","2016","55","15","7356","7372","10.1021/acs.inorgchem.6b00378","","","0.71073","MoKα","","0.0385","0.0298","","","0.0653","0.0684","","","","","","0.996","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347600","10.488","0.004","17.139","0.007","23.142","0.009","90","","97.287","0.009","90","","4126","3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H65 N3 O Si2 Zn -","- C37 H65 N3 O Si2 Zn -","- C148 H260 N12 O4 Si8 Zn4 -","4","2","","Wang, Haobing; Yang, Yang; Ma, Haiyan","Exploring Steric Effects in Diastereoselective Synthesis of Chiral Aminophenolate Zinc Complexes and Stereoselective Ring-Opening Polymerization of rac-Lactide.","Inorganic chemistry","2016","55","15","7356","7372","10.1021/acs.inorgchem.6b00378","","","0.71073","MoKα","","0.1803","0.1152","","","0.2782","0.3263","","","","","","1.016","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347601","11.4182","0.0012","11.9745","0.0013","21.951","0.002","102.393","0.002","90.695","0.002","116.379","0.002","2606.2","0.5","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H71 N3 O Si2 Zn -","- C59 H71 N3 O Si2 Zn -","- C118 H142 N6 O2 Si4 Zn2 -","2","1","","Wang, Haobing; Yang, Yang; Ma, Haiyan","Exploring Steric Effects in Diastereoselective Synthesis of Chiral Aminophenolate Zinc Complexes and Stereoselective Ring-Opening Polymerization of rac-Lactide.","Inorganic chemistry","2016","55","15","7356","7372","10.1021/acs.inorgchem.6b00378","","","0.71073","MoKα","","0.1025","0.0935","","","0.2287","0.2395","","","","","","1.214","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347602","15.123","0.002","10.8882","0.0014","16.463","0.002","90","","111.496","0.003","90","","2522.3","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H65 N3 O Si2 Zn -","- C45 H65 N3 O Si2 Zn -","- C90 H130 N6 O2 Si4 Zn2 -","2","1","","Wang, Haobing; Yang, Yang; Ma, Haiyan","Exploring Steric Effects in Diastereoselective Synthesis of Chiral Aminophenolate Zinc Complexes and Stereoselective Ring-Opening Polymerization of rac-Lactide.","Inorganic chemistry","2016","55","15","7356","7372","10.1021/acs.inorgchem.6b00378","","","0.71073","MoKα","","0.093","0.0622","","","0.1359","0.1487","","","","","","0.937","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347603","8.3865","0.0009","17.5334","0.0019","23.826","0.003","90","","90","","90","","3503.5","0.7","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H52 N2 O Zn -","- C41 H52 N2 O Zn -","- C164 H208 N8 O4 Zn4 -","4","1","","Wang, Haobing; Yang, Yang; Ma, Haiyan","Exploring Steric Effects in Diastereoselective Synthesis of Chiral Aminophenolate Zinc Complexes and Stereoselective Ring-Opening Polymerization of rac-Lactide.","Inorganic chemistry","2016","55","15","7356","7372","10.1021/acs.inorgchem.6b00378","","","0.71073","MoKα","","0.0528","0.0346","","","0.0769","0.0834","","","","","","0.992","","","","has coordinates","232401","2020-10-21","18:00:00",""
"4347604","12.2375","0.0013","16.5783","0.0018","17.4078","0.0018","90","","90","","90","","3531.6","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H47 Cl N2 O Zn -","- C39 H47 Cl N2 O Zn -","- C156 H188 Cl4 N8 O4 Zn4 -","4","1","","Wang, Haobing; Yang, Yang; Ma, Haiyan","Exploring Steric Effects in Diastereoselective Synthesis of Chiral Aminophenolate Zinc Complexes and Stereoselective Ring-Opening Polymerization of rac-Lactide.","Inorganic chemistry","2016","55","15","7356","7372","10.1021/acs.inorgchem.6b00378","","","0.71073","MoKα","","0.07","0.0395","","","0.089","0.1019","","","","","","0.974","","","","has coordinates","232401","2020-10-21","18:00:00",""
"4347605","14.16","0.005","7.271","0.005","8.982","0.005","90","0.005","108.851","0.005","90","0.005","875.2","0.8","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Ca-dhbq","","","- C6 H8 Ca O7 -","- C6 H8 Ca O7 -","- C24 H32 Ca4 O28 -","4","0.5","","Sumida, Kenji; Hu, Ming; Furukawa, Shuhei; Kitagawa, Susumu","Structuralization of Ca(2+)-Based Metal-Organic Frameworks Prepared via Coordination Replication of Calcium Carbonate.","Inorganic chemistry","2016","55","7","3700","3705","10.1021/acs.inorgchem.6b00397","","","0.71069","MoKα","","0.0712","0.052","","","0.1088","0.1187","","","","","","1.076","","","","has coordinates","232402","2020-10-21","18:00:00",""
"4347606","16.1735","0.0008","15.9616","0.0006","11.9448","0.0005","90","","101.142","0.002","90","","3025.5","0.2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cl F3 N5 O11 Ru S -","- C26 H23 Cl F3 N5 O11 Ru S -","- C104 H92 Cl4 F12 N20 O44 Ru4 S4 -","4","1","","Duan, Lele; Manbeck, Gerald F.; Kowalczyk, Marta; Szalda, David J.; Muckerman, James T.; Himeda, Yuichiro; Fujita, Etsuko","Noninnocent Proton-Responsive Ligand Facilitates Reductive Deprotonation and Hinders CO2 Reduction Catalysis in [Ru(tpy)(6DHBP)(NCCH3)](2+) (6DHBP = 6,6'-(OH)2bpy).","Inorganic chemistry","2016","55","9","4582","4594","10.1021/acs.inorgchem.6b00398","","","0.71073","MoKα","","0.0816","0.0404","","","0.0744","0.0855","","","","","","1.003","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347607","8.8906","0.0018","12.684","0.003","14.297","0.003","70.162","0.01","88.379","0.01","75.563","0.009","1465.9","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H26.5 Cl2 N5 O5.75 Ru -","- C25 H25 Cl2 N5 O5.75 Ru -","- C50 H50 Cl4 N10 O11.5 Ru2 -","2","1","","Duan, Lele; Manbeck, Gerald F.; Kowalczyk, Marta; Szalda, David J.; Muckerman, James T.; Himeda, Yuichiro; Fujita, Etsuko","Noninnocent Proton-Responsive Ligand Facilitates Reductive Deprotonation and Hinders CO2 Reduction Catalysis in [Ru(tpy)(6DHBP)(NCCH3)](2+) (6DHBP = 6,6'-(OH)2bpy).","Inorganic chemistry","2016","55","9","4582","4594","10.1021/acs.inorgchem.6b00398","","","0.71073","MoKα","","0.1125","0.0747","","","0.1765","0.1937","","","","","","1.059","","","","has coordinates","232403","2020-10-21","18:00:00",""
"4347608","25.4619","0.0008","13.4074","0.0004","17.7238","0.0006","90","","124.627","0.001","90","","4978.8","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N5 O6 Ru -","- C26 H23 N5 O6 Ru -","- C208 H184 N40 O48 Ru8 -","8","1","","Duan, Lele; Manbeck, Gerald F.; Kowalczyk, Marta; Szalda, David J.; Muckerman, James T.; Himeda, Yuichiro; Fujita, Etsuko","Noninnocent Proton-Responsive Ligand Facilitates Reductive Deprotonation and Hinders CO2 Reduction Catalysis in [Ru(tpy)(6DHBP)(NCCH3)](2+) (6DHBP = 6,6'-(OH)2bpy).","Inorganic chemistry","2016","55","9","4582","4594","10.1021/acs.inorgchem.6b00398","","","0.71073","MoKα","","0.0396","0.0262","","","0.0588","0.0639","","","","","","1.015","","","","has coordinates","232403","2020-10-21","18:00:00",""
"4347609","9.04","0.002","18.65","0.005","10.217","0.003","90","","93.598","0.003","90","","1719.2","0.8","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H20 Br8 Co N3 O5 -","- C28 H20 Br8 Co N3 O5 -","- C56 H40 Br16 Co2 N6 O10 -","2","1","","Panja, Anangamohan; Jana, Narayan Ch; Bauzá, Antonio; Frontera, Antonio; Mathonière, Corine","Solvent-Triggered Cis/Trans Isomerism in Cobalt Dioxolene Chemistry: Distinguishing Effects of Packing on Valence Tautomerism.","Inorganic chemistry","2016","55","17","8331","8340","10.1021/acs.inorgchem.6b00402","","","0.71073","MoKα","","0.052","0.0397","","","0.0894","0.0947","","","","","","0.997","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347610","11.955","0.003","15.88","0.005","11.351","0.004","90","","105.698","0.005","90","","2074.6","1.1","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H32 Br8 Co N4 O8 -","- C32 H32 Br8 Co N4 O8 -","- C64 H64 Br16 Co2 N8 O16 -","2","0.25","","Panja, Anangamohan; Jana, Narayan Ch; Bauzá, Antonio; Frontera, Antonio; Mathonière, Corine","Solvent-Triggered Cis/Trans Isomerism in Cobalt Dioxolene Chemistry: Distinguishing Effects of Packing on Valence Tautomerism.","Inorganic chemistry","2016","55","17","8331","8340","10.1021/acs.inorgchem.6b00402","","","0.71073","MoKα","","0.0749","0.0424","","","0.1017","0.1159","","","","","","1","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347611","9.391","0.004","9.421","0.004","18.77","0.009","80.467","0.006","88.41","0.007","63.66","0.006","1465.7","1.1","173","2","173","2","","","","","","","","5","P 1","P 1","1","","bis{(S)-N-phenylethyl-2-oxo-1-naphthaldiminato-κ^2^N,O}zinc(II)","","- C38 H32 N2 O2 Zn -","- C38 H32 N2 O2 Zn -","- C76 H64 N4 O4 Zn2 -","2","2","","Enamullah, Mohammed; Makhloufi, Gamall; Ahmed, Rifat; Joy, Baitul Alif; Islam, Mohammad Ariful; Padula, Daniele; Hunter, Howard; Pescitelli, Gennaro; Janiak, Christoph","Synthesis, X-ray, and Spectroscopic Study of Dissymmetric Tetrahedral Zinc(II) Complexes from Chiral Schiff Base Naphthaldiminate Ligands with Apparent Exception to the ECD Exciton Chirality.","Inorganic chemistry","2016","55","13","6449","6464","10.1021/acs.inorgchem.6b00403","","","0.71073","MoKα","","0.0712","0.0558","","","0.1253","0.1332","","","","","","1.03","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347612","9.4341","0.0016","9.4537","0.0016","18.85","0.003","88.25","0.01","80.07","0.01","63.951","0.009","1485.8","0.4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H32 N2 O2 Zn -","- C38 H32 N2 O2 Zn -","- C76 H64 N4 O4 Zn2 -","2","2","","Enamullah, Mohammed; Makhloufi, Gamall; Ahmed, Rifat; Joy, Baitul Alif; Islam, Mohammad Ariful; Padula, Daniele; Hunter, Howard; Pescitelli, Gennaro; Janiak, Christoph","Synthesis, X-ray, and Spectroscopic Study of Dissymmetric Tetrahedral Zinc(II) Complexes from Chiral Schiff Base Naphthaldiminate Ligands with Apparent Exception to the ECD Exciton Chirality.","Inorganic chemistry","2016","55","13","6449","6464","10.1021/acs.inorgchem.6b00403","","","0.71073","MoKα","","0.0606","0.0431","","","0.0813","0.089","","","","","","1.011","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347613","12.0424","0.0008","18.9648","0.0013","15.3577","0.001","90","","108.771","0.002","90","","3320.9","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","bis{(S)-N-(p-methoxphenyl)ethyl-2-oxo-1-naphthaldiminato-κ^2^N,O}zinc(II)","","- C40 H36 N2 O4 Zn -","- C40 H36 N2 O4 Zn -","- C160 H144 N8 O16 Zn4 -","4","2","","Enamullah, Mohammed; Makhloufi, Gamall; Ahmed, Rifat; Joy, Baitul Alif; Islam, Mohammad Ariful; Padula, Daniele; Hunter, Howard; Pescitelli, Gennaro; Janiak, Christoph","Synthesis, X-ray, and Spectroscopic Study of Dissymmetric Tetrahedral Zinc(II) Complexes from Chiral Schiff Base Naphthaldiminate Ligands with Apparent Exception to the ECD Exciton Chirality.","Inorganic chemistry","2016","55","13","6449","6464","10.1021/acs.inorgchem.6b00403","","","0.71073","MoKα","","0.0511","0.0364","","","0.0665","0.0708","","","","","","0.967","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347614","12.0388","0.0009","19.0223","0.0014","15.342","0.0011","90","","108.78","0.002","90","","3326.4","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","bis{(R)-N-(p-methoxphenyl)ethyl-2-oxo-1-naphthaldiminato-κ^2^N,O}zinc(II)","","- C40 H36 N2 O4 Zn -","- C40 H36 N2 O4 Zn -","- C160 H144 N8 O16 Zn4 -","4","2","","Enamullah, Mohammed; Makhloufi, Gamall; Ahmed, Rifat; Joy, Baitul Alif; Islam, Mohammad Ariful; Padula, Daniele; Hunter, Howard; Pescitelli, Gennaro; Janiak, Christoph","Synthesis, X-ray, and Spectroscopic Study of Dissymmetric Tetrahedral Zinc(II) Complexes from Chiral Schiff Base Naphthaldiminate Ligands with Apparent Exception to the ECD Exciton Chirality.","Inorganic chemistry","2016","55","13","6449","6464","10.1021/acs.inorgchem.6b00403","","","0.71073","MoKα","","0.0509","0.0364","","","0.0643","0.0682","","","","","","0.946","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347615","12.317","0.001","12.3233","0.001","14.1422","0.0012","67.844","0.01","73.242","0.011","67.03","0.01","1805.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H40 Cl12 La2 N6 O12 -","- C72 H40 Cl12 La2 N6 O12 -","- C72 H40 Cl12 La2 N6 O12 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0468","0.0332","","","0.0589","0.0632","","","","","","1.015","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347616","10.5927","0.001","13.198","0.0012","15.48","0.0014","67.675","0.011","88.912","0.012","69.615","0.012","1860.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H44 Cl12 La2 N6 O14 -","- C72 H44 Cl12 La2 N6 O14 -","- C72 H44 Cl12 La2 N6 O14 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0366","0.0286","","","0.0579","0.0612","","","","","","1.026","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347617","10.601","0.0008","13.2245","0.001","15.4213","0.0012","67.719","0.008","88.784","0.009","69.386","0.009","1856.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H44 Ce2 Cl12 N6 O14 -","- C72 H44 Ce2 Cl12 N6 O14 -","- C72 H44 Ce2 Cl12 N6 O14 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0393","0.0296","","","0.0573","0.0608","","","","","","1.017","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347618","12.821","0.0007","16.1881","0.0008","16.7008","0.0009","75.31","0.003","69.026","0.003","79.672","0.004","3115.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H60 Cl24 N6 O25 Pr4 -","- C114 H60 Cl24 N6 O25 Pr4 -","- C114 H60 Cl24 N6 O25 Pr4 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0497","0.035","","","0.0682","0.0745","","","","","","1.036","","","","has coordinates,has disorder","232409","2020-10-21","18:00:00",""
"4347619","12.8146","0.001","16.1805","0.0012","16.6822","0.0013","75.23","0.011","68.99","0.011","79.714","0.012","3107.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H59 Cl24 N6 Nd4 O24.5 -","- C114 H59 Cl24.0004 N6 Nd4 O24.5 -","- C114 H59 Cl24.0004 N6 Nd4 O24.5 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.032","0.0266","","","0.06","0.0617","","","","","","1.289","","","","has coordinates,has disorder","232409","2020-10-21","18:00:00",""
"4347620","12.7959","0.0006","16.2074","0.0007","16.6533","0.0007","74.992","0.004","68.87","0.003","79.511","0.004","3096.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 N6 O24 Sm4 -","- C114 H58 Cl24 N6 O24 Sm4 -","- C114 H58 Cl24 N6 O24 Sm4 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0444","0.031","","","0.064","0.0692","","","","","","1.022","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347621","12.7973","0.0007","16.2106","0.0009","16.6378","0.0009","74.907","0.001","68.772","0.002","79.499","0.001","3091.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 Eu4 N6 O24 -","- C114 H58 Cl24 Eu4 N6 O24 -","- C114 H58 Cl24 Eu4 N6 O24 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0461","0.0306","","","0.0564","0.0612","","","","","","1.022","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347622","12.762","0.006","16.214","0.007","16.564","0.007","74.969","0.004","68.961","0.005","79.614","0.005","3075","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 Gd4 N6 O24 -","- C114 H58 Cl24 Gd4 N6 O24 -","- C114 H58 Cl24 Gd4 N6 O24 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0519","0.0388","","","0.0897","0.0949","","","","","","1.036","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347623","12.7734","0.0008","16.2509","0.001","16.5612","0.001","74.915","0.003","68.995","0.003","79.546","0.004","3083.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 N6 O24 Tb4 -","- C114 H58 Cl24 N6 O24 Tb4 -","- C114 H58 Cl24 N6 O24 Tb4 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0588","0.0414","","","0.0921","0.0993","","","","","","1.018","","","","has coordinates","232409","2020-10-21","18:00:00",""
"4347624","12.7502","0.0013","16.3218","0.0016","16.4396","0.0016","74.909","0.007","79.71","0.008","70.042","0.008","3089.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 Dy4 N6 O24 -","- C114 H58 Cl24 Dy4 N6 O24 -","- C114 H58 Cl24 Dy4 N6 O24 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0367","0.0269","","","0.055","0.0575","","","","","","1.055","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347625","12.756","0.0009","16.3167","0.0011","16.4387","0.0011","74.929","0.01","79.748","0.011","70.023","0.009","3090","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 Ho4 N6 O24 -","- C114 H58 Cl24 Ho4 N6 O24 -","- C114 H58 Cl24 Ho4 N6 O24 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0534","0.0331","","","0.0588","0.0654","","","","","","1.007","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347626","12.7484","0.0015","16.3141","0.0019","16.4296","0.0019","74.927","0.008","79.759","0.009","70.013","0.009","3085.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 Er4 N6 O24 -","- C114 H58 Cl24 Er4 N6 O24 -","- C114 H58 Cl24 Er4 N6 O24 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0302","0.0239","","","0.0519","0.0546","","","","","","1.035","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347627","12.7386","0.0008","16.3002","0.001","16.4211","0.001","74.889","0.011","79.66","0.011","69.959","0.01","3077.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 N6 O24 Tm4 -","- C114 H58 Cl24 N6 O24 Tm4 -","- C114 H58 Cl24 N6 O24 Tm4 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0295","0.0228","","","0.0488","0.0513","","","","","","1.02","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347628","12.7384","0.0009","16.2786","0.0011","16.4168","0.0011","74.792","0.006","79.742","0.007","69.923","0.007","3070.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 N6 O24 Yb4 -","- C114 H58 Cl24 N6 O24 Yb4 -","- C114 H58 Cl24 N6 O24 Yb4 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0347","0.0275","","","0.0568","0.0595","","","","","","1.029","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347629","12.7351","0.0007","16.2643","0.001","16.393","0.0011","74.891","0.01","79.835","0.01","69.948","0.011","3065.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 Lu4 N6 O24 -","- C114 H58 Cl24 Lu4 N6 O24 -","- C114 H58 Cl24 Lu4 N6 O24 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0277","0.0219","","","0.0467","0.0488","","","","","","1.024","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347630","12.7564","0.0008","16.3271","0.0011","16.4585","0.0011","74.881","0.009","79.538","0.01","70.008","0.009","3093.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 N6 O24 Y4 -","- C114 H58 Cl24 N6 O24 Y4 -","- C114 H58 Cl24 N6 O24 Y4 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0621","0.0395","","","0.0786","0.0864","","","","","","1.011","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347631","11.0948","0.0006","21.2245","0.0012","9.3176","0.0005","90","","90","","90","","2194.1","0.2","296","2","296","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C22 H50 Co2 Dy F6 O20 P7 -","- C22 H46 Co2 Dy F6 O20 P7 -","- C44 H92 Co4 Dy2 F12 O40 P14 -","2","0.5","","Lim, Kwang Soo; Baldoví, José J; Lee, Woo Ram; Song, Jeong Hwa; Yoon, Sung Won; Suh, Byoung Jin; Coronado, Eugenio; Gaita-Ariño, Alejandro; Hong, Chang Seop","Switching of Slow Magnetic Relaxation Dynamics in Mononuclear Dysprosium(III) Compounds with Charge Density.","Inorganic chemistry","2016","55","11","5398","5404","10.1021/acs.inorgchem.6b00410","","","0.71073","MoKα","","0.0521","0.0488","","","0.1335","0.1366","","","","","","1.06","","","","has coordinates","232410","2020-10-21","18:00:00",""
"4347632","11.027","0.008","21.187","0.011","9.303","0.007","90","","90","","90","","2173","3","296","2","296","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C22 H50 Co2 F6 O20 P7 Y -","- C22 H46 Co2 F6 O20 P7 Y -","- C44 H92 Co4 F12 O40 P14 Y2 -","2","0.5","","Lim, Kwang Soo; Baldoví, José J; Lee, Woo Ram; Song, Jeong Hwa; Yoon, Sung Won; Suh, Byoung Jin; Coronado, Eugenio; Gaita-Ariño, Alejandro; Hong, Chang Seop","Switching of Slow Magnetic Relaxation Dynamics in Mononuclear Dysprosium(III) Compounds with Charge Density.","Inorganic chemistry","2016","55","11","5398","5404","10.1021/acs.inorgchem.6b00410","","","0.71073","MoKα","","0.1814","0.0825","","","0.1453","0.1907","","","","","","0.935","","","","has coordinates","232410","2020-10-21","18:00:00",""
"4347633","11.036","0.002","21.151","0.004","9.2922","0.0015","90","","90","","90","","2169","0.7","296","2","296","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C22 H50 Co2 Dy0.02 F6 O20 P7 Y0.98 -","- C22 H46 Co2 Dy0.02 F6 O20 P7 Y0.98 -","- C44 H92 Co4 Dy0.04 F12 O40 P14 Y1.96 -","2","0.5","","Lim, Kwang Soo; Baldoví, José J; Lee, Woo Ram; Song, Jeong Hwa; Yoon, Sung Won; Suh, Byoung Jin; Coronado, Eugenio; Gaita-Ariño, Alejandro; Hong, Chang Seop","Switching of Slow Magnetic Relaxation Dynamics in Mononuclear Dysprosium(III) Compounds with Charge Density.","Inorganic chemistry","2016","55","11","5398","5404","10.1021/acs.inorgchem.6b00410","","","0.71073","MoKα","","0.1033","0.0558","","","0.1061","0.1232","","","","","","0.953","","","","has coordinates","232410","2020-10-21","18:00:00",""
"4347634","12.3285","0.0007","19.4664","0.001","16.774","0.001","90","","102.686","0.003","90","","3927.3","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H46 Co2 Dy N O21 P6 -","- C22 H46 Co2 Dy N O21 P6 -","- C88 H184 Co8 Dy4 N4 O84 P24 -","4","1","","Lim, Kwang Soo; Baldoví, José J; Lee, Woo Ram; Song, Jeong Hwa; Yoon, Sung Won; Suh, Byoung Jin; Coronado, Eugenio; Gaita-Ariño, Alejandro; Hong, Chang Seop","Switching of Slow Magnetic Relaxation Dynamics in Mononuclear Dysprosium(III) Compounds with Charge Density.","Inorganic chemistry","2016","55","11","5398","5404","10.1021/acs.inorgchem.6b00410","","","0.71073","MoKα","","0.0958","0.0495","","","0.1084","0.1286","","","","","","1.061","","","","has coordinates","232410","2020-10-21","18:00:00",""
"4347635","12.286","0.0005","19.4333","0.0008","16.7538","0.0006","90","","102.943","0.003","90","","3898.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H46 Co2 N O21 P6 Y -","- C22 H46 Co2 N O21 P6 Y -","- C88 H184 Co8 N4 O84 P24 Y4 -","4","1","","Lim, Kwang Soo; Baldoví, José J; Lee, Woo Ram; Song, Jeong Hwa; Yoon, Sung Won; Suh, Byoung Jin; Coronado, Eugenio; Gaita-Ariño, Alejandro; Hong, Chang Seop","Switching of Slow Magnetic Relaxation Dynamics in Mononuclear Dysprosium(III) Compounds with Charge Density.","Inorganic chemistry","2016","55","11","5398","5404","10.1021/acs.inorgchem.6b00410","","","0.71073","MoKα","","0.1678","0.0693","","","0.1299","0.1641","","","","","","0.94","","","","has coordinates","232410","2020-10-21","18:00:00",""
"4347636","12.2922","0.0005","19.4442","0.0008","16.7632","0.0007","90","","102.938","0.003","90","","3904.9","0.3","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H46 Co2 Dy0.04 N O21 P6 Y0.96 -","- C22 H46 Co2 Dy0.04 N O21 P6 Y0.96 -","- C88 H184 Co8 Dy0.16 N4 O84 P24 Y3.84 -","4","1","","Lim, Kwang Soo; Baldoví, José J; Lee, Woo Ram; Song, Jeong Hwa; Yoon, Sung Won; Suh, Byoung Jin; Coronado, Eugenio; Gaita-Ariño, Alejandro; Hong, Chang Seop","Switching of Slow Magnetic Relaxation Dynamics in Mononuclear Dysprosium(III) Compounds with Charge Density.","Inorganic chemistry","2016","55","11","5398","5404","10.1021/acs.inorgchem.6b00410","","","0.71073","MoKα","","0.1625","0.0608","","","0.1246","0.163","","","","","","0.942","","","","has coordinates","232410","2020-10-21","18:00:00",""
"4347637","16.847","0.004","6.2741","0.0016","15.814","0.004","90","","106.321","0.004","90","","1604.2","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H21 Co N O10 P2 -","- C9 H21 Co N O10 P2 -","- C36 H84 Co4 N4 O40 P8 -","4","1","","Cai, Zhong-Sheng; Bao, Song-Song; Wang, Xi-Zhang; Hu, Zheng; Zheng, Li-Min","Multiple-Step Humidity-Induced Single-Crystal to Single-Crystal Transformations of a Cobalt Phosphonate: Structural and Proton Conductivity Studies.","Inorganic chemistry","2016","55","7","3706","3712","10.1021/acs.inorgchem.6b00413","","","0.71073","MoKα","","0.1136","0.0804","","","0.2027","0.2209","","","","","","1.001","","","","has coordinates","232411","2020-10-21","18:00:00",""
"4347638","16.261","0.005","6.2566","0.0019","15.639","0.005","90","","114.182","0.004","90","","1451.5","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H40 Co2 N2 O17 P4 -","- C18 H40 Co2 N2 O17 P4 -","- C36 H80 Co4 N4 O34 P8 -","2","0.5","","Cai, Zhong-Sheng; Bao, Song-Song; Wang, Xi-Zhang; Hu, Zheng; Zheng, Li-Min","Multiple-Step Humidity-Induced Single-Crystal to Single-Crystal Transformations of a Cobalt Phosphonate: Structural and Proton Conductivity Studies.","Inorganic chemistry","2016","55","7","3706","3712","10.1021/acs.inorgchem.6b00413","","","0.71073","MoKα","","0.1192","0.0952","","","0.2486","0.2666","","","","","","1.004","","","","has coordinates,has disorder","232412","2020-10-21","18:00:00",""
"4347639","34.454","0.011","6.358","0.002","15.408","0.005","90","","110.757","0.005","90","","3156.2","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H41 Co2 N5 O16 P4 -","- C19 H41 Co2 N5 O16 P4 -","- C76 H164 Co8 N20 O64 P16 -","4","0.5","","Cai, Zhong-Sheng; Bao, Song-Song; Wang, Xi-Zhang; Hu, Zheng; Zheng, Li-Min","Multiple-Step Humidity-Induced Single-Crystal to Single-Crystal Transformations of a Cobalt Phosphonate: Structural and Proton Conductivity Studies.","Inorganic chemistry","2016","55","7","3706","3712","10.1021/acs.inorgchem.6b00413","","","0.71073","MoKα","","0.0376","0.0312","","","0.0811","0.0848","","","","","","1.004","","","","has coordinates","232413","2020-10-21","18:00:00",""
"4347640","17.425","0.004","10.684","0.002","15.272","0.003","90","","96.54","0.03","90","","2824.7","1","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C25 H31 Cl2 N5 Ni O10 -","- C25 H31 Cl2 N5 Ni O10 -","- C100 H124 Cl8 N20 Ni4 O40 -","4","1","","Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Late First-Row Transition-Metal Complexes Containing a 2-Pyridylmethyl Pendant-Armed 15-Membered Macrocyclic Ligand. Field-Induced Slow Magnetic Relaxation in a Seven-Coordinate Cobalt(II) Compound.","Inorganic chemistry","2016","55","12","5957","5972","10.1021/acs.inorgchem.6b00415","","","0.71073","MoKα","","0.0273","0.0257","","","0.0628","0.0637","","","","","","1.008","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347641","18.3758","0.0009","9.1185","0.0004","18.809","0.0008","90","","113.237","0.001","90","","2896","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H31 Cl2 Fe N5 O10 -","- C25 H31 Cl2 Fe N5 O10 -","- C100 H124 Cl8 Fe4 N20 O40 -","4","2","","Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Late First-Row Transition-Metal Complexes Containing a 2-Pyridylmethyl Pendant-Armed 15-Membered Macrocyclic Ligand. Field-Induced Slow Magnetic Relaxation in a Seven-Coordinate Cobalt(II) Compound.","Inorganic chemistry","2016","55","12","5957","5972","10.1021/acs.inorgchem.6b00415","","","0.71073","MoKα","","0.031","0.0274","","","0.0664","0.0681","","","","","","1.058","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347642","18.306","0.0011","9.1269","0.0005","18.7659","0.001","90","","113.5","0.002","90","","2875.3","0.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H31 Cl2 Co N5 O10 -","- C25 H31 Cl2 Co N5 O10 -","- C100 H124 Cl8 Co4 N20 O40 -","4","2","","Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Late First-Row Transition-Metal Complexes Containing a 2-Pyridylmethyl Pendant-Armed 15-Membered Macrocyclic Ligand. Field-Induced Slow Magnetic Relaxation in a Seven-Coordinate Cobalt(II) Compound.","Inorganic chemistry","2016","55","12","5957","5972","10.1021/acs.inorgchem.6b00415","","","0.71073","MoKα","","0.0424","0.0329","","","0.073","0.0777","","","","","","1.047","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347643","18.4837","0.0011","9.1361","0.0005","18.7481","0.0011","90","","113.011","0.001","90","","2914.1","0.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H31 Cl2 Mn N5 O10 -","- C25 H31 Cl2 Mn N5 O10 -","- C100 H124 Cl8 Mn4 N20 O40 -","4","2","","Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Late First-Row Transition-Metal Complexes Containing a 2-Pyridylmethyl Pendant-Armed 15-Membered Macrocyclic Ligand. Field-Induced Slow Magnetic Relaxation in a Seven-Coordinate Cobalt(II) Compound.","Inorganic chemistry","2016","55","12","5957","5972","10.1021/acs.inorgchem.6b00415","","","0.71073","MoKα","","0.0951","0.0656","","","0.1449","0.1583","","","","","","1.04","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347644","6.1891","0.0003","12.1423","0.0009","15.9337","0.0009","106.36","0.003","97.182","0.003","93.344","0.003","1134.4","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H31 N5 O2 -","- C25 H31 N5 O2 -","- C50 H62 N10 O4 -","2","1","","Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Late First-Row Transition-Metal Complexes Containing a 2-Pyridylmethyl Pendant-Armed 15-Membered Macrocyclic Ligand. Field-Induced Slow Magnetic Relaxation in a Seven-Coordinate Cobalt(II) Compound.","Inorganic chemistry","2016","55","12","5957","5972","10.1021/acs.inorgchem.6b00415","","","0.71073","MoKα","","0.1051","0.063","","","0.1226","0.137","","","","","","1.067","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347645","9.7677","0.0005","10.613","0.0006","15.3827","0.0008","80.106","0.002","84.709","0.002","65.812","0.002","1432.58","0.13","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C25 H31 Cl2 Cu N5 O10 -","- C25 H31 Cl2 Cu N5 O10 -","- C50 H62 Cl4 Cu2 N10 O20 -","2","2","","Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Late First-Row Transition-Metal Complexes Containing a 2-Pyridylmethyl Pendant-Armed 15-Membered Macrocyclic Ligand. Field-Induced Slow Magnetic Relaxation in a Seven-Coordinate Cobalt(II) Compound.","Inorganic chemistry","2016","55","12","5957","5972","10.1021/acs.inorgchem.6b00415","","","0.71073","MoKα","","0.0459","0.0372","","","0.0835","0.0873","","","","","","1.093","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347646","12.6873","0.0004","15.5411","0.0004","46.6493","0.0018","90","","90","","90","","9198.1","0.5","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H36 F12 N8 P2 Ru -","- C50 H36 F12 N8 P2 Ru -","- C400 H288 F96 N64 P16 Ru8 -","8","1","","Schlotthauer, Tina; Suchland, Benedikt; Görls, Helmar; Parada, Giovanny A.; Hammarström, Leif; Schubert, Ulrich S.; Jäger, Michael","Aryl-Decorated Ru(II) Polypyridyl-type Photosensitizer Approaching NIR Emission with Microsecond Excited State Lifetimes.","Inorganic chemistry","2016","55","11","5405","5416","10.1021/acs.inorgchem.6b00420","","","0.71073","MoKα","","0.0591","0.0391","","","0.0819","0.09","","","","","","1.034","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347647","11.5681","0.0003","22.808","0.0005","20.9948","0.0005","90","","98.16","0.001","90","","5483.3","0.2","133","2","133","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C51 H43 Br Cl4 F12 N6 P2 Ru -","- C51 H43 Br Cl4 F12 N6 P2 Ru -","- C204 H172 Br4 Cl16 F48 N24 P8 Ru4 -","4","1","","Schlotthauer, Tina; Suchland, Benedikt; Görls, Helmar; Parada, Giovanny A.; Hammarström, Leif; Schubert, Ulrich S.; Jäger, Michael","Aryl-Decorated Ru(II) Polypyridyl-type Photosensitizer Approaching NIR Emission with Microsecond Excited State Lifetimes.","Inorganic chemistry","2016","55","11","5405","5416","10.1021/acs.inorgchem.6b00420","","","0.71073","MoKα","","0.0841","0.0644","","","0.1482","0.1627","","","","","","1.064","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347648","10.5646","0.0004","22.227","0.0009","19.9388","0.0008","90","","104.882","0.002","90","","4525","0.3","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 F12 N6 O P2 Ru -","- C33 H34 F12 N6 O P2 Ru -","- C132 H136 F48 N24 O4 P8 Ru4 -","4","1","","Schlotthauer, Tina; Suchland, Benedikt; Görls, Helmar; Parada, Giovanny A.; Hammarström, Leif; Schubert, Ulrich S.; Jäger, Michael","Aryl-Decorated Ru(II) Polypyridyl-type Photosensitizer Approaching NIR Emission with Microsecond Excited State Lifetimes.","Inorganic chemistry","2016","55","11","5405","5416","10.1021/acs.inorgchem.6b00420","","","0.71073","MoKα","","0.0936","0.0764","","","0.2224","0.237","","","","","","1.052","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347649","8.9836","0.0002","10.5918","0.0004","32.7196","0.0014","90","","90","","90","","3113.35","0.19","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","LIFM-40","","","- C36 H34 Ca N2 O6 -","- C36 H34 Ca N2 O6 -","- C144 H136 Ca4 N8 O24 -","4","1","","Wei, Zhang-Wen; Chen, Cheng-Xia; Zheng, Shao-Ping; Wang, Hai-Ping; Fan, Ya-Nan; Ai, Ye-Ye; Pan, Mei; Su, Cheng-Yong","Rigidifying Effect of Metal-Organic Frameworks: Protect the Conformation, Packing Mode, and Blue Fluorescence of a Soft Piezofluorochromic Compound under Pressures up to 8 MPa.","Inorganic chemistry","2016","55","15","7311","7313","10.1021/acs.inorgchem.6b00429","","","1.54184","CuKα","","0.095","0.0897","","","0.2369","0.2422","","","","","","1.087","","","","has coordinates","232421","2020-10-21","18:00:00",""
"4347650","25.853","0.004","8.0214","0.0011","16.439","0.003","90","","91.689","0.001","90","","3407.6","0.9","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 N4 Zn -","- C40 H42 N4 Zn -","- C160 H168 N16 Zn4 -","4","1","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","Bis(dipyrrinato)zinc(II) Complexes: Emission in the Solid State.","Inorganic chemistry","2016","55","12","5732","5734","10.1021/acs.inorgchem.6b00431","","","0.7107","MoKα","","","0.0409","","","","0.1166","","","","","","1.057","","","","has coordinates","232422","2020-10-21","18:00:00",""
"4347651","18.4026","0.0004","18.4026","0.0004","24.6441","0.0009","90","","90","","120","","7227.7","0.3","113","","113","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C53 H66 N4 O Zn -","- C54 H66 N4 O2 Zn -","- C324 H396 N24 O12 Zn6 -","6","0.5","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","Bis(dipyrrinato)zinc(II) Complexes: Emission in the Solid State.","Inorganic chemistry","2016","55","12","5732","5734","10.1021/acs.inorgchem.6b00431","","","0.7107","MoKα","","","0.0448","","","","0.1272","","","","","","1.08","","","","has coordinates","232422","2020-10-21","18:00:00",""
"4347652","11.3092","0.0016","13.973","0.002","16.046","0.003","102.672","0.008","107.805","0.008","94.872","0.007","2323.6","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H44 Cl6 N4 Zn -","- C53 H44 Cl6 N4 Zn -","- C106 H88 Cl12 N8 Zn2 -","2","1","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","Bis(dipyrrinato)zinc(II) Complexes: Emission in the Solid State.","Inorganic chemistry","2016","55","12","5732","5734","10.1021/acs.inorgchem.6b00431","","","0.354","Synchrotron","","","0.1136","","","","0.3625","","","","","","1.294","","","","has coordinates","232422","2020-10-21","18:00:00",""
"4347653","25.18","0.01","20.397","0.008","18.983","0.007","90","","98.106","0.005","90","","9652","6","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H52 Cl4 N4 Zn -","- C56 H50 Cl4 N4 Zn -","- C448 H400 Cl32 N32 Zn8 -","8","1","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","Bis(dipyrrinato)zinc(II) Complexes: Emission in the Solid State.","Inorganic chemistry","2016","55","12","5732","5734","10.1021/acs.inorgchem.6b00431","","","0.7107","MoKα","","","0.0696","","","","0.2237","","","","","","1.039","","","","has coordinates","232422","2020-10-21","18:00:00",""
"4347654","19.6231","0.0004","8.60965","0.00016","30.9024","0.0006","90","","103.976","0.008","90","","5066.3","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H64 Cl2 N4 Zn -","- C63 H64 Cl2 N4 Zn -","- C252 H256 Cl8 N16 Zn4 -","4","1","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","Bis(dipyrrinato)zinc(II) Complexes: Emission in the Solid State.","Inorganic chemistry","2016","55","12","5732","5734","10.1021/acs.inorgchem.6b00431","","","0.354","synchrotron","","","0.0407","","","","0.1092","","","","","","1.056","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347655","48.682","0.015","11.495","0.004","21.478","0.007","90","","103.158","0.005","90","","11704","7","113","","113","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H54 N4 Zn -","- C46 H54 N4 Zn -","- C552 H648 N48 Zn12 -","12","1.5","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","Bis(dipyrrinato)zinc(II) Complexes: Emission in the Solid State.","Inorganic chemistry","2016","55","12","5732","5734","10.1021/acs.inorgchem.6b00431","","","0.7107","MoKα","","","0.0737","","","","0.1863","","","","","","1.095","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347656","61.25","0.02","11.159","0.004","21.726","0.008","90","","107.814","0.005","90","","14138","9","93","","93","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H70 N4 Zn -","- C54 H64 N4 Zn -","- C648 H768 N48 Zn12 -","12","1.5","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","Bis(dipyrrinato)zinc(II) Complexes: Emission in the Solid State.","Inorganic chemistry","2016","55","12","5732","5734","10.1021/acs.inorgchem.6b00431","","","0.71075","MoKα","","","0.1","","","","0.2287","","","","","","1.1","","","","has coordinates","232422","2020-10-21","18:00:00",""
"4347657","14.0845","0.00019","14.0845","0.00019","44.2036","0.001","90","","90","","90","","8768.8","0.3","173","0.1","173","0.1","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C36 H44 Cu N14 O16 -","- C36 H44 Cu N14 O16 -","- C288 H352 Cu8 N112 O128 -","8","0.5","","Wang, Ying; Meng, Shan-Shan; Lin, Peng-Xiang; Xiao, Yi-Wei; Ma, Qing-Qing; Xie, Qiong; Chen, Yuan-Yuan; Zhao, Xiao-Jun; Chen, Jun","Solvent-Induced Single Crystal-Single Crystal Transformation of an Interpenetrated Three-Dimensional Copper Triazole Catalytic Framework.","Inorganic chemistry","2016","55","9","4069","4071","10.1021/acs.inorgchem.6b00433","","x-ray","1.54184","CuKα","","0.0438","0.041","","","0.1066","0.1089","","","","","","1.046","","","","has coordinates","232423","2020-10-21","18:00:00",""
"4347658","12.5757","0.0009","13.4705","0.001","14.2408","0.0011","99.641","0.001","95.823","0.002","117.245","0.001","2070.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H78 Cu2 N30 O22 -","- C78 H66 Cu2 N30 O22 -","- C78 H66 Cu2 N30 O22 -","1","0.5","","Wang, Ying; Meng, Shan-Shan; Lin, Peng-Xiang; Xiao, Yi-Wei; Ma, Qing-Qing; Xie, Qiong; Chen, Yuan-Yuan; Zhao, Xiao-Jun; Chen, Jun","Solvent-Induced Single Crystal-Single Crystal Transformation of an Interpenetrated Three-Dimensional Copper Triazole Catalytic Framework.","Inorganic chemistry","2016","55","9","4069","4071","10.1021/acs.inorgchem.6b00433","","","0.71073","MoKα","","0.0788","0.0537","","","0.1254","0.1375","","","","","","1.019","","","","has coordinates,has disorder","232424","2020-10-21","18:00:00",""
"4347659","44.902","0.009","40.884","0.008","38.996","0.008","90","","95.497","0.003","90","","71259","2","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C98 H108 F24 N12 P4 Ru2 S4 -","- C98 H108 F24 N12 P4 Ru2 S4 -","- C1568 H1728 F384 N192 P64 Ru32 S64 -","16","2","","Chen, Bin; Lv, Zhong-Peng; Hua, Carol; Leong, Chanel F.; Tuna, Floriana; D'Alessandro, Deanna M; Collison, David; Zuo, Jing-Lin","Dinuclear Ruthenium Complex Based on a π-Extended Bridging Ligand with Redox-Active Tetrathiafulvalene and 1,10-Phenanthroline Units.","Inorganic chemistry","2016","55","9","4606","4615","10.1021/acs.inorgchem.6b00437","","","0.71073","MoKα","","0.077","0.0507","","","0.1209","0.1269","","","","","","1.037","","","","has coordinates","232425","2020-10-21","18:00:00",""
"4347660","21.5781","0.0011","10.6543","0.0005","17.4825","0.0008","90","","112.232","0.001","90","","3720.4","0.3","80","2","80","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 Fe2 N6 P2 -","- C36 H56 Fe2 N6 P2 -","- C144 H224 Fe8 N24 P8 -","4","0.5","","Pick, Fraser S.; Thompson, John R.; Savard, Didier S.; Leznoff, Daniel B.; Fryzuk, Michael D.","Synthesis of Iron and Cobalt Complexes of a Ferrocene-Linked Diphosphinoamide Ligand and Characterization of a Weak Iron-Cobalt Interaction.","Inorganic chemistry","2016","55","8","4059","4067","10.1021/acs.inorgchem.6b00443","","","0.71073","MoKα","","0.0568","0.0348","","","0.0785","0.0872","","","","","","1.023","","","","has coordinates","232426","2020-10-21","18:00:00",""
"4347661","10.3912","0.0008","12.2273","0.001","19.1171","0.0015","90","","96.112","0.002","90","","2415.1","0.3","80","2","80","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H72 Fe4 N4 P4 -","- C44 H72 Fe4 N4 P4 -","- C88 H144 Fe8 N8 P8 -","2","0.5","","Pick, Fraser S.; Thompson, John R.; Savard, Didier S.; Leznoff, Daniel B.; Fryzuk, Michael D.","Synthesis of Iron and Cobalt Complexes of a Ferrocene-Linked Diphosphinoamide Ligand and Characterization of a Weak Iron-Cobalt Interaction.","Inorganic chemistry","2016","55","8","4059","4067","10.1021/acs.inorgchem.6b00443","","","0.71073","MoKα","","0.0292","0.0237","","","0.0599","0.0634","","","","","","1.026","","","","has coordinates","232427","2020-10-21","18:00:00",""
"4347662","9.969","0.005","12.244","0.005","19.17","0.005","90","","98.468","0.005","90","","2314.4","1.6","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Co Fe N2 P2 -","- C22 H36 Co Fe N2 P2 -","- C88 H144 Co4 Fe4 N8 P8 -","4","1","","Pick, Fraser S.; Thompson, John R.; Savard, Didier S.; Leznoff, Daniel B.; Fryzuk, Michael D.","Synthesis of Iron and Cobalt Complexes of a Ferrocene-Linked Diphosphinoamide Ligand and Characterization of a Weak Iron-Cobalt Interaction.","Inorganic chemistry","2016","55","8","4059","4067","10.1021/acs.inorgchem.6b00443","","","0.71073","MoKα","","0.0601","0.0354","","","0.0674","0.0751","","","","","","1.014","","","","has coordinates","232428","2020-10-21","18:00:00",""
"4347663","12.7324","0.0005","7.3646","0.0003","12.9803","0.0005","90","","90","","90","","1217.15","0.08","133","2","133","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H5 Fe I N6 Ni O -","- C8 H5 Fe I N6 Ni O -","- C32 H20 Fe4 I4 N24 Ni4 O4 -","4","0.5","","Kucheriv, Olesia I.; Shylin, Sergii I.; Ksenofontov, Vadim; Dechert, Sebastian; Haukka, Matti; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin Crossover in Fe(II)-M(II) Cyanoheterobimetallic Frameworks (M = Ni, Pd, Pt) with 2-Substituted Pyrazines.","Inorganic chemistry","2016","55","10","4906","4914","10.1021/acs.inorgchem.6b00446","","","0.71073","MoKα","","0.082","0.0664","","","0.1626","0.1717","","","","","","1.003","","","","has coordinates","232429","2020-10-21","18:00:00",""
"4347664","12.9755","0.0002","7.5378","0.00013","13.2172","0.0003","90","","90","","90","","1292.73","0.04","170","2","170","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H5 Fe I N6 O Pd -","- C8 H5 Fe I N6 O Pd -","- C32 H20 Fe4 I4 N24 O4 Pd4 -","4","0.5","","Kucheriv, Olesia I.; Shylin, Sergii I.; Ksenofontov, Vadim; Dechert, Sebastian; Haukka, Matti; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin Crossover in Fe(II)-M(II) Cyanoheterobimetallic Frameworks (M = Ni, Pd, Pt) with 2-Substituted Pyrazines.","Inorganic chemistry","2016","55","10","4906","4914","10.1021/acs.inorgchem.6b00446","","","0.71073","MoKα","","0.0178","0.0163","","","0.0405","0.0413","","","","","","1.149","","","","has coordinates","232430","2020-10-21","18:00:00",""
"4347665","7.6058","0.0003","9.1866","0.0007","14.0502","0.0012","71.954","0.007","87.867","0.005","86.289","0.004","931.31","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Complex","","- C10.75 H10.1 Fe N6.7 O Pt -","- C10.75 H10.1 Fe N6.7 O Pt -","- C21.5 H20.2 Fe2 N13.4 O2 Pt2 -","2","1","","Kucheriv, Olesia I.; Shylin, Sergii I.; Ksenofontov, Vadim; Dechert, Sebastian; Haukka, Matti; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin Crossover in Fe(II)-M(II) Cyanoheterobimetallic Frameworks (M = Ni, Pd, Pt) with 2-Substituted Pyrazines.","Inorganic chemistry","2016","55","10","4906","4914","10.1021/acs.inorgchem.6b00446","","","0.71073","MoKα","","0.086","0.0809","","","0.2113","0.2177","","","","","","1.064","","","","has coordinates,has disorder","232431","2020-10-21","18:00:00",""
"4347666","16.7053","0.0011","7.1336","0.0004","7.328","0.0003","90","","110.358","0.005","90","","818.72","0.08","250","2","250","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H6 Cl2 Fe N8 Ni -","- C12 H6 Cl2 Fe N8 Ni -","- C24 H12 Cl4 Fe2 N16 Ni2 -","2","0.25","","Kucheriv, Olesia I.; Shylin, Sergii I.; Ksenofontov, Vadim; Dechert, Sebastian; Haukka, Matti; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin Crossover in Fe(II)-M(II) Cyanoheterobimetallic Frameworks (M = Ni, Pd, Pt) with 2-Substituted Pyrazines.","Inorganic chemistry","2016","55","10","4906","4914","10.1021/acs.inorgchem.6b00446","","","0.71073","MoKα","","0.0419","0.0295","","","0.0603","0.0659","","","","","","1.062","","","","has coordinates","232432","2020-10-21","18:00:00",""
"4347667","12.91814","0.00009","7.52763","0.00006","13.28367","0.00011","90","","90","","90","","1291.74","0.017","170","2","170","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H5 Fe I N6 O Pt -","- C8 H5 Fe I N6 O Pt -","- C32 H20 Fe4 I4 N24 O4 Pt4 -","4","0.5","","Kucheriv, Olesia I.; Shylin, Sergii I.; Ksenofontov, Vadim; Dechert, Sebastian; Haukka, Matti; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin Crossover in Fe(II)-M(II) Cyanoheterobimetallic Frameworks (M = Ni, Pd, Pt) with 2-Substituted Pyrazines.","Inorganic chemistry","2016","55","10","4906","4914","10.1021/acs.inorgchem.6b00446","","","0.71073","MoKα","","0.0211","0.0199","","","0.0454","0.0458","","","","","","1.31","","","","has coordinates","232433","2020-10-21","18:00:00",""
"4347668","16.511","0.002","6.9222","0.001","7.2033","0.0007","90","","112.05","0.012","90","","763.07","0.17","170","2","170","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H6 Cl2 Fe N8 Ni -","- C12 H6 Cl2 Fe N8 Ni -","- C24 H12 Cl4 Fe2 N16 Ni2 -","2","0.25","","Kucheriv, Olesia I.; Shylin, Sergii I.; Ksenofontov, Vadim; Dechert, Sebastian; Haukka, Matti; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin Crossover in Fe(II)-M(II) Cyanoheterobimetallic Frameworks (M = Ni, Pd, Pt) with 2-Substituted Pyrazines.","Inorganic chemistry","2016","55","10","4906","4914","10.1021/acs.inorgchem.6b00446","","","0.71073","MoKα","","0.0508","0.0367","","","0.0843","0.0915","","","","","","1.105","","","","has coordinates","232434","2020-10-21","18:00:00",""
"4347669","9.0564","0.0003","20.6815","0.0008","14.3598","0.0005","90","","106.036","0.002","90","","2584.93","0.16","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","usu224","","","- C27 H21 Cl2 Cu N3 O6 -","- C27 H21 Cl2 Cu N3 O6 -","- C108 H84 Cl8 Cu4 N12 O24 -","4","1","","Saraf, Sushma L.; Miłaczewska, Anna; Borowski, Tomasz; James, Christopher D.; Tierney, David L.; Popova, Marina; Arif, Atta M.; Berreau, Lisa M.","Anion Effects in Oxidative Aliphatic Carbon-Carbon Bond Cleavage Reactions of Cu(II) Chlorodiketonate Complexes.","Inorganic chemistry","2016","55","14","6916","6928","10.1021/acs.inorgchem.6b00456","","","0.71073","MoKα","","0.0479","0.0342","","","0.0817","0.087","","","","","","1.033","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347670","11.0622","0.0003","24.4722","0.0006","12.2273","0.0003","90","","100.617","0.001","90","","3253.46","0.14","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","usu225","","","- C37 H31 Cl Cu N4 O6 -","- C37 H31 Cl Cu N4 O6 -","- C148 H124 Cl4 Cu4 N16 O24 -","4","1","","Saraf, Sushma L.; Miłaczewska, Anna; Borowski, Tomasz; James, Christopher D.; Tierney, David L.; Popova, Marina; Arif, Atta M.; Berreau, Lisa M.","Anion Effects in Oxidative Aliphatic Carbon-Carbon Bond Cleavage Reactions of Cu(II) Chlorodiketonate Complexes.","Inorganic chemistry","2016","55","14","6916","6928","10.1021/acs.inorgchem.6b00456","","","0.71073","MoKα","","0.036","0.0284","","","0.067","0.0708","","","","","","1.03","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347671","14.4362","0.0011","14.6137","0.0011","15.6767","0.0011","66.592","0.003","75.69","0.003","79.75","0.003","2929","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42.75 H92.75 Al2 O16 Si3 -","- C42.75 H92.75 Al2 O16 Si3 -","- C85.5 H185.5 Al4 O32 Si6 -","2","1","","Stelzer, Adrian C.; Hrobárik, Peter; Braun, Thomas; Kaupp, Martin; Braun-Cula, Beatrice","Completing the Heterocubane Family [Cp*AlE]4 (E = O, S, Se, and Te) by Selective Oxygenation and Sulfuration of [Cp*Al]4: Density Functional Theory Calculations of [Cp*AlE]4 and Reactivity of [Cp*AlO]4 toward Hydrolysis.","Inorganic chemistry","2016","55","10","4915","4923","10.1021/acs.inorgchem.6b00462","","","0.71073","MoKα","","0.0508","0.044","","","0.1171","0.1229","","","","","","1.049","","","","has coordinates,has disorder","232436","2020-10-21","18:00:00",""
"4347672","13.8417","0.0017","26.294","0.003","21.221","0.003","90","","100.622","0.004","90","","7591.1","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C100 H226 Al8 O52 Si8 -","- C100 H226 Al8 O52 Si8 -","- C200 H452 Al16 O104 Si16 -","2","0.5","","Stelzer, Adrian C.; Hrobárik, Peter; Braun, Thomas; Kaupp, Martin; Braun-Cula, Beatrice","Completing the Heterocubane Family [Cp*AlE]4 (E = O, S, Se, and Te) by Selective Oxygenation and Sulfuration of [Cp*Al]4: Density Functional Theory Calculations of [Cp*AlE]4 and Reactivity of [Cp*AlO]4 toward Hydrolysis.","Inorganic chemistry","2016","55","10","4915","4923","10.1021/acs.inorgchem.6b00462","","","0.71073","MoKα","","0.155","0.1044","","","0.2753","0.3272","","","","","","0.993","","","","has coordinates,has disorder","232436","2020-10-21","18:00:00",""
"4347673","10.1685","0.0005","19.1118","0.0011","21.4271","0.0011","73.3783","0.0016","79.7478","0.0014","74.8793","0.0017","3827.8","0.4","100","2","100","2","","","","","","","synthetical product","7","P -1","-P 1","2","catena-{tri-acetonitrile-di(mu2-aqua)-bis[mu2-hydrido-2,2',2''-boranetri- yltris(6-tert-butylpyridazine-3(2H)-thione)]-di-potassium} acetonitrile solvate (1:1)","catena-{tri-acetonitrile-di(mu2-aqua)-bis[mu2-hydrido-2,2',2''-boranetri- yltris(6-tert-butylpyridazine-3(2H)-thione)]-di-potassium} acetonitrile solvate (1:1)","","- C62 H96 B2 K2 N16 O2 S6 -","- C62 H96 B2 K2 N16 O2 S6 -","- C124 H192 B4 K4 N32 O4 S12 -","2","1","","Holler, Stefan; Tüchler, Michael; Belaj, Ferdinand; Veiros, Luis F.; Kirchner, Karl; Mösch-Zanetti, Nadia C","Thiopyridazine-Based Copper Boratrane Complexes Demonstrating the Z-type Nature of the Ligand.","Inorganic chemistry","2016","55","10","4980","4991","10.1021/acs.inorgchem.6b00464","","","0.71073","MoKα","","0.057","0.0389","","","0.0909","0.0985","","","","","","1.032","","","","has coordinates","232437","2020-10-21","18:00:00",""
"4347674","9.7437","0.0004","22.9874","0.0009","18.5472","0.0007","90","","99.4121","0.0013","90","","4098.3","0.3","100","2","100","2","","","","","","","synthetical product","7","P 1 21/c 1","-P 2ybc","14","(2,2',2""-boranetriyltris(6-tert-butyl-4-methylpyrida- zine-3(2H)-thione))-chloro-copper(I) trichloromethane solvate (1:2)","(2,2',2""-boranetriyltris(6-tert-butyl-4-methylpyrida- zine-3(2H)-thione))-chloro-copper(I) trichloromethane solvate (1:2)","","- C29 H41 B Cl7 Cu N6 S3 -","- C29 H41 B Cl7 Cu N6 S3 -","- C116 H164 B4 Cl28 Cu4 N24 S12 -","4","1","","Holler, Stefan; Tüchler, Michael; Belaj, Ferdinand; Veiros, Luis F.; Kirchner, Karl; Mösch-Zanetti, Nadia C","Thiopyridazine-Based Copper Boratrane Complexes Demonstrating the Z-type Nature of the Ligand.","Inorganic chemistry","2016","55","10","4980","4991","10.1021/acs.inorgchem.6b00464","","","0.71073","MoKα","","0.0562","0.047","","","0.1264","0.1299","","","","","","1.072","","","","has coordinates","232437","2020-10-21","18:00:00",""
"4347675","9.7806","0.0004","12.2287","0.0005","15.9639","0.0007","108.487","0.0018","96.4871","0.0019","98.3205","0.0018","1765.89","0.13","100","2","100","2","","","","","","","synthetical product","8","P -1","-P 1","2","(2,2',2""-boranetriyltris(6-tert-butylpyridazine-3(2H)-thione))- (trifluoromethanesulfonato)-copper(I)","(2,2',2""-boranetriyltris(6-tert-butylpyridazine-3(2H)-thione))- (trifluoromethanesulfonato)-copper(I)","","- C28 H39 B Cu F3 N6 O3 S4 -","- C28 H39 B Cu F3 N6 O3 S4 -","- C56 H78 B2 Cu2 F6 N12 O6 S8 -","2","1","","Holler, Stefan; Tüchler, Michael; Belaj, Ferdinand; Veiros, Luis F.; Kirchner, Karl; Mösch-Zanetti, Nadia C","Thiopyridazine-Based Copper Boratrane Complexes Demonstrating the Z-type Nature of the Ligand.","Inorganic chemistry","2016","55","10","4980","4991","10.1021/acs.inorgchem.6b00464","","","0.71073","MoKα","","0.0355","0.0291","","","0.0732","0.0767","","","","","","1.05","","","","has coordinates,has disorder","232437","2020-10-21","18:00:00",""
"4347676","10.0404","0.0005","13.6851","0.0007","14.7632","0.0007","78.4903","0.0013","81.8808","0.0014","79.6641","0.0015","1943.74","0.17","100","2","100","2","","","","","","","synthetical product","8","P -1","-P 1","2","(acetonitrile)-(2,2',2""-boranetriyltris(6-tert-butylpyridazi- ne-3(2H)-thione))-copper(I) triflate","(acetonitrile)-(2,2',2""-boranetriyltris(6-tert-butylpyridazi- ne-3(2H)-thione))-copper(I) trifluoromethanesulfonate","","- C30 H42 B Cu F3 N7 O3 S4 -","- C30 H42 B Cu F3 N7 O3 S4 -","- C60 H84 B2 Cu2 F6 N14 O6 S8 -","2","1","","Holler, Stefan; Tüchler, Michael; Belaj, Ferdinand; Veiros, Luis F.; Kirchner, Karl; Mösch-Zanetti, Nadia C","Thiopyridazine-Based Copper Boratrane Complexes Demonstrating the Z-type Nature of the Ligand.","Inorganic chemistry","2016","55","10","4980","4991","10.1021/acs.inorgchem.6b00464","","","0.71073","MoKα","","0.0472","0.0323","","","0.0777","0.0833","","","","","","1.031","","","","has coordinates","232437","2020-10-21","18:00:00",""
"4347677","9.6744","0.0003","14.0734","0.0005","14.263","0.0004","106.093","0.0014","93.2862","0.0012","102.747","0.0013","1805.24","0.1","100","2","100","2","","","","","","","synthetical product","6","P -1","-P 1","2","(2,2',2""-boranetriyl-tris(6-tert-butylpyridazine-3(2H)-thione))-(thiocya- nato-N)-copper(I) toluene solvate (2:1)","(2,2',2""-boranetriyl-tris(6-tert-butylpyridazine-3(2H)-thione))-(thiocya- nato-N)-copper(I) toluene solvate (2:1)","","- C63 H86 B2 Cu2 N14 S8 -","- C63 H86 B2 Cu2 N14 S8 -","- C63 H86 B2 Cu2 N14 S8 -","1","0.5","","Holler, Stefan; Tüchler, Michael; Belaj, Ferdinand; Veiros, Luis F.; Kirchner, Karl; Mösch-Zanetti, Nadia C","Thiopyridazine-Based Copper Boratrane Complexes Demonstrating the Z-type Nature of the Ligand.","Inorganic chemistry","2016","55","10","4980","4991","10.1021/acs.inorgchem.6b00464","","","0.71073","MoKα","","0.0369","0.0287","","","0.0725","0.0772","","","","","","1.033","","","","has coordinates,has disorder","232437","2020-10-21","18:00:00",""
"4347678","9.8606","0.0004","19.8005","0.001","18.3543","0.0008","90","","92.2761","0.0014","90","","3580.8","0.3","100","2","100","2","","","","","","","synthetical product","7","P 1 21/c 1","-P 2ybc","14","azido-(2,2',2""-boranetriyl-tris(6-tert-butylpyridazine-3(2H)-thione))-cop- per(I) dichloromethane solvate (2:1)","azido-(2,2',2""-boranetriyl-tris(6-tert-butylpyridazine-3(2H)-thione))-cop- per(I) dichloromethane solvate (2:1)","","- C55 H80 B2 Cl2 Cu2 N18 S6 -","- C55 H80 B2 Cl2 Cu2 N18 S6 -","- C110 H160 B4 Cl4 Cu4 N36 S12 -","2","0.5","","Holler, Stefan; Tüchler, Michael; Belaj, Ferdinand; Veiros, Luis F.; Kirchner, Karl; Mösch-Zanetti, Nadia C","Thiopyridazine-Based Copper Boratrane Complexes Demonstrating the Z-type Nature of the Ligand.","Inorganic chemistry","2016","55","10","4980","4991","10.1021/acs.inorgchem.6b00464","","","0.71073","MoKα","","0.0844","0.0566","","","0.133","0.1429","","","","","","1.087","","","","has coordinates,has disorder","232437","2020-10-21","18:00:00",""
"4347679","9.5053","0.0004","12.4791","0.0006","13.8509","0.0006","105.283","0.002","99.527","0.002","95.101","0.002","1547.76","0.12","100","2","100","2","","","","","","","synthetical product","6","P -1","-P 1","2","azido-(2,2',2""-boranetriyl-tris(6-tert-butylpyrida- zine-3(2H)-thione))-copper(I) acetonitrile solvate (2:1)","azido-(2,2',2""-boranetriyl-tris(6-tert-butylpyrida- zine-3(2H)-thione))-copper(I) acetonitrile solvate (2:1)","","- C50 H69 B2 Cu2 N19 S6 -","- C50 H69 B2 Cu2 N19 S6 -","- C50 H69 B2 Cu2 N19 S6 -","1","0.5","","Holler, Stefan; Tüchler, Michael; Belaj, Ferdinand; Veiros, Luis F.; Kirchner, Karl; Mösch-Zanetti, Nadia C","Thiopyridazine-Based Copper Boratrane Complexes Demonstrating the Z-type Nature of the Ligand.","Inorganic chemistry","2016","55","10","4980","4991","10.1021/acs.inorgchem.6b00464","","","0.71073","MoKα","","0.0563","0.037","","","0.0816","0.0908","","","","","","1.017","","","","has coordinates,has disorder","232437","2020-10-21","18:00:00",""
"4347680","18.217","0.0007","14.396","0.0006","29.2559","0.0013","90","","107.35","0.0011","90","","7323.3","0.5","100","2","100","2","","","","","","","synthetical product","7","C 1 2/c 1","-C 2yc","15","(2,2',2""-boranetriyl-tris(6-tert-butylpyridazine-3(2H)-thione))-(thiocya- nato-N)-copper(I) dichloromethane solvate (1:1)","(2,2',2""-boranetriyl-tris(6-tert-butylpyridazine-3(2H)-thione))-(thiocya- nato-N)-copper(I) dichloromethane solvate (1:1)","","- C29 H41 B Cl2 Cu N7 S4 -","- C29 H41 B Cl2 Cu N7 S4 -","- C232 H328 B8 Cl16 Cu8 N56 S32 -","8","1","","Holler, Stefan; Tüchler, Michael; Belaj, Ferdinand; Veiros, Luis F.; Kirchner, Karl; Mösch-Zanetti, Nadia C","Thiopyridazine-Based Copper Boratrane Complexes Demonstrating the Z-type Nature of the Ligand.","Inorganic chemistry","2016","55","10","4980","4991","10.1021/acs.inorgchem.6b00464","","","0.71073","MoKα","","0.0402","0.0296","","","0.0694","0.0723","","","","","","1.041","","","","has coordinates","232437","2020-10-21","18:00:00",""
"4347681","16.4474","0.0005","11.7992","0.0004","18.4902","0.0005","90","","101.602","0.0011","90","","3515.01","0.19","100","2","100","2","","","","","","","synthetical product","6","P 1 21/c 1","-P 2ybc","14","chloro-2,2'-{(2,2-dimethylpropane-1,3-diyl)bis[nitrilo(E)me- thylylidene]}bis(4,6-di-tert-butyl-phenolato)-oxo-rhenium(V)","chloro-2,2'-{(2,2-dimethylpropane-1,3-diyl)bis[nitrilo(E)me- thylylidene]}bis(4,6-di-tert-butyl-benzenolato)-oxo-rhenium(V)","","- C35 H52 Cl N2 O3 Re -","- C35 H52 Cl N2 O3 Re -","- C140 H208 Cl4 N8 O12 Re4 -","4","1","","Zwettler, Niklas; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Oxidorhenium(V) Complexes with Tetradentate Iminophenolate Ligands: Influence of Ligand Flexibility on the Coordination Motif and Oxygen-Atom-Transfer Activity.","Inorganic chemistry","2016","55","12","5973","5982","10.1021/acs.inorgchem.6b00466","","","0.71073","MoKα","","0.0204","0.0168","","","0.0403","0.0416","","","","","","1.048","","","","has coordinates","232438","2020-10-21","18:00:00",""
"4347682","11.9835","0.0008","12.948","0.0009","13.1585","0.0009","70.315","0.002","81.226","0.002","72.538","0.002","1830.8","0.2","100","2","100","2","","","","","","","synthetical product","6","P -1","-P 1","2","trans chloro-[2,2'-{cyclohexane-1,2-diylbis[nitrilo(E)methylyli- dene]}bis(4,6-di-tert-butyl-phenolato)-N,N',O,O']-oxo-rhenium(V)","trans chloro-[2,2'-{cyclohexane-1,2-diylbis[nitrilo(E)methylyli- dene]}bis(4,6-di-tert-butyl-phenolato)-N,N',O,O']-oxo-rhenium(V)","","- C36 H52 Cl N2 O3 Re -","- C36 H52 Cl N2 O3 Re -","- C72 H104 Cl2 N4 O6 Re2 -","2","1","","Zwettler, Niklas; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Oxidorhenium(V) Complexes with Tetradentate Iminophenolate Ligands: Influence of Ligand Flexibility on the Coordination Motif and Oxygen-Atom-Transfer Activity.","Inorganic chemistry","2016","55","12","5973","5982","10.1021/acs.inorgchem.6b00466","","","0.71073","MoKα","","0.0642","0.045","","","0.0869","0.0913","","","","","","1.142","","","","has coordinates,has disorder","232438","2020-10-21","18:00:00",""
"4347683","10.8495","0.0008","20.5248","0.0016","30.165","0.003","90","","90","","90","","6717.3","1","100","2","100","2","","","","","","","synthetical product","6","P b c a","-P 2ac 2ab","61","trans chloro-oxo-[2,2'-{1,2-phenylenebis[nitrilo(E)methylyli- dene]}bis(4,6-di-tert-butyl-phenolato)-N,N',O,O']-rhenium(V)","trans chloro-oxo-[2,2'-{1,2-phenylenebis[nitrilo(E)methylyli- dene]}bis(4,6-di-tert-butyl-phenolato)-N,N',O,O']-rhenium(V)","","- C36 H46 Cl N2 O3 Re -","- C36 H46 Cl N2 O3 Re -","- C288 H368 Cl8 N16 O24 Re8 -","8","1","","Zwettler, Niklas; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Oxidorhenium(V) Complexes with Tetradentate Iminophenolate Ligands: Influence of Ligand Flexibility on the Coordination Motif and Oxygen-Atom-Transfer Activity.","Inorganic chemistry","2016","55","12","5973","5982","10.1021/acs.inorgchem.6b00466","","","0.71073","MoKα","","0.1301","0.0661","","","0.1071","0.1172","","","","","","1.029","","","","has coordinates,has disorder","232438","2020-10-21","18:00:00",""
"4347684","25.9526","0.0003","15.35706","0.00017","24.5163","0.0003","90","","92.1748","0.0011","90","","9764.1","0.2","173","0.1","173","0.1","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C75 H84 B2 Ce Cl2 Co2 F30 N2 O22 P6 -","- C75 H82 B2 Ce Cl2 Co2 F30 N2 O22 P6 -","- C300 H328 B8 Ce4 Cl8 Co8 F120 N8 O88 P24 -","4","1","","So, Yat-Ming; Li, Yang; Au-Yeung, Ka-Chun; Wang, Guo-Cang; Wong, Kang-Long; Sung, Herman H. Y.; Arnold, Polly L.; Williams, Ian D.; Lin, Zhenyang; Leung, Wa-Hung","Probing the Reactivity of the Ce═O Multiple Bond in a Cerium(IV) Oxo Complex.","Inorganic chemistry","2016","55","20","10003","10012","10.1021/acs.inorgchem.6b00480","","x-ray","1.54184","CuKα","","0.0537","0.0403","","","0.0943","0.1008","","","","","","1.002","","","","has coordinates,has disorder","232439","2020-10-21","18:00:00",""
"4347685","20.2124","0.0003","13.0805","0.0002","23.8267","0.0003","90","","92.096","0.001","90","","6295.29","0.16","172.9","0.3","172.9","0.3","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H76 Ce Co2 F6 O27 P6 S2 -","- C36 H76 Ce Co2 F6 O27 P6 S2 -","- C144 H304 Ce4 Co8 F24 O108 P24 S8 -","4","1","","So, Yat-Ming; Li, Yang; Au-Yeung, Ka-Chun; Wang, Guo-Cang; Wong, Kang-Long; Sung, Herman H. Y.; Arnold, Polly L.; Williams, Ian D.; Lin, Zhenyang; Leung, Wa-Hung","Probing the Reactivity of the Ce═O Multiple Bond in a Cerium(IV) Oxo Complex.","Inorganic chemistry","2016","55","20","10003","10012","10.1021/acs.inorgchem.6b00480","","x-ray","0.7107","MoKα","","0.0663","0.0557","","","0.1448","0.1523","","","","","","1.007","","","","has coordinates,has disorder","232439","2020-10-21","18:00:00",""
"4347686","15.6774","0.0004","24.5363","0.0004","23.7102","0.0007","90","","106.619","0.003","90","","8739.5","0.4","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56.5 H118.5 Ce Co3 N2 Na O30 P9 -","- C56.5 H45 Ce Co3 N2 Na O30 P9 -","- C226 H180 Ce4 Co12 N8 Na4 O120 P36 -","4","1","","So, Yat-Ming; Li, Yang; Au-Yeung, Ka-Chun; Wang, Guo-Cang; Wong, Kang-Long; Sung, Herman H. Y.; Arnold, Polly L.; Williams, Ian D.; Lin, Zhenyang; Leung, Wa-Hung","Probing the Reactivity of the Ce═O Multiple Bond in a Cerium(IV) Oxo Complex.","Inorganic chemistry","2016","55","20","10003","10012","10.1021/acs.inorgchem.6b00480","","x-ray","0.71073","MoKα","","0.0882","0.0655","","","0.1681","0.1835","","","","","","1.004","","","","has coordinates,has disorder","232439","2020-10-21","18:00:00",""
"4347687","15.2055","0.0006","15.2969","0.0006","18.272","0.0008","88.223","0.003","83.785","0.004","65.02","0.004","3829.3","0.3","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H109 Ce Co3 O29 P9 -","- C51 H109 Ce Co3 O29 P9 -","- C102 H218 Ce2 Co6 O58 P18 -","2","1","","So, Yat-Ming; Li, Yang; Au-Yeung, Ka-Chun; Wang, Guo-Cang; Wong, Kang-Long; Sung, Herman H. Y.; Arnold, Polly L.; Williams, Ian D.; Lin, Zhenyang; Leung, Wa-Hung","Probing the Reactivity of the Ce═O Multiple Bond in a Cerium(IV) Oxo Complex.","Inorganic chemistry","2016","55","20","10003","10012","10.1021/acs.inorgchem.6b00480","","x-ray","1.5418","CuKα","","0.0599","0.0452","","","0.0939","0.0995","","","","","","1.001","","","","has coordinates,has disorder","232439","2020-10-21","18:00:00",""
"4347688","13.716","0.001","15.7199","0.0011","16.0275","0.0012","72.713","0.001","79.335","0.001","75.468","0.001","3171.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H176 Cu20 N10 O65 -","- C59 H176 Cu20 N10 O65 -","- C59 H176 Cu20 N10 O65 -","1","0.5","","Chen, Juan; Zhou, Hulan; Xu, Feng","Bottom-Up Self-Assembly of the Sphere-Shaped Icosametallic Oxo Clusters {Cu20} and {Cu12Zn8}.","Inorganic chemistry","2016","55","10","4695","4697","10.1021/acs.inorgchem.6b00487","","","0.71073","MoKα","","0.0798","0.049","","","0.1242","0.1418","","","","","","1.022","","","","has coordinates,has disorder","232440","2020-10-21","18:00:00",""
"4347689","17.3188","0.0014","17.3188","0.0014","17.3188","0.0014","90","","90","","90","","5194.6","0.7","296","2","296","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C37 H106 Cu12 N0 O75 Zn8 -","- C37 H105.84 Cu12 O75.04 Zn8 -","- C74 H211.68 Cu24 O150.08 Zn16 -","2","0.0208333","","Chen, Juan; Zhou, Hulan; Xu, Feng","Bottom-Up Self-Assembly of the Sphere-Shaped Icosametallic Oxo Clusters {Cu20} and {Cu12Zn8}.","Inorganic chemistry","2016","55","10","4695","4697","10.1021/acs.inorgchem.6b00487","","","0.71073","MoKα","","0.0755","0.0723","","","0.2463","0.2518","","","","","","1.045","","","","has coordinates,has disorder","232441","2020-10-21","18:00:00",""
"4347690","16.5194","0.0009","16.5194","0.0009","21.64","0.002","90","","90","","90","","5905.4","0.7","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C53 H168 Cu20 N8 O70 -","- C53 H168 Cu20 N8 O70 -","- C106 H336 Cu40 N16 O140 -","2","0.25","","Chen, Juan; Zhou, Hulan; Xu, Feng","Bottom-Up Self-Assembly of the Sphere-Shaped Icosametallic Oxo Clusters {Cu20} and {Cu12Zn8}.","Inorganic chemistry","2016","55","10","4695","4697","10.1021/acs.inorgchem.6b00487","","","0.71073","MoKα","","0.0497","0.032","","","0.0706","0.0787","","","","","","1.056","","","","has coordinates,has disorder","232442","2020-10-21","18:00:00",""
"4347691","14.292","0.003","8.0306","0.0018","17.404","0.004","90","","111.007","0.002","90","","1864.8","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 N4 O7 S3 -","- C10 H26 N4 O7 S3 -","- C40 H104 N16 O28 S12 -","4","1","","Decken, Andreas; Greer, Scott; Grein, Friedrich; Mailman, Aaron; Mueller, Birgit; Paulose, Tressia A. P.; Passmore, Jack; Rautiainen, J. Mikko; Richardson, Stephanie A.; Schriver, Melbourne J.; Whidden, Thomas K.","Absorption of SO2(g) by TDAE[O2SSO2](s) to Give TDAE[O2SS(O)2SO2](s): Related Reactions of [NR4]2[O2SSO2](s) (R = CH3, C2H5).","Inorganic chemistry","2016","55","12","5999","6009","10.1021/acs.inorgchem.6b00488","","","0.71073","MoKα","","0.0344","0.0282","","","0.0745","0.0805","","","","","","1.059","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347692","6.192","0.003","16.614","0.004","16.832","0.005","90","","96.5","0.03","90","","1720.4","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Cl2 Mg O4 -","- C12 H28 Cl2 Mg O4 -","- C48 H112 Cl8 Mg4 O16 -","4","1","","Sobota, Piotr; Utko, Józef; Lis, Tadeusz; John, Łukasz; Petrus, Rafał; Drąg-Jarząbek, Anna","Unexpected Reactions between Ziegler-Natta Catalyst Components and Structural Characterization of Resulting Intermediates.","Inorganic chemistry","2016","55","9","4636","4642","10.1021/acs.inorgchem.6b00489","","","0.71073","MoKα","","0.0432","0.0345","","","0.0773","0.0816","","","","","","1.062","","","","has coordinates","232444","2020-10-21","18:00:00",""
"4347693","12.248","0.003","27.353","0.006","15.776","0.004","90","","95.97","0.02","90","","5257","2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H81 Cl3 Mg4 O19 Ti3 -","- C30 H81 Cl3 Mg4 O19 Ti3 -","- C120 H324 Cl12 Mg16 O76 Ti12 -","4","1","","Sobota, Piotr; Utko, Józef; Lis, Tadeusz; John, Łukasz; Petrus, Rafał; Drąg-Jarząbek, Anna","Unexpected Reactions between Ziegler-Natta Catalyst Components and Structural Characterization of Resulting Intermediates.","Inorganic chemistry","2016","55","9","4636","4642","10.1021/acs.inorgchem.6b00489","","","0.71073","MoKα","","0.0746","0.0447","","","0.1075","0.1153","","","","","","0.919","","","","has coordinates,has disorder","232444","2020-10-21","18:00:00",""
"4347694","20.172","0.005","19.331","0.005","29.658","0.006","90","","101.69","0.02","90","","11325","5","80","2","80","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H88 Cl3 Mg4 O19.5 Ti3 -","- C33 H88 Cl3 Mg4 O19.5 Ti3 -","- C264 H704 Cl24 Mg32 O156 Ti24 -","8","1","","Sobota, Piotr; Utko, Józef; Lis, Tadeusz; John, Łukasz; Petrus, Rafał; Drąg-Jarząbek, Anna","Unexpected Reactions between Ziegler-Natta Catalyst Components and Structural Characterization of Resulting Intermediates.","Inorganic chemistry","2016","55","9","4636","4642","10.1021/acs.inorgchem.6b00489","","","0.71073","MoKα","","0.0901","0.0593","","","0.1462","0.1652","","","","","","1.031","","","","has coordinates,has disorder","232444","2020-10-21","18:00:00",""
"4347695","9.27","0.003","11.398","0.003","11.664","0.004","71.8","0.05","78.16","0.05","89.3","0.05","1144.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H84 Mg2 O16 Ti2 -","- C32 H84 Mg2 O16 Ti2 -","- C32 H84 Mg2 O16 Ti2 -","1","0.5","","Sobota, Piotr; Utko, Józef; Lis, Tadeusz; John, Łukasz; Petrus, Rafał; Drąg-Jarząbek, Anna","Unexpected Reactions between Ziegler-Natta Catalyst Components and Structural Characterization of Resulting Intermediates.","Inorganic chemistry","2016","55","9","4636","4642","10.1021/acs.inorgchem.6b00489","","","0.71073","MoKα","","0.1452","0.0773","","","0.175","0.2164","","","","","","1.022","","","","has coordinates","232444","2020-10-21","18:00:00",""
"4347696","10.113","0.003","11.781","0.004","11.905","0.004","68.89","0.05","86.47","0.05","70.01","0.05","1240.4","0.9","280","2","280","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H84 Mg2 O16 Ti2 -","- C32 H84 Mg2 O16 Ti2 -","- C32 H84 Mg2 O16 Ti2 -","1","0.5","","Sobota, Piotr; Utko, Józef; Lis, Tadeusz; John, Łukasz; Petrus, Rafał; Drąg-Jarząbek, Anna","Unexpected Reactions between Ziegler-Natta Catalyst Components and Structural Characterization of Resulting Intermediates.","Inorganic chemistry","2016","55","9","4636","4642","10.1021/acs.inorgchem.6b00489","","","0.71073","MoKα","","0.1678","0.084","","","0.2056","0.2845","","","","","","0.982","","","","has coordinates,has disorder","232444","2020-10-21","18:00:00",""
"4347697","12.107","0.002","12.314","0.003","14.175","0.003","111.63","0.03","109.24","0.03","94.39","0.03","1806.9","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H118 Cl2 Mg6 O28 Ti4 -","- C44 H118 Cl2 Mg6 O28 Ti4 -","- C44 H118 Cl2 Mg6 O28 Ti4 -","1","0.5","","Sobota, Piotr; Utko, Józef; Lis, Tadeusz; John, Łukasz; Petrus, Rafał; Drąg-Jarząbek, Anna","Unexpected Reactions between Ziegler-Natta Catalyst Components and Structural Characterization of Resulting Intermediates.","Inorganic chemistry","2016","55","9","4636","4642","10.1021/acs.inorgchem.6b00489","","","0.71073","MoKα","","0.1959","0.0846","","","0.1786","0.2356","","","","","","0.995","","","","has coordinates,has disorder","232444","2020-10-21","18:00:00",""
"4347698","12.571","0.002","13.409","0.003","19.071","0.004","109.995","0.003","100.038","0.003","98.164","0.003","2903.2","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H144 Br4 Cu9 Dy2 N8 O44 -","- C88 H136 Br4 Cu9 Dy2 N8 O44 -","- C88 H136 Br4 Cu9 Dy2 N8 O44 -","1","0.5","","Kühne, Irina A; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","An Undecanuclear Ferrimagnetic Cu9Dy2 Single Molecule Magnet Achieved through Ligand Fine-Tuning.","Inorganic chemistry","2016","55","9","4072","4074","10.1021/acs.inorgchem.6b00490","","","0.71073","MoKα","","0.0815","0.0614","","","0.1527","0.1649","","","","","","1.057","","","","has coordinates,has disorder","232445","2020-10-21","18:00:00",""
"4347699","12.6232","0.0003","13.5258","0.0003","19.1849","0.0004","110.153","0.002","99.826","0.002","98.254","0.002","2956.56","0.13","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H144.76 Br4.24 Cu9 Gd2 N8 O44.5 -","- C88 H134.264 Br4.236 Cu9 Gd2 N8 O44.5 -","- C88 H134.264 Br4.236 Cu9 Gd2 N8 O44.5 -","1","0.5","","Kühne, Irina A; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","An Undecanuclear Ferrimagnetic Cu9Dy2 Single Molecule Magnet Achieved through Ligand Fine-Tuning.","Inorganic chemistry","2016","55","9","4072","4074","10.1021/acs.inorgchem.6b00490","","","0.71073","MoKα","","0.0562","0.0418","","","0.0941","0.0995","","","","","","1.093","","","","has coordinates,has disorder","232446","2020-10-21","18:00:00",""
"4347700","9.6817","0.0016","34.735","0.006","9.6425","0.0016","90","","115.495","0.01","90","","2926.9","0.9","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","capscorp1","capscorp1","","- C26 H42 B Cu F3 N6 O -","- C26 H42 B Cu F3 N6 O -","- C104 H168 B4 Cu4 F12 N24 O4 -","4","1","","Porter, Thomas R.; Capitao, Dany; Kaminsky, Werner; Qian, Zhaoshen; Mayer, James M.","Synthesis, Radical Reactivity, and Thermochemistry of Monomeric Cu(II) Alkoxide Complexes Relevant to Cu/Radical Alcohol Oxidation Catalysis.","Inorganic chemistry","2016","55","11","5467","5475","10.1021/acs.inorgchem.6b00491","","","0.71073","MoKα","","0.0804","0.0435","","","0.0742","0.0855","","","","","","1.008","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347701","10.2492","0.0013","20.261","0.003","15.796","0.002","90","","90.045","0.006","90","","3280.2","0.8","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","tp060512","tp060512","","- C29 H50 B Cu F3 N6 O -","- C29 H50 B Cu F3 N6 O -","- C116 H200 B4 Cu4 F12 N24 O4 -","4","1","","Porter, Thomas R.; Capitao, Dany; Kaminsky, Werner; Qian, Zhaoshen; Mayer, James M.","Synthesis, Radical Reactivity, and Thermochemistry of Monomeric Cu(II) Alkoxide Complexes Relevant to Cu/Radical Alcohol Oxidation Catalysis.","Inorganic chemistry","2016","55","11","5467","5475","10.1021/acs.inorgchem.6b00491","","","0.71073","MoKα","","0.0904","0.0639","","","0.1514","0.1725","","","","","","1.033","","","","has coordinates,has disorder","232450","2020-10-21","18:00:00",""
"4347702","9.6749","0.0012","16.817","0.002","16.646","0.002","90","","96.881","0.006","90","","2688.8","0.6","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","tp051512","tp051512","","- C23 H36 B Cu F3 N6 O -","- C23 H36 B Cu F3 N6 O -","- C92 H144 B4 Cu4 F12 N24 O4 -","4","1","","Porter, Thomas R.; Capitao, Dany; Kaminsky, Werner; Qian, Zhaoshen; Mayer, James M.","Synthesis, Radical Reactivity, and Thermochemistry of Monomeric Cu(II) Alkoxide Complexes Relevant to Cu/Radical Alcohol Oxidation Catalysis.","Inorganic chemistry","2016","55","11","5467","5475","10.1021/acs.inorgchem.6b00491","","","0.71073","MoKα","","0.0343","0.0276","","","0.0701","0.0741","","","","","","1.036","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347703","15.2122","0.0014","12.3292","0.0011","13.8431","0.0012","90","","92.686","0.002","90","","2593.5","0.4","110","1","110","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N8 Th -","- C24 H36 N8 Th -","- C96 H144 N32 Th4 -","4","1","","Browne, Kevin P.; Maerzke, Katie A.; Travia, Nicholas E.; Morris, David E.; Scott, Brian L.; Henson, Neil J.; Yang, Ping; Kiplinger, Jaqueline L.; Veauthier, Jacqueline M.","Synthesis, Characterization, and Density Functional Theory Analysis of Uranium and Thorium Complexes Containing Nitrogen-Rich 5-Methyltetrazolate Ligands.","Inorganic chemistry","2016","55","10","4941","4950","10.1021/acs.inorgchem.6b00492","","","0.71073","MoKα","","0.0332","0.025","","","0.0689","0.0803","","","","","","1.409","","","","has coordinates","232452","2020-10-21","18:00:00",""
"4347704","35.226","0.005","10.8224","0.0014","15.09","0.002","90","","115.12","0.003","90","","5208.7","1.2","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 N8 U -","- C24 H36 N8 U -","- C192 H288 N64 U8 -","8","1","","Browne, Kevin P.; Maerzke, Katie A.; Travia, Nicholas E.; Morris, David E.; Scott, Brian L.; Henson, Neil J.; Yang, Ping; Kiplinger, Jaqueline L.; Veauthier, Jacqueline M.","Synthesis, Characterization, and Density Functional Theory Analysis of Uranium and Thorium Complexes Containing Nitrogen-Rich 5-Methyltetrazolate Ligands.","Inorganic chemistry","2016","55","10","4941","4950","10.1021/acs.inorgchem.6b00492","","","0.71073","MoKα","","0.0359","0.0251","","","0.0664","0.0818","","","","","","1.15","","","","has coordinates","232454","2020-10-21","18:00:00",""
"4347705","11.8667","0.0014","11.6837","0.0014","18.7137","0.0017","90","","109.413","0.006","90","","2447.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Dy2 N14 O18 -","- C34 H46 Dy2 N14 O18 -","- C68 H92 Dy4 N28 O36 -","2","0.5","","Huang, Wei; Shen, Fu-Xing; Wu, Shu-Qi; Liu, Li; Wu, Dayu; Zheng, Zhe; Xu, Jun; Zhang, Ming; Huang, Xing-Cai; Jiang, Jun; Pan, Feifei; Li, Yao; Zhu, Kun; Sato, Osamu","Metallogrid Single-Molecule Magnet: Solvent-Induced Nuclearity Transformation and Magnetic Hysteresis at 16 K.","Inorganic chemistry","2016","55","11","5476","5484","10.1021/acs.inorgchem.6b00500","","","0.71073","MoKα","","0.0397","0.0307","","","0.0993","0.1096","","","","","","1.09","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347706","11.112","0.007","36.81","0.02","61.22","0.04","90","","90","","90","","25041","3","120","2","120","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C94 H116 Dy4 N28 O36 -","- C94 H72 Dy4 N28 O36 -","- C752 H576 Dy32 N224 O288 -","8","0.25","","Huang, Wei; Shen, Fu-Xing; Wu, Shu-Qi; Liu, Li; Wu, Dayu; Zheng, Zhe; Xu, Jun; Zhang, Ming; Huang, Xing-Cai; Jiang, Jun; Pan, Feifei; Li, Yao; Zhu, Kun; Sato, Osamu","Metallogrid Single-Molecule Magnet: Solvent-Induced Nuclearity Transformation and Magnetic Hysteresis at 16 K.","Inorganic chemistry","2016","55","11","5476","5484","10.1021/acs.inorgchem.6b00500","","","0.71073","MoKα","","0.1613","0.0973","","","0.2635","0.3083","","","","","","1","","","","has coordinates","232455","2020-10-21","18:00:00",""
"4347707","10.6665","0.0008","11.9325","0.0009","13.7832","0.0008","95.752","0.005","105.003","0.006","90.677","0.006","1684.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H92 Cu3 N12 O38 V10 -","- C30 H72 Cu3 N12 O38 V10 -","- C30 H72 Cu3 N12 O38 V10 -","1","0.5","","Martín-Caballero, Jagoba; San José Wéry, Ana; Reinoso, Santiago; Artetxe, Beñat; San Felices, Leire; El Bakkali, Bouchra; Trautwein, Guido; Alcañiz-Monge, Juan; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M","A Robust Open Framework Formed by Decavanadate Clusters and Copper(II) Complexes of Macrocyclic Polyamines: Permanent Microporosity and Catalytic Oxidation of Cycloalkanes.","Inorganic chemistry","2016","55","10","4970","4979","10.1021/acs.inorgchem.6b00505","","x-ray","1.54184","CuKα","","0.07","0.0567","","","0.1534","0.1661","","","","","","1.038","","","","has coordinates,has disorder","232456","2020-10-21","18:00:00",""
"4347708","10.6838","0.0003","11.9275","0.0006","13.7285","0.0007","94.433","0.004","104.596","0.003","92.604","0.003","1684.09","0.13","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C30 H72 Cu3 N12 O28 V10 -","- C30 H72 Cu3 N12 O28 V10 -","- C30 H72 Cu3 N12 O28 V10 -","1","0.5","","Martín-Caballero, Jagoba; San José Wéry, Ana; Reinoso, Santiago; Artetxe, Beñat; San Felices, Leire; El Bakkali, Bouchra; Trautwein, Guido; Alcañiz-Monge, Juan; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M","A Robust Open Framework Formed by Decavanadate Clusters and Copper(II) Complexes of Macrocyclic Polyamines: Permanent Microporosity and Catalytic Oxidation of Cycloalkanes.","Inorganic chemistry","2016","55","10","4970","4979","10.1021/acs.inorgchem.6b00505","","x-ray","0.71073","MoKα","","0.0577","0.0396","","","0.0908","0.1026","","","","","","1.044","","","","has coordinates","232456","2020-10-21","18:00:00",""
"4347709","15.5591","0.0003","15.5591","0.0003","13.8922","0.0005","90","","90","","90","","3363.1","0.15","15","2","15","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C24 H56 Co N2 P4 S4 -","- C24 H40 Co N2 P4 S4 -","- C96 H160 Co4 N8 P16 S16 -","4","0.25","","Sottini, Silvia; Poneti, Giordano; Ciattini, Samuele; Levesanos, Nikolaos; Ferentinos, Eleftherios; Krzystek, J.; Sorace, Lorenzo; Kyritsis, Panayotis","Magnetic Anisotropy of Tetrahedral Co<sup>II</sup> Single-Ion Magnets: Solid-State Effects.","Inorganic chemistry","2016","55","19","9537","9548","10.1021/acs.inorgchem.6b00508","","","0.71069","MoKα","","0.0662","0.0477","","","","0.1268","","","","","","1.06","","","","has coordinates,has disorder","232457","2020-10-21","18:00:00",""
"4347710","9.317","0.0003","12.8796","0.0004","16.3511","0.0005","79.229","0.003","78.362","0.003","69.842","0.003","1789.31","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H56 Co N2 P4 Se4 -","- C24 H56 Co N2 P4 Se4 -","- C48 H112 Co2 N4 P8 Se8 -","2","1","","Sottini, Silvia; Poneti, Giordano; Ciattini, Samuele; Levesanos, Nikolaos; Ferentinos, Eleftherios; Krzystek, J.; Sorace, Lorenzo; Kyritsis, Panayotis","Magnetic Anisotropy of Tetrahedral Co<sup>II</sup> Single-Ion Magnets: Solid-State Effects.","Inorganic chemistry","2016","55","19","9537","9548","10.1021/acs.inorgchem.6b00508","","","0.71073","MoKα","","0.0443","0.0313","","","","0.0676","","","","","","1.021","","","","has coordinates","232458","2020-10-21","18:00:00",""
"4347711","15.5878","0.0003","15.5878","0.0003","14.0473","0.0005","90","","90","","90","","3413.21","0.15","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C24 H56 Co N2 P4 S4 -","- C24 H40 Co N2 P4 S4 -","- C96 H160 Co4 N8 P16 S16 -","4","0.25","","Sottini, Silvia; Poneti, Giordano; Ciattini, Samuele; Levesanos, Nikolaos; Ferentinos, Eleftherios; Krzystek, J.; Sorace, Lorenzo; Kyritsis, Panayotis","Magnetic Anisotropy of Tetrahedral Co<sup>II</sup> Single-Ion Magnets: Solid-State Effects.","Inorganic chemistry","2016","55","19","9537","9548","10.1021/acs.inorgchem.6b00508","","","0.71073","MoKα","","0.0673","0.054","","","","0.1507","","","","","","1.045","","","","has coordinates,has disorder","232459","2020-10-21","18:00:00",""
"4347712","9.2646","0.0004","12.8147","0.0005","16.2882","0.0006","79.442","0.003","78.752","0.003","69.885","0.004","1766.73","0.13","15","2","15","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H56 Co N2 P4 Se4 -","- C24 H56 Co N2 P4 Se4 -","- C48 H112 Co2 N4 P8 Se8 -","2","1","","Sottini, Silvia; Poneti, Giordano; Ciattini, Samuele; Levesanos, Nikolaos; Ferentinos, Eleftherios; Krzystek, J.; Sorace, Lorenzo; Kyritsis, Panayotis","Magnetic Anisotropy of Tetrahedral Co<sup>II</sup> Single-Ion Magnets: Solid-State Effects.","Inorganic chemistry","2016","55","19","9537","9548","10.1021/acs.inorgchem.6b00508","","","0.71073","MoKα","","0.0559","0.0382","","","","0.0757","","","","","","0.991","","","","has coordinates","232460","2020-10-21","18:00:00",""
"4347713","19.5906","0.0006","19.5906","0.0006","20.6319","0.0007","90","","90","","90","","7918.4","0.4","123","","123","","","","","","","","see text","7","P -4 21 c","P -4 2n","114","","","","- C28 H41.5 F12 N10.5 O P2 Ru -","- C28 H41.5 F12 N10.5 O P2 Ru -","- C224 H332 F96 N84 O8 P16 Ru8 -","8","1","","Hollering, Manuela; Weiss, Daniel T.; Bitzer, Mario J.; Jandl, Christian; Kühn, Fritz E","Controlling Coordination Geometries: Ru-Carbene Complexes with Tetra-NHC Ligands.","Inorganic chemistry","2016","55","12","6010","6017","10.1021/acs.inorgchem.6b00509","","x-ray","0.71073","MoKα","","0.0998","0.05","","","0.1014","0.1211","","","","","","1.011","","","","has coordinates,has disorder","232461","2020-10-21","18:00:00",""
"4347714","11.8988","0.0016","11.9529","0.0015","16.805","0.002","74.185","0.005","72.066","0.006","61.928","0.005","1983.1","0.4","123","","123","","","","","","","","see text","6","P -1","-P 1","2","","","","- C25 H33 F18 N12 P3 Ru -","- C25 H33 F18 N12 P3 Ru -","- C50 H66 F36 N24 P6 Ru2 -","2","1","","Hollering, Manuela; Weiss, Daniel T.; Bitzer, Mario J.; Jandl, Christian; Kühn, Fritz E","Controlling Coordination Geometries: Ru-Carbene Complexes with Tetra-NHC Ligands.","Inorganic chemistry","2016","55","12","6010","6017","10.1021/acs.inorgchem.6b00509","","x-ray","0.71073","MoKα","","0.0365","0.0347","","","0.0906","0.092","","","","","","1.021","","","","has coordinates,has disorder","232461","2020-10-21","18:00:00",""
"4347715","20.1959","0.0006","26.4637","0.0008","14.6327","0.0004","90","","90","","90","","7820.6","0.4","123","","123","","","","","","","","see text","6","F d d 2","F 2 -2d","43","","","","- C27 H44 F12 N10 P4 Ru -","- C27 H44 F12 N10 P4 Ru -","- C216 H352 F96 N80 P32 Ru8 -","8","0.5","","Hollering, Manuela; Weiss, Daniel T.; Bitzer, Mario J.; Jandl, Christian; Kühn, Fritz E","Controlling Coordination Geometries: Ru-Carbene Complexes with Tetra-NHC Ligands.","Inorganic chemistry","2016","55","12","6010","6017","10.1021/acs.inorgchem.6b00509","","x-ray","0.71073","MoKα","","0.0225","0.0219","","","0.0598","0.0604","","","","","","1.123","","","","has coordinates,has disorder","232461","2020-10-21","18:00:00",""
"4347716","9.3216","0.0004","11.4705","0.0006","17.2077","0.0009","85.474","0.002","87.981","0.002","87.135","0.002","1830.97","0.16","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C27 H38 F12 N10 P2 Ru -","- C27 H38 F12 N10 P2 Ru -","- C54 H76 F24 N20 P4 Ru2 -","2","1","","Hollering, Manuela; Weiss, Daniel T.; Bitzer, Mario J.; Jandl, Christian; Kühn, Fritz E","Controlling Coordination Geometries: Ru-Carbene Complexes with Tetra-NHC Ligands.","Inorganic chemistry","2016","55","12","6010","6017","10.1021/acs.inorgchem.6b00509","","x-ray","0.71073","MoKα","","0.049","0.038","","","0.0925","0.0971","","","","","","1.106","","","","has coordinates,has disorder","232461","2020-10-21","18:00:00",""
"4347717","10.5793","0.0007","23.9678","0.0007","7.2677","0.0002","90","","102.549","0.007","90","","1798.79","0.15","85","2","85","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F3 Fe N4 O5 S -","- C15 H12 F3 Fe N4 O5 S -","- C60 H48 F12 Fe4 N16 O20 S4 -","4","1","","Speelman, Amy L.; Zhang, Bo; Silakov, Alexey; Skodje, Kelsey M.; Alp, E. Ercan; Zhao, Jiyong; Hu, Michael Y.; Kim, Eunsuk; Krebs, Carsten; Lehnert, Nicolai","Unusual Synthetic Pathway for an {Fe(NO)2}(9) Dinitrosyl Iron Complex (DNIC) and Insight into DNIC Electronic Structure via Nuclear Resonance Vibrational Spectroscopy.","Inorganic chemistry","2016","55","11","5485","5501","10.1021/acs.inorgchem.6b00510","","","1.54178","CuKα","","0.1151","0.0992","","","0.2594","0.2923","","","","","","1.089","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347718","8.176","0.003","8.951","0.007","14.978","0.014","101.86","0.14","100.19","0.05","90.38","0.03","1054.8","1.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H12 F3 N2 O8 Re S2 -","- C16 H12 F3 N2 O8 Re S2 -","- C32 H24 F6 N4 O16 Re2 S4 -","2","1","","Carrington, Samantha J.; Chakraborty, Indranil; Bernard, Jenna M. L.; Mascharak, Pradip K.","A Theranostic Two-Tone Luminescent PhotoCORM Derived from Re(I) and (2-Pyridyl)-benzothiazole: Trackable CO Delivery to Malignant Cells.","Inorganic chemistry","2016","55","16","7852","7858","10.1021/acs.inorgchem.6b00511","","","0.71073","MoKα","","0.0326","0.0316","","","0.0947","0.0967","","","","","","0.864","","","","has coordinates","232464","2020-10-21","18:00:00",""
"4347719","27.722","0.003","7.3936","0.0006","21.633","0.002","90","","137.543","0.006","90","","2993.1","0.6","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N5 O13 Pb2 -","- C26 H20 N5 O13 Pb2 -","- C104 H80 N20 O52 Pb8 -","4","0.5","","Aboutorabi, Leila; Morsali, Ali; Tahmasebi, Elham; Büyükgüngor, Orhan","Metal-Organic Framework Based on Isonicotinate N-Oxide for Fast and Highly Efficient Aqueous Phase Cr(VI) Adsorption.","Inorganic chemistry","2016","55","11","5507","5513","10.1021/acs.inorgchem.6b00522","","","0.71073","MoKα","","0.0663","0.0528","","","0.1206","0.1272","","","","","","1.036","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347720","6.1804","0.0002","10.9724","0.0004","16.4113","0.0005","90","","90.271","0.002","90","","1112.9","0.06","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N Si2 -","- C22 H25 N Si2 -","- C44 H50 N2 Si4 -","2","1","","Al-Balushi, Rayya A; Haque, Ashanul; Jayapal, Maharaja; Al-Suti, Mohammed K; Husband, John; Khan, Muhammad S.; Koentjoro, Olivia F.; Molloy, Kieran C.; Skelton, Jonathan M.; Raithby, Paul R.","Experimental and Theoretical Investigation for the Level of Conjugation in Carbazole-Based Precursors and Their Mono-, Di-, and Polynuclear Pt(II) Complexes.","Inorganic chemistry","2016","55","13","6465","6480","10.1021/acs.inorgchem.6b00523","","","0.71073","MoKα","","0.0602","0.0559","","","0.1297","0.1313","","","","","","1.16","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347721","6.3292","0.0002","7.7163","0.0003","43.8439","0.0017","90","","90","","90","","2141.25","0.14","150","","150.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N Si2 -","- C22 H25 N Si2 -","- C88 H100 N4 Si8 -","4","1","","Al-Balushi, Rayya A; Haque, Ashanul; Jayapal, Maharaja; Al-Suti, Mohammed K; Husband, John; Khan, Muhammad S.; Koentjoro, Olivia F.; Molloy, Kieran C.; Skelton, Jonathan M.; Raithby, Paul R.","Experimental and Theoretical Investigation for the Level of Conjugation in Carbazole-Based Precursors and Their Mono-, Di-, and Polynuclear Pt(II) Complexes.","Inorganic chemistry","2016","55","13","6465","6480","10.1021/acs.inorgchem.6b00523","","","0.71073","MoKα","","0.0736","0.0674","","","0.1514","0.1546","","","","","","1.135","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347722","9.5643","0.0003","10.5536","0.0004","11.9787","0.0004","78.149","0.003","81.742","0.003","78.372","0.003","1152.43","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H70 N2 P2 Pt -","- C52 H70 N2 P2 Pt -","- C52 H70 N2 P2 Pt -","1","0.5","","Al-Balushi, Rayya A; Haque, Ashanul; Jayapal, Maharaja; Al-Suti, Mohammed K; Husband, John; Khan, Muhammad S.; Koentjoro, Olivia F.; Molloy, Kieran C.; Skelton, Jonathan M.; Raithby, Paul R.","Experimental and Theoretical Investigation for the Level of Conjugation in Carbazole-Based Precursors and Their Mono-, Di-, and Polynuclear Pt(II) Complexes.","Inorganic chemistry","2016","55","13","6465","6480","10.1021/acs.inorgchem.6b00523","","x-ray","0.71073","MoKα","","0.0329","0.0314","","","0.042","0.0424","","","","","","0.956","","","","has coordinates,has disorder","232467","2020-10-21","18:00:00",""
"4347723","21.0064","0.0003","8.3268","0.0001","30.8889","0.0004","90","","92.058","0.001","90","","5399.48","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","h04prr13","","","- C53 H81 N O P4 Pt2 -","- C53 H81 N O P4 Pt2 -","- C212 H324 N4 O4 P16 Pt8 -","4","1","","Al-Balushi, Rayya A; Haque, Ashanul; Jayapal, Maharaja; Al-Suti, Mohammed K; Husband, John; Khan, Muhammad S.; Koentjoro, Olivia F.; Molloy, Kieran C.; Skelton, Jonathan M.; Raithby, Paul R.","Experimental and Theoretical Investigation for the Level of Conjugation in Carbazole-Based Precursors and Their Mono-, Di-, and Polynuclear Pt(II) Complexes.","Inorganic chemistry","2016","55","13","6465","6480","10.1021/acs.inorgchem.6b00523","","","0.71069","MoKα","","0.0883","0.0529","","","0.1086","0.1189","","","","","","1.052","","","","has coordinates,has disorder","232467","2020-10-21","18:00:00",""
"4347724","31.1358","0.0006","44.3487","0.0008","20.5543","0.0004","90","","90","","90","","28382","0.9","151","1","151","1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C58.8 H41.6 Cl1.6 Ir2 N8 -","- C58.8 H41.6 Cl1.6 Ir2 N8 -","- C1176 H832 Cl32 Ir40 N160 -","20","2.5","","Yao, Su-Yang; Ou, Yan-Ling; Ye, Bao-Hui","Asymmetric Synthesis of Enantiomerically Pure Mono- and Binuclear Bis(cyclometalated) Iridium(III) Complexes.","Inorganic chemistry","2016","55","12","6018","6026","10.1021/acs.inorgchem.6b00527","","x-ray","1.54178","CuKα","","0.0622","0.0552","","","0.145","0.1524","","","","","","1.071","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4347725","23.7369","0.0004","14.0057","0.0002","20.0866","0.0003","90","","97.851","0.002","90","","6615.23","0.18","156","3","156","3","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C63 H50 Cl6 F12 Ir2 N12 P2 -","- C63 H49.25 Cl6 F12 Ir2 N12 P2 -","- C252 H197 Cl24 F48 Ir8 N48 P8 -","4","1","","Yao, Su-Yang; Ou, Yan-Ling; Ye, Bao-Hui","Asymmetric Synthesis of Enantiomerically Pure Mono- and Binuclear Bis(cyclometalated) Iridium(III) Complexes.","Inorganic chemistry","2016","55","12","6018","6026","10.1021/acs.inorgchem.6b00527","","","1.54178","CuKα","","0.0774","0.0764","","","0.1957","0.1986","","","","","","1.034","","","","has coordinates,has disorder","232469","2020-10-21","18:00:00",""
"4347726","8.92212","0.00013","8.92212","0.00013","32.0341","0.0008","90","","90","","90","","2550.05","0.08","150","","150","","","","","","","","","6","P 43","P 4cw","78","","","","- C26 H22 F6 Ir N4 P -","- C26 H22 F6 Ir N4 P -","- C104 H88 F24 Ir4 N16 P4 -","4","1","","Yao, Su-Yang; Ou, Yan-Ling; Ye, Bao-Hui","Asymmetric Synthesis of Enantiomerically Pure Mono- and Binuclear Bis(cyclometalated) Iridium(III) Complexes.","Inorganic chemistry","2016","55","12","6018","6026","10.1021/acs.inorgchem.6b00527","","","1.54178","CuKα","","0.029","0.0279","","","0.064","0.0646","","","","","","1.051","","","","has coordinates","232470","2020-10-21","18:00:00",""
"4347727","19.507","0.002","26.831","0.003","16.223","0.002","90","","90","","90","","8491","1.7","296","2","296","2","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C96 H112 Co3 Dy4 N38 O36 S10 -","- C96 H112 Co3 Dy4 N38 O36 S10 -","- C192 H224 Co6 Dy8 N76 O72 S20 -","2","0.25","","Wu, Jianfeng; Zhao, Lang; Zhang, Li; Li, Xiao-Lei; Guo, Mei; Tang, Jinkui","Metallosupramolecular Coordination Complexes: The Design of Heterometallic 3d-4f Gridlike Structures.","Inorganic chemistry","2016","55","11","5514","5519","10.1021/acs.inorgchem.6b00529","","","0.71073","MoKα","","0.1259","0.0957","","","0.2601","0.2871","","","","","","1.14","","","","has coordinates","232471","2020-10-21","18:00:00",""
"4347728","23.205","0.003","23.205","0.003","34.382","0.005","90","","90","","90","","18514","4","296","2","296","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C92 H104 Cl2 Cu5 Dy4 N36 O36 S8 -","- C92 H68 Cl2 Cu5 Dy4 N36 O36 S8 -","- C368 H272 Cl8 Cu20 Dy16 N144 O144 S32 -","4","0.25","","Wu, Jianfeng; Zhao, Lang; Zhang, Li; Li, Xiao-Lei; Guo, Mei; Tang, Jinkui","Metallosupramolecular Coordination Complexes: The Design of Heterometallic 3d-4f Gridlike Structures.","Inorganic chemistry","2016","55","11","5514","5519","10.1021/acs.inorgchem.6b00529","","","0.71073","MoKα","","0.0984","0.0703","","","0.2124","0.2431","","","","","","1.113","","","","has coordinates","232471","2020-10-21","18:00:00",""
"4347729","24.0282","0.0016","24.0282","0.0016","34.364","0.002","90","","90","","90","","19840","2","273","2","273","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C88 H92 Dy4 N32 O32 S4 Zn4 -","- C88 H92 Dy4 N32 O32 S4 Zn4 -","- C352 H368 Dy16 N128 O128 S16 Zn16 -","4","0.25","","Wu, Jianfeng; Zhao, Lang; Zhang, Li; Li, Xiao-Lei; Guo, Mei; Tang, Jinkui","Metallosupramolecular Coordination Complexes: The Design of Heterometallic 3d-4f Gridlike Structures.","Inorganic chemistry","2016","55","11","5514","5519","10.1021/acs.inorgchem.6b00529","","","0.71073","MoKα","","0.1412","0.0911","","","0.2816","0.3122","","","","","","1.078","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347730","16.8572","0.001","16.8572","0.001","11.9275","0.0008","90","","90","","90","","3389.4","0.4","180","2","180","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C17 H11 N3 O4 Zn -","- C17 H11 N3 O4 Zn -","- C68 H44 N12 O16 Zn4 -","4","0.25","","Kobalz, K.; Kobalz, M.; Möllmer, J; Junghans, U.; Lange, M.; Bergmann, J.; Dietrich, S.; Wecks, M.; Gläser, R; Krautscheid, H.","Bis(carboxyphenyl)-1,2,4-triazole Based Metal-Organic Frameworks: Impact of Metal Ion Substitution on Adsorption Performance.","Inorganic chemistry","2016","55","14","6938","6948","10.1021/acs.inorgchem.6b00530","","","0.71073","MoKα","","0.0686","0.0602","","","0.1623","0.1657","","","","","","1.376","","","","has coordinates,has disorder","232472","2020-10-21","18:00:00",""
"4347731","16.5956","0.0009","16.5956","0.0009","12.2868","0.001","90","","90","","90","","3384","0.4","213","2","213","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C17 H11 Co N3 O4 -","- C17 H11 Co N3 O4 -","- C68 H44 Co4 N12 O16 -","4","0.25","","Kobalz, K.; Kobalz, M.; Möllmer, J; Junghans, U.; Lange, M.; Bergmann, J.; Dietrich, S.; Wecks, M.; Gläser, R; Krautscheid, H.","Bis(carboxyphenyl)-1,2,4-triazole Based Metal-Organic Frameworks: Impact of Metal Ion Substitution on Adsorption Performance.","Inorganic chemistry","2016","55","14","6938","6948","10.1021/acs.inorgchem.6b00530","","","0.71073","MoKα","","0.0541","0.0467","","","0.1394","0.1424","","","","","","1.224","","","","has coordinates,has disorder","232473","2020-10-21","18:00:00",""
"4347732","10.8378","0.0007","13.1095","0.0015","22.4628","0.0018","90","","112.06","0.006","90","","2957.8","0.5","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 N3 O4 Zn -","- C17 H11 N3 O4 Zn -","- C68 H44 N12 O16 Zn4 -","4","1","","Kobalz, K.; Kobalz, M.; Möllmer, J; Junghans, U.; Lange, M.; Bergmann, J.; Dietrich, S.; Wecks, M.; Gläser, R; Krautscheid, H.","Bis(carboxyphenyl)-1,2,4-triazole Based Metal-Organic Frameworks: Impact of Metal Ion Substitution on Adsorption Performance.","Inorganic chemistry","2016","55","14","6938","6948","10.1021/acs.inorgchem.6b00530","","","0.71073","MoKα","","0.0717","0.0611","","","0.1438","0.1477","","","","","","1.009","","","","has coordinates","232474","2020-10-21","18:00:00",""
"4347733","16.6446","0.0016","16.6446","0.0016","11.9628","0.0012","90","","90","","90","","3314.2","0.6","213","2","213","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C17 H11 Cu N3 O4 -","- C17 H11 Cu N3 O4 -","- C68 H44 Cu4 N12 O16 -","4","0.25","","Kobalz, K.; Kobalz, M.; Möllmer, J; Junghans, U.; Lange, M.; Bergmann, J.; Dietrich, S.; Wecks, M.; Gläser, R; Krautscheid, H.","Bis(carboxyphenyl)-1,2,4-triazole Based Metal-Organic Frameworks: Impact of Metal Ion Substitution on Adsorption Performance.","Inorganic chemistry","2016","55","14","6938","6948","10.1021/acs.inorgchem.6b00530","","","0.71073","MoKα","","0.068","0.0543","","","0.1403","0.1436","","","","","","1.105","","","","has coordinates,has disorder","232475","2020-10-21","18:00:00",""
"4347734","10.6446","0.0008","13.9646","0.0011","21.3349","0.0019","90","","99.797","0.007","90","","3125.1","0.4","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Co N3 O4 -","- C17 H11 Co N3 O4 -","- C68 H44 Co4 N12 O16 -","4","1","","Kobalz, K.; Kobalz, M.; Möllmer, J; Junghans, U.; Lange, M.; Bergmann, J.; Dietrich, S.; Wecks, M.; Gläser, R; Krautscheid, H.","Bis(carboxyphenyl)-1,2,4-triazole Based Metal-Organic Frameworks: Impact of Metal Ion Substitution on Adsorption Performance.","Inorganic chemistry","2016","55","14","6938","6948","10.1021/acs.inorgchem.6b00530","","","0.71073","MoKα","","0.0795","0.0569","","","0.1345","0.1397","","","","","","0.879","","","","has coordinates","232476","2020-10-21","18:00:00",""
"4347735","11.3","0.002","11.661","0.002","16.564","0.003","105.194","0.006","100.584","0.006","94.306","0.006","2053","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Cl4 N2 Pd -","- C17 H21 Cl4 N2 Pd -","- C68 H84 Cl16 N8 Pd4 -","4","2","","Frutos-Pedreño, Roberto; García-Sánchez, Eva; Oliva-Madrid, María José; Bautista, Delia; Martínez-Viviente, Eloísa; Saura-Llamas, Isabel; Vicente, José","C-H Activation in Primary 3-Phenylpropylamines: Synthesis of Seven-Membered Palladacycles through Orthometalation. Stoichiometric Preparation of Benzazepinones and Catalytic Synthesis of Ureas.","Inorganic chemistry","2016","55","11","5520","5533","10.1021/acs.inorgchem.6b00542","","","0.71073","MoKα","","0.0556","0.0444","","","0.0908","0.0944","","","","","","1.163","","","","has coordinates,has disorder","232477","2020-10-21","18:00:00",""
"4347736","9.547","0.003","12.747","0.004","22.341","0.006","85.171","0.007","79.073","0.004","74.511","0.004","2570.9","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 Cl N P Pd -","- C28 H28.817 Cl N P Pd -","- C112 H115.268 Cl4 N4 P4 Pd4 -","4","2","","Frutos-Pedreño, Roberto; García-Sánchez, Eva; Oliva-Madrid, María José; Bautista, Delia; Martínez-Viviente, Eloísa; Saura-Llamas, Isabel; Vicente, José","C-H Activation in Primary 3-Phenylpropylamines: Synthesis of Seven-Membered Palladacycles through Orthometalation. Stoichiometric Preparation of Benzazepinones and Catalytic Synthesis of Ureas.","Inorganic chemistry","2016","55","11","5520","5533","10.1021/acs.inorgchem.6b00542","","","0.71073","MoKα","","0.0735","0.0544","","","0.0972","0.1036","","","","","","1.101","","","","has coordinates,has disorder","232477","2020-10-21","18:00:00",""
"4347737","24.6928","0.0011","10.1025","0.0005","23.9981","0.0011","90","","118.659","0.0014","90","","5253.1","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H32 Cl N O0.5 P Pd -","- C29 H32 Cl N O0.5 P Pd -","- C232 H256 Cl8 N8 O4 P8 Pd8 -","8","1","","Frutos-Pedreño, Roberto; García-Sánchez, Eva; Oliva-Madrid, María José; Bautista, Delia; Martínez-Viviente, Eloísa; Saura-Llamas, Isabel; Vicente, José","C-H Activation in Primary 3-Phenylpropylamines: Synthesis of Seven-Membered Palladacycles through Orthometalation. Stoichiometric Preparation of Benzazepinones and Catalytic Synthesis of Ureas.","Inorganic chemistry","2016","55","11","5520","5533","10.1021/acs.inorgchem.6b00542","","","0.71073","MoKα","","0.0322","0.0238","","","0.0538","0.0568","","","","","","1.048","","","","has coordinates","232477","2020-10-21","18:00:00",""
"4347738","8.8419","0.0006","12.3612","0.0008","10.1092","0.0006","90","","108.917","0.002","90","","1045.22","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","1","","Frutos-Pedreño, Roberto; García-Sánchez, Eva; Oliva-Madrid, María José; Bautista, Delia; Martínez-Viviente, Eloísa; Saura-Llamas, Isabel; Vicente, José","C-H Activation in Primary 3-Phenylpropylamines: Synthesis of Seven-Membered Palladacycles through Orthometalation. Stoichiometric Preparation of Benzazepinones and Catalytic Synthesis of Ureas.","Inorganic chemistry","2016","55","11","5520","5533","10.1021/acs.inorgchem.6b00542","","","0.71073","MoKα","","0.0486","0.0394","","","0.1013","0.1063","","","","","","1.046","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347739","17.762","0.004","11.798","0.003","19.524","0.004","90","","113.735","0.002","90","","3745.3","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Cl4 Li N7 U -","- C35 H35 Cl4 Li N7 U -","- C140 H140 Cl16 Li4 N28 U4 -","4","1","","Winston, Matthew S.; Batista, Enrique R.; Yang, Ping; Tondreau, Aaron M.; Boncella, James M.","Extending Stannyl Anion Chemistry to the Actinides: Synthesis and Characterization of a Uranium-Tin Bond.","Inorganic chemistry","2016","55","11","5534","5539","10.1021/acs.inorgchem.6b00543","","","0.71073","MoKα","","0.0785","0.0645","","","0.158","0.1629","","","","","","1.278","","","","has coordinates","232478","2020-10-21","18:00:00",""
"4347740","10.6634","0.0007","24.0575","0.0016","18.0413","0.0012","90","","100.015","0.001","90","","4557.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H84 N4 Si3 Sn U -","- C36 H84 N4 Si3 Sn U -","- C144 H336 N16 Si12 Sn4 U4 -","4","1","","Winston, Matthew S.; Batista, Enrique R.; Yang, Ping; Tondreau, Aaron M.; Boncella, James M.","Extending Stannyl Anion Chemistry to the Actinides: Synthesis and Characterization of a Uranium-Tin Bond.","Inorganic chemistry","2016","55","11","5534","5539","10.1021/acs.inorgchem.6b00543","","","0.71073","MoKα","","0.0311","0.0265","","","0.064","0.0663","","","","","","1.032","","","","has coordinates","232479","2020-10-21","18:00:00",""
"4347741","16.2749","0.0006","13.4409","0.0006","13.0094","0.0004","90","","95.628","0.002","90","","2832.08","0.19","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H20 F6 N4 -","- C37 H20 F6 N4 -","- C148 H80 F24 N16 -","4","1","","Vestfrid, Jenya; Kothari, Rashmi; Kostenko, Arseni; Goldberg, Israel; Tumanskii, Boris; Gross, Zeev","Intriguing Physical and Chemical Properties of Phosphorus Corroles.","Inorganic chemistry","2016","55","12","6061","6067","10.1021/acs.inorgchem.6b00544","","","0.71073","MoKα","","0.0684","0.0437","","","0.0941","0.1064","","","","","","1.02","","","","has coordinates","232480","2020-10-21","18:00:00",""
"4347742","15.8026","0.0007","12.6026","0.0005","16.458","0.0007","90","","101.942","0.002","90","","3206.7","0.2","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H19 Cl2 F8 N4 P -","- C38 H19 Cl2 F8 N4 P -","- C152 H76 Cl8 F32 N16 P4 -","4","1","","Vestfrid, Jenya; Kothari, Rashmi; Kostenko, Arseni; Goldberg, Israel; Tumanskii, Boris; Gross, Zeev","Intriguing Physical and Chemical Properties of Phosphorus Corroles.","Inorganic chemistry","2016","55","12","6061","6067","10.1021/acs.inorgchem.6b00544","","","0.71073","MoKα","","0.056","0.0396","","","0.0912","0.1001","","","","","","1.013","","","","has coordinates","232481","2020-10-21","18:00:00",""
"4347743","19.667","0.0014","12.45","0.001","13.7064","0.0009","90","","106.074","0.003","90","","3224.9","0.4","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H21 Cl2 F6 N4 O2 P -","- C38 H21 Cl2 F6 N4 O2 P -","- C152 H84 Cl8 F24 N16 O8 P4 -","4","1","","Vestfrid, Jenya; Kothari, Rashmi; Kostenko, Arseni; Goldberg, Israel; Tumanskii, Boris; Gross, Zeev","Intriguing Physical and Chemical Properties of Phosphorus Corroles.","Inorganic chemistry","2016","55","12","6061","6067","10.1021/acs.inorgchem.6b00544","","","0.71073","MoKα","","0.0721","0.051","","","0.1306","0.1416","","","","","","1.034","","","","has coordinates","232482","2020-10-21","18:00:00",""
"4347744","16.3119","0.0004","15.64","0.0004","13.7885","0.0003","90","","95.9","0.001","90","","3499.06","0.15","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H10 Cl2 F17 N4 P -","- C38 H10 Cl2 F17 N4 P -","- C152 H40 Cl8 F68 N16 P4 -","4","1","","Vestfrid, Jenya; Kothari, Rashmi; Kostenko, Arseni; Goldberg, Israel; Tumanskii, Boris; Gross, Zeev","Intriguing Physical and Chemical Properties of Phosphorus Corroles.","Inorganic chemistry","2016","55","12","6061","6067","10.1021/acs.inorgchem.6b00544","","","0.71073","MoKα","","0.0617","0.0546","","","0.1287","0.1432","","","","","","1.022","","","","has coordinates,has disorder","232483","2020-10-21","18:00:00",""
"4347745","9.666","0.002","15.854","0.004","18.056","0.003","84.955","0.012","83.52","0.03","88.33","0.02","2738.1","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H74 Cl3 Co N2 O8 -","- C56.02 H59 Cl3 Co N2 O8 -","- C112.04 H118 Cl6 Co2 N4 O16 -","2","1","","Garai, Aditya; Pant, Ila; Banerjee, Samya; Banik, Bhabatosh; Kondaiah, Paturu; Chakravarty, Akhil R.","Photorelease and Cellular Delivery of Mitocurcumin from Its Cytotoxic Cobalt(III) Complex in Visible Light.","Inorganic chemistry","2016","55","12","6027","6035","10.1021/acs.inorgchem.6b00554","","","0.71073","MoKα","","0.1777","0.0945","","","0.2496","0.3024","","","","","","1.042","","","","has coordinates","232484","2020-10-21","18:00:00",""
"4347746","29.0982","0.0007","7.3725","0.0002","22.3171","0.0005","90","","125.121","0.001","90","","3915.97","0.17","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Au N2 O P S8 -","- C36 H34 Au N2 O P S8 -","- C144 H136 Au4 N8 O4 P4 S32 -","4","0.5","","Filatre-Furcate, Agathe; Bellec, Nathalie; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc; Íñiguez, Jorge; Canadell, Enric; Brière, Benjamin; Ta Phuoc, Vinh; Lorcy, Dominique","Single-Component Conductors: A Sturdy Electronic Structure Generated by Bulky Substituents.","Inorganic chemistry","2016","55","12","6036","6046","10.1021/acs.inorgchem.6b00556","","x-ray","0.71073","MoKα","","0.02","0.0169","","","0.039","0.0406","","","","","","1.05","","","","has coordinates","232485","2020-10-21","18:00:00",""
"4347747","6.9668","0.0006","12.8949","0.001","21.2391","0.0013","90","","92.757","0.004","90","","1905.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Au N2 S8 -","- C12 H14 Au N2 S8 -","- C48 H56 Au4 N8 S32 -","4","1","","Filatre-Furcate, Agathe; Bellec, Nathalie; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc; Íñiguez, Jorge; Canadell, Enric; Brière, Benjamin; Ta Phuoc, Vinh; Lorcy, Dominique","Single-Component Conductors: A Sturdy Electronic Structure Generated by Bulky Substituents.","Inorganic chemistry","2016","55","12","6036","6046","10.1021/acs.inorgchem.6b00556","","x-ray","0.71073","MoKα","","0.0532","0.0315","","","0.0596","0.0645","","","","","","1.067","","","","has coordinates","232485","2020-10-21","18:00:00",""
"4347748","11.351","0.0002","17.596","0.0004","8.701","0.0002","90","","115.431","0.0013","90","","1569.48","0.06","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C3 H18 Cl La N O13 P3 -","- C3 H18 Cl La N O13 P3 -","- C12 H72 Cl4 La4 N4 O52 P12 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","","","0.71073","MoKα","","0.0219","0.0207","","","0.0453","0.0458","","","","","","1.086","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347749","14.3006","0.0005","18.5342","0.0005","12.466","0.0004","90","","115.519","0.0018","90","","2981.77","0.17","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 Ce2 N2 O26.5 P6 -","- C6 Ce2 N2 O26.5 P6 -","- C24 Ce8 N8 O106 P24 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.05631","","1.77","","","","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347750","11.2998","0.0008","17.7086","0.0012","8.6894","0.0006","90","","115.83","0.002","90","","1565.06","0.19","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C3 H18 Cl N O13 P3 Pr -","- C3 H14 Cl N O13 P3 Pr -","- C12 H56 Cl4 N4 O52 P12 Pr4 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","","","1.54178","CuKα","","0.0596","0.0594","","","0.1593","0.1596","","","","","","1.098","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347751","11.21377","0.00032","17.64156","0.0003","8.60123","0.00032","90","","115.41","0.0022","90","","1536.96","0.08","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 Cl N O13 P3 Sm -","- C3 Cl N O13 P3 Sm -","- C12 Cl4 N4 O52 P12 Sm4 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","0.17854","","2.02","","","","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347752","11.17342","0.00021","17.6294","0.0004","8.56995","0.0002","90","","115.416","0.0015","90","","1524.73","0.06","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 Cl Gd N O13 P3 -","- C3 Cl Gd N O13 P3 -","- C12 Cl4 Gd4 N4 O52 P12 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","0.09988","","1.79","","","","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347753","11.14639","0.00021","17.63006","0.00021","8.5503","0.00019","90","","115.44","0.0013","90","","1517.3","0.05","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 Cl N O13 P3 Tb -","- C3 Cl N O13 P3 Tb -","- C12 Cl4 N4 O52 P12 Tb4 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","0.12584","","1.79","","","","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347754","11.12049","0.00026","17.6102","0.0004","8.53243","0.00014","90","","115.4","0.0011","90","","1509.42","0.06","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 Cl Dy N O13 P3 -","- C3 Cl Dy N O13 P3 -","- C12 Cl4 Dy4 N4 O52 P12 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","0.17779","","1.78","","","","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347755","11.06","0.0006","17.416","0.0008","8.4728","0.0004","90","","115.157","0.001","90","","1477.23","0.13","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C3 H18 Cl Ho N O13 P3 -","- C3 H18 Cl Ho N O13 P3 -","- C12 H72 Cl4 Ho4 N4 O52 P12 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","","","0.71073","MoKα","","0.014","0.014","","","0.0397","0.0397","","","","","","1.159","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347756","11.19274","0.00028","17.6396","0.0004","8.58663","0.00027","90","","115.452","0.0015","90","","1530.77","0.07","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 Cl Eu N O13 P3 -","- C3 Cl Eu N O13 P3 -","- C12 Cl4 Eu4 N4 O52 P12 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.06714","","1.47","","","","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347757","22.594","0.005","9.2189","0.0018","12.461","0.003","90","","101.59","0.03","90","","2542.6","1","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C19 H22 Mn N2 O7 S6 -","- C19 H10 Mn N2 O7 S6 -","- C76 H40 Mn4 N8 O28 S24 -","4","0.5","","Huo, Peng; Chen, Ting; Hou, Jin-Le; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Ligand-to-Ligand Charge Transfer within Metal-Organic Frameworks Based on Manganese Coordination Polymers with Tetrathiafulvalene-Bicarboxylate and Bipyridine Ligands.","Inorganic chemistry","2016","55","13","6496","6503","10.1021/acs.inorgchem.6b00571","","","0.71073","MoKα","","0.0971","0.0802","","","0.1577","0.1658","","","","","","0.982","","","","has coordinates","232487","2020-10-21","18:00:00",""
"4347758","16.022","0.003","8.5321","0.0017","21.559","0.004","90","","94.31","0.03","90","","2938.8","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Mn N2 O7 S6 -","- C22 H18 Mn N2 O7 S6 -","- C88 H72 Mn4 N8 O28 S24 -","4","1","","Huo, Peng; Chen, Ting; Hou, Jin-Le; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Ligand-to-Ligand Charge Transfer within Metal-Organic Frameworks Based on Manganese Coordination Polymers with Tetrathiafulvalene-Bicarboxylate and Bipyridine Ligands.","Inorganic chemistry","2016","55","13","6496","6503","10.1021/acs.inorgchem.6b00571","","","0.71073","MoKα","","0.1161","0.0955","","","0.1638","0.1752","","","","","","1.055","","","","has coordinates","232487","2020-10-21","18:00:00",""
"4347759","16.2","0.03","16.2","0.03","6.93","0.013","90","","90","","90","","1819","6","296","2","296.15","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","","","- C8 H10 Ge N2 -","- C8 H10 Ge N2 -","- C64 H80 Ge8 N16 -","8","0.5","","Aysin, R. R.; Leites, L. A.; Bukalov, S. S.; Zabula, A. V.; West, R.","Molecular Structures of N,N'-Dimethylbenzimidazoline-2-germylene and -stannylene in Solution and in Solid State by Means of Optical (Raman and UV-vis) Spectroscopy and Quantum Chemistry Methods.","Inorganic chemistry","2016","55","10","4698","4700","10.1021/acs.inorgchem.6b00572","","","0.71073","MoKα","","0.0339","0.0305","","","0.0763","0.0774","","","","","","1.235","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347760","21.082","0.002","21.082","0.002","11.5882","0.0012","90","","90","","90","","5150.4","0.9","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","2(thf)","","","- C28 H30 N2 P2 Sn -","- C28 H30 N2 P2 Sn -","- C224 H240 N16 P16 Sn8 -","8","0.5","","Arras, Janet; Eichele, Klaus; Maryasin, Boris; Schubert, Hartmut; Ochsenfeld, Christian; Wesemann, Lars","Intermolecular (119)Sn,(31)P Through-Space Spin-Spin Coupling in a Solid Bivalent Tin Phosphido Complex.","Inorganic chemistry","2016","55","9","4669","4675","10.1021/acs.inorgchem.6b00573","","","0.71073","MoKα","","0.0278","0.0175","","","0.0268","0.0279","","","","","","1.142","","","","has coordinates","232489","2020-10-21","18:00:00",""
"4347761","14.8396","0.0003","14.8396","0.0003","11.7863","0.0003","90","","90","","90","","2595.51","0.1","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","2(hex)","","","- C28 H30 N2 P2 Sn -","- C28 H30 N2 P2 Sn -","- C112 H120 N8 P8 Sn4 -","4","0.5","","Arras, Janet; Eichele, Klaus; Maryasin, Boris; Schubert, Hartmut; Ochsenfeld, Christian; Wesemann, Lars","Intermolecular (119)Sn,(31)P Through-Space Spin-Spin Coupling in a Solid Bivalent Tin Phosphido Complex.","Inorganic chemistry","2016","55","9","4669","4675","10.1021/acs.inorgchem.6b00573","","","0.71073","MoKα","","0.0358","0.0284","","","0.0585","0.0612","","","","","","1.124","","","","has coordinates","232489","2020-10-21","18:00:00",""
"4347762","25.6462","0.0001","25.6462","0.0001","25.6573","0.0002","90","","90","","120","","14614.6","0.14","100","0.2","100","0.2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C162 H234 N36 O54 Zn9 -","- C162 H234 N36 O54 Zn9 -","- C324 H468 N72 O108 Zn18 -","2","0.333333","","Wu, Xin; Xu, Zhong-Xuan; Wang, Fei; Zhang, Jian","Catenation of Homochiral Metal-Organic Nanocages or Nanotubes.","Inorganic chemistry","2016","55","11","5095","5097","10.1021/acs.inorgchem.6b00574","","","1.54178","CuKα","","0.093","0.089","","","0.2545","0.2627","","","","","","1.013","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347763","17.3386","0.0003","22.809","0.0005","24.6996","0.0007","90","","90","","90","","9768.1","0.4","293","2","293","2","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C48 H62 N12 O18 Zn3 -","- C48 H62 N12 O18 Zn3 -","- C192 H248 N48 O72 Zn12 -","4","0.5","","Wu, Xin; Xu, Zhong-Xuan; Wang, Fei; Zhang, Jian","Catenation of Homochiral Metal-Organic Nanocages or Nanotubes.","Inorganic chemistry","2016","55","11","5095","5097","10.1021/acs.inorgchem.6b00574","","","1.54178","CuKα","","0.0885","0.0733","","","0.2133","0.229","","","","","","1.064","","","","has coordinates","232490","2020-10-21","18:00:00",""
"4347764","10.4237","0.0013","14.7281","0.0017","25.599","0.003","81.665","0.002","82.26","0.003","71.667","0.003","3674.5","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H61 N4 O20.5 Si2 U2 -","- C78 H57 N4 O20.5 Si2 U2 -","- C156 H114 N8 O41 Si4 U4 -","2","1","","Liu, Chao; Gao, Chao-Ying; Yang, Weiting; Chen, Fang-Yuan; Pan, Qing-Jiang; Li, Jiyang; Sun, Zhong-Ming","Entangled Uranyl Organic Frameworks with (10,3)-b Topology and Polythreading Network: Structure, Luminescence, and Computational Investigation.","Inorganic chemistry","2016","55","11","5540","5548","10.1021/acs.inorgchem.6b00582","","","0.71073","MoKα","","0.0781","0.0544","","","0.1414","0.1568","","","","","","1.052","","","","has coordinates,has disorder","232491","2020-10-21","18:00:00",""
"4347765","7.263","0.003","24.54","0.01","17.718","0.007","90","","90.726","0.009","90","","3158","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H54 O28 Si2 U3 -","- C54 H50 O27.238 Si2 U3 -","- C108 H100 O54.476 Si4 U6 -","2","0.5","","Liu, Chao; Gao, Chao-Ying; Yang, Weiting; Chen, Fang-Yuan; Pan, Qing-Jiang; Li, Jiyang; Sun, Zhong-Ming","Entangled Uranyl Organic Frameworks with (10,3)-b Topology and Polythreading Network: Structure, Luminescence, and Computational Investigation.","Inorganic chemistry","2016","55","11","5540","5548","10.1021/acs.inorgchem.6b00582","","","0.71073","MoKα","","0.0504","0.04","","","0.0965","0.1027","","","","","","1.065","","","","has coordinates","232491","2020-10-21","18:00:00",""
"4347766","19.144","0.0005","8.5429","0.0002","17.2441","0.0005","90","","105.945","0.003","90","","2711.69","0.13","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 B13 Ga O29 Y2 -","- C4 H10 B13 Ga O29 Y2 -","- C16 H40 B52 Ga4 O116 Y8 -","4","0.5","","Yang, Hui; Hu, Chun-Li; Mao, Jiang-Gao","Ln2Ga[B3O6(OH)]2[B7O9(OH)2](CH3CO2)2 (Ln = Y, Sm, Eu, Gd, Dy): A Series of Lanthanide Galloborates Decorated by Acetate Anions.","Inorganic chemistry","2016","55","12","6051","6060","10.1021/acs.inorgchem.6b00584","","","1.54178","CuKα","","0.0701","0.0668","","","0.153","0.1583","","","","","","1.145","","","","has coordinates","232492","2020-10-21","18:00:00",""
"4347767","19.323","0.016","8.608","0.007","17.301","0.015","90","","105.566","0.014","90","","2772","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 B13 Ga O29 Sm2 -","- C4 H10 B13 Ga O29 Sm2 -","- C16 H40 B52 Ga4 O116 Sm8 -","4","0.5","","Yang, Hui; Hu, Chun-Li; Mao, Jiang-Gao","Ln2Ga[B3O6(OH)]2[B7O9(OH)2](CH3CO2)2 (Ln = Y, Sm, Eu, Gd, Dy): A Series of Lanthanide Galloborates Decorated by Acetate Anions.","Inorganic chemistry","2016","55","12","6051","6060","10.1021/acs.inorgchem.6b00584","","","0.71073","MoKα","","0.0485","0.0414","","","0.1037","0.1089","","","","","","1.026","","","","has coordinates","232492","2020-10-21","18:00:00",""
"4347768","19.2923","0.0016","8.5902","0.0006","17.2909","0.0016","90","","105.636","0.01","90","","2759.5","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 B13 Eu2 Ga O29 -","- C4 H10 B13 Eu2 Ga O29 -","- C16 H40 B52 Eu8 Ga4 O116 -","4","0.5","","Yang, Hui; Hu, Chun-Li; Mao, Jiang-Gao","Ln2Ga[B3O6(OH)]2[B7O9(OH)2](CH3CO2)2 (Ln = Y, Sm, Eu, Gd, Dy): A Series of Lanthanide Galloborates Decorated by Acetate Anions.","Inorganic chemistry","2016","55","12","6051","6060","10.1021/acs.inorgchem.6b00584","","","0.71073","MoKα","","0.0476","0.0393","","","0.0929","0.0984","","","","","","1.069","","","","has coordinates","232492","2020-10-21","18:00:00",""
"4347769","19.218","0.0012","8.5773","0.0005","17.2658","0.0015","90","","105.733","0.008","90","","2739.4","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 B13 Ga Gd2 O29 -","- C4 H10 B13 Ga Gd2 O29 -","- C16 H40 B52 Ga4 Gd8 O116 -","4","0.5","","Yang, Hui; Hu, Chun-Li; Mao, Jiang-Gao","Ln2Ga[B3O6(OH)]2[B7O9(OH)2](CH3CO2)2 (Ln = Y, Sm, Eu, Gd, Dy): A Series of Lanthanide Galloborates Decorated by Acetate Anions.","Inorganic chemistry","2016","55","12","6051","6060","10.1021/acs.inorgchem.6b00584","","","0.71073","MoKα","","0.0505","0.0361","","","0.0623","0.0694","","","","","","0.977","","","","has coordinates","232492","2020-10-21","18:00:00",""
"4347770","19.1779","0.0004","8.5481","0.0001","17.2497","0.0003","90","","105.882","0.002","90","","2719.88","0.08","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 B13 Dy2 Ga O29 -","- C4 H10 B13 Dy2 Ga O29 -","- C16 H40 B52 Dy8 Ga4 O116 -","4","0.5","","Yang, Hui; Hu, Chun-Li; Mao, Jiang-Gao","Ln2Ga[B3O6(OH)]2[B7O9(OH)2](CH3CO2)2 (Ln = Y, Sm, Eu, Gd, Dy): A Series of Lanthanide Galloborates Decorated by Acetate Anions.","Inorganic chemistry","2016","55","12","6051","6060","10.1021/acs.inorgchem.6b00584","","","1.54178","CuKα","","0.0199","0.0181","","","0.0449","0.0459","","","","","","1.073","","","","has coordinates","232492","2020-10-21","18:00:00",""
"4347771","11.3437","0.0003","12.0582","0.0003","13.303","0.0004","106.838","0.002","106.73","0.002","107.369","0.001","1516.24","0.08","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H32 N P -","- C40 H32 N P -","- C80 H64 N2 P2 -","2","1","","Younis, Fadi M.; Krieck, Sven; Al-Shboul, Tareq M A; Görls, Helmar; Westerhausen, Matthias","Calcium-Mediated Catalytic Synthesis of 1-(Diorganylamino)-1,4-diphenyl-4-(diphenylphosphanyl)buta-1,3-dienes.","Inorganic chemistry","2016","55","9","4676","4682","10.1021/acs.inorgchem.6b00586","","","0.71073","MoKα","","0.0882","0.0706","","","0.148","0.1625","","","","","","1.067","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347772","9.7193","0.0003","12.8184","0.0003","13.9702","0.0004","112.076","0.002","97.104","0.001","106.481","0.002","1493.78","0.08","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H32 N P -","- C40 H32 N P -","- C80 H64 N2 P2 -","2","1","","Younis, Fadi M.; Krieck, Sven; Al-Shboul, Tareq M A; Görls, Helmar; Westerhausen, Matthias","Calcium-Mediated Catalytic Synthesis of 1-(Diorganylamino)-1,4-diphenyl-4-(diphenylphosphanyl)buta-1,3-dienes.","Inorganic chemistry","2016","55","9","4676","4682","10.1021/acs.inorgchem.6b00586","","","0.71073","MoKα","","0.0643","0.0518","","","0.1214","0.1333","","","","","","1.052","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347773","5.9393","0.0001","16.9941","0.0005","27.4012","0.0008","90","","90","","90","","2765.69","0.12","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H30 N P -","- C35 H30 N P -","- C140 H120 N4 P4 -","4","1","","Younis, Fadi M.; Krieck, Sven; Al-Shboul, Tareq M A; Görls, Helmar; Westerhausen, Matthias","Calcium-Mediated Catalytic Synthesis of 1-(Diorganylamino)-1,4-diphenyl-4-(diphenylphosphanyl)buta-1,3-dienes.","Inorganic chemistry","2016","55","9","4676","4682","10.1021/acs.inorgchem.6b00586","","","0.71073","MoKα","","0.0762","0.0577","","","0.1053","0.1123","","","","","","1.153","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347774","6.0756","0.0002","18.8919","0.0005","12.6638","0.0004","90","","101.55","0.002","90","","1424.11","0.08","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H32 N P -","- C36 H32 N P -","- C72 H64 N2 P2 -","2","1","","Younis, Fadi M.; Krieck, Sven; Al-Shboul, Tareq M A; Görls, Helmar; Westerhausen, Matthias","Calcium-Mediated Catalytic Synthesis of 1-(Diorganylamino)-1,4-diphenyl-4-(diphenylphosphanyl)buta-1,3-dienes.","Inorganic chemistry","2016","55","9","4676","4682","10.1021/acs.inorgchem.6b00586","","","0.71073","MoKα","","0.1018","0.0755","","","0.1354","0.1495","","","","","","1.213","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347775","10.1988","0.0001","10.1988","0.0001","13.4856","0.0003","90","","90","","120","","1214.78","0.03","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C3 H7 N O3 P Zn -","- C3 H7 N O3 P Zn -","- C18 H42 N6 O18 P6 Zn6 -","6","1","","Wang, Kangcai; Bian, Yixuan; Li, Jing; Xu, Dingguo; Lin, Zhien","Amine-Ligated Approach for the Synthesis of Extra-Large-Pore Zinc Phosphites with qtz-h and bnn Topologies.","Inorganic chemistry","2016","55","8","3727","3729","10.1021/acs.inorgchem.6b00589","","x-ray","1.54184","CuKα","","0.0679","0.0669","","","0.1955","0.1982","","","","","","1.172","","","","has coordinates","232494","2020-10-21","18:00:00",""
"4347776","8.7793","0.0003","9.9952","0.0002","17.6047","0.0006","83.642","0.002","81.302","0.003","86.406","0.002","1516.01","0.08","292.2","0.1","292.2","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H36 N4 O16 P4 Zn4 -","- C16 H35 N4 O16 P4 Zn4 -","- C32 H70 N8 O32 P8 Zn8 -","2","1","","Wang, Kangcai; Bian, Yixuan; Li, Jing; Xu, Dingguo; Lin, Zhien","Amine-Ligated Approach for the Synthesis of Extra-Large-Pore Zinc Phosphites with qtz-h and bnn Topologies.","Inorganic chemistry","2016","55","8","3727","3729","10.1021/acs.inorgchem.6b00589","","x-ray","1.54184","CuKα","","0.0469","0.0441","","","0.1184","0.1214","","","","","","1.069","","","","has coordinates,has disorder","232495","2020-10-21","18:00:00",""
"4347777","35.3316","0.0015","10.8597","0.0005","20.3225","0.0009","90","","110.578","0.001","90","","7300","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 Ce N6 O14 -","- C24 Ce N6 O14 -","- C192 Ce8 N48 O112 -","8","1","","Acher, Eléonor; Hacene Cherkaski, Yanis; Dumas, Thomas; Tamain, Christelle; Guillaumont, Dominique; Boubals, Nathalie; Javierre, Guilhem; Hennig, Christoph; Solari, Pier Lorenzo; Charbonnel, Marie-Christine","Structures of Plutonium(IV) and Uranium(VI) with N,N-Dialkyl Amides from Crystallography, X-ray Absorption Spectra, and Theoretical Calculations.","Inorganic chemistry","2016","55","11","5558","5569","10.1021/acs.inorgchem.6b00592","","","0.71073","MoKα","","0.0945","0.0612","","","0.1651","0.1937","","","","","","1.033","","","","has coordinates","232496","2020-10-21","18:00:00",""
"4347778","9.539","0.001","9.805","0.001","19.304","0.001","83.952","0.001","87.268","0.001","67.264","0.001","1655.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","U-DBBA","","","- C24 H50 Ce0 N4 O10 U -","- C24 H50 N4 O10 U -","- C48 H100 N8 O20 U2 -","2","1","","Acher, Eléonor; Hacene Cherkaski, Yanis; Dumas, Thomas; Tamain, Christelle; Guillaumont, Dominique; Boubals, Nathalie; Javierre, Guilhem; Hennig, Christoph; Solari, Pier Lorenzo; Charbonnel, Marie-Christine","Structures of Plutonium(IV) and Uranium(VI) with N,N-Dialkyl Amides from Crystallography, X-ray Absorption Spectra, and Theoretical Calculations.","Inorganic chemistry","2016","55","11","5558","5569","10.1021/acs.inorgchem.6b00592","","","0.71069","MoKα","","0.0378","0.0288","","","0.0612","0.0654","","","","","","1.046","","","","has coordinates","232497","2020-10-21","18:00:00",""
"4347779","35.0792","0.0019","10.7798","0.0006","20.1605","0.0011","90","","111.047","0.002","90","","7115","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 N6 O14 Pu -","- C24 N6 O14 Pu -","- C192 N48 O112 Pu8 -","8","1","","Acher, Eléonor; Hacene Cherkaski, Yanis; Dumas, Thomas; Tamain, Christelle; Guillaumont, Dominique; Boubals, Nathalie; Javierre, Guilhem; Hennig, Christoph; Solari, Pier Lorenzo; Charbonnel, Marie-Christine","Structures of Plutonium(IV) and Uranium(VI) with N,N-Dialkyl Amides from Crystallography, X-ray Absorption Spectra, and Theoretical Calculations.","Inorganic chemistry","2016","55","11","5558","5569","10.1021/acs.inorgchem.6b00592","","","0.71073","MoKα","","0.0444","0.0357","","","0.0947","0.1022","","","","","","0.937","","","","has coordinates","232498","2020-10-21","18:00:00",""
"4347780","17.1327","0.0012","23.4368","0.0017","29.688","0.002","109.215","0.003","91.596","0.003","102.41","0.002","10930.7","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 N6 O4 -","- C16 H24 N6 O4 -","- C352 H528 N132 O88 -","22","11","","Lohrman, Jessica; Telikepalli, Hanumaiah; Johnson, Thomas S.; Jackson, Timothy A.; Day, Victor W.; Bowman-James, Kristin","Pyrazinetetracarboxamide: A Duplex Ligand for Palladium(II).","Inorganic chemistry","2016","55","11","5098","5100","10.1021/acs.inorgchem.6b00594","","","1.54178","CuKα","","0.1051","0.0628","","","0.183","0.2076","","","","","","1.016","","","","has coordinates,has disorder","232499","2020-10-21","18:00:00",""
"4347781","6.811","0.0008","7.8443","0.0011","19.289","0.019","90","","90","","90","","1030.6","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(dimethylsilanediyl)bis(methylene) dicarbamate","(dimethylsilanediyl)bis(methylene) dicarbamate","","- C6 H14 N2 O4 Si -","- C6 H14 N2 O4 Si -","- C24 H56 N8 O16 Si4 -","4","1","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas","Energetic Sila-Nitrocarbamates: Silicon Analogues of Neo-Pentane Derivatives.","Inorganic chemistry","2016","55","9","4683","4692","10.1021/acs.inorgchem.6b00602","","","0.71073","MoKα","","0.0603","0.0466","","","0.081","0.0885","","","","","","1.068","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347782","9.8851","0.0006","9.8992","0.0007","11.3628","0.0007","95.236","0.005","109.668","0.006","119.019","0.007","870.75","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(methylsilanetriyl)tris(methylene) tricarbamate","(methylsilanetriyl)tris(methylene) tricarbamate","","- C11 H23 N3 O8 Si -","- C11 H23 N3 O8 Si -","- C22 H46 N6 O16 Si2 -","2","1","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas","Energetic Sila-Nitrocarbamates: Silicon Analogues of Neo-Pentane Derivatives.","Inorganic chemistry","2016","55","9","4683","4692","10.1021/acs.inorgchem.6b00602","","","0.71073","MoKα","","0.0579","0.041","","","0.0846","0.0999","","","","","","1.102","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347783","7.374","0.0004","6.889","0.0004","26.8818","0.0002","90","","94.54","0.006","90","","1361.3","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","silanetetrayltetrakis(methylene) tetracarbamate","silanetetrayltetrakis(methylene) tetracarbamate","","- C8 H16 N4 O8 Si -","- C8 H16 N4 O8 Si -","- C32 H64 N16 O32 Si4 -","4","1","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas","Energetic Sila-Nitrocarbamates: Silicon Analogues of Neo-Pentane Derivatives.","Inorganic chemistry","2016","55","9","4683","4692","10.1021/acs.inorgchem.6b00602","","","0.71073","MoKα","","0.0341","0.0297","","","0.0728","0.0756","","","","","","1.065","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347784","8.5436","0.0004","14.1363","0.001","17.4376","0.0011","90","","90","","90","","2106","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(trimethylsilyl)methyl nitrocarbamate","(trimethylsilyl)methyl nitrocarbamate","","- C5 H12 N2 O4 Si -","- C5 H12 N2 O4 Si -","- C40 H96 N16 O32 Si8 -","8","1","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas","Energetic Sila-Nitrocarbamates: Silicon Analogues of Neo-Pentane Derivatives.","Inorganic chemistry","2016","55","9","4683","4692","10.1021/acs.inorgchem.6b00602","","","0.71073","MoKα","","0.078","0.0441","","","0.0975","0.1179","","","","","","1.015","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347785","7.224","0.0005","7.411","0.0004","12.281","0.0006","83.53","0.004","87.158","0.005","81.859","0.005","646.34","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(dimethylsilanediyl)bis(methylene) bis(nitrocarbamate)","(dimethylsilanediyl)bis(methylene) bis(nitrocarbamate)","","- C6 H12 N4 O8 Si -","- C6 H12 N4 O8 Si -","- C12 H24 N8 O16 Si2 -","2","1","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas","Energetic Sila-Nitrocarbamates: Silicon Analogues of Neo-Pentane Derivatives.","Inorganic chemistry","2016","55","9","4683","4692","10.1021/acs.inorgchem.6b00602","","","0.71073","MoKα","","0.0499","0.0387","","","0.0939","0.1035","","","","","","1.036","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347786","10.0675","0.0004","10.0675","0.0004","9.7196","0.0007","90","","90","","90","","985.13","0.09","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","sila-PETNC","Tetrakis(nitrocarbamoylmethyl)silane","","- C8 H12 N8 O16 Si -","- C8 H12 N8 O16 Si -","- C16 H24 N16 O32 Si2 -","2","0.25","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas","Energetic Sila-Nitrocarbamates: Silicon Analogues of Neo-Pentane Derivatives.","Inorganic chemistry","2016","55","9","4683","4692","10.1021/acs.inorgchem.6b00602","","","0.71073","MoKα","","0.0514","0.0409","","","0.0938","0.0997","","","","","","1.051","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347787","25.7845","0.0017","11.6651","0.0009","8.7953","0.0004","90","","91.258","0.005","90","","2644.8","0.3","172.9","0.8","172.9","0.8","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis(methylene) bis(nitrocarbamate)","(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis(methylene) bis(nitrocarbamate)","","- C8 H18 N4 O9 Si2 -","- C8 H18 N4 O9 Si2 -","- C48 H108 N24 O54 Si12 -","6","1.5","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas","Energetic Sila-Nitrocarbamates: Silicon Analogues of Neo-Pentane Derivatives.","Inorganic chemistry","2016","55","9","4683","4692","10.1021/acs.inorgchem.6b00602","","","0.71073","MoKα","","0.069","0.0448","","","0.0916","0.1014","","","","","","1.015","","","","has coordinates","232500","2020-10-21","18:00:00",""
"4347788","13.679","0.003","14.772","0.003","25.532","0.006","106.077","0.002","99.833","0.003","99.363","0.002","4762.9","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H48 N2 O39 Pt33 -","- C58 H48 N2 O39 Pt33 -","- C116 H96 N4 O78 Pt66 -","2","1","","Cattabriga, Enrico; Ciabatti, Iacopo; Femoni, Cristina; Funaioli, Tiziana; Iapalucci, Maria Carmela; Zacchini, Stefano","Syntheses, Structures, and Electrochemistry of the Defective ccp [Pt33(CO)38](2-) and the bcc [Pt40(CO)40](6-) Molecular Nanoclusters.","Inorganic chemistry","2016","55","12","6068","6079","10.1021/acs.inorgchem.6b00607","","","0.71073","MoKα","","0.1075","0.0557","","","0.1194","0.1423","","","","","","0.964","","","","has coordinates,has disorder","232501","2020-10-21","18:00:00",""
"4347789","15.778","0.002","16.481","0.002","28.555","0.004","81.061","0.002","81.175","0.002","89.248","0.002","7247.9","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H109 N9 O40 Pt40 -","- C104 H109 N9 O40 Pt40 -","- C208 H218 N18 O80 Pt80 -","2","1","","Cattabriga, Enrico; Ciabatti, Iacopo; Femoni, Cristina; Funaioli, Tiziana; Iapalucci, Maria Carmela; Zacchini, Stefano","Syntheses, Structures, and Electrochemistry of the Defective ccp [Pt33(CO)38](2-) and the bcc [Pt40(CO)40](6-) Molecular Nanoclusters.","Inorganic chemistry","2016","55","12","6068","6079","10.1021/acs.inorgchem.6b00607","","","0.71073","MoKα","","0.0816","0.0581","","","0.1493","0.1648","","","","","","1.026","","","","has coordinates","232502","2020-10-21","18:00:00",""
"4347790","12.9789","0.0014","15.359","0.002","18.263","0.002","90","","90","","90","","3640.6","0.7","100","2","100","2","","","","","","","thf, diethylether","7","P n a 21","P 2c -2n","33","","","","- C36 H49 Cl3 N2 O P Re -","- C36 H49 Cl3 N2 O P Re -","- C144 H196 Cl12 N8 O4 P4 Re4 -","4","1","","Wang, Mei; Weyhermüller, Thomas; Bill, Eckhard; Ye, Shengfa; Wieghardt, Karl","Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2″-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study.","Inorganic chemistry","2016","55","10","5019","5036","10.1021/acs.inorgchem.6b00609","","","0.71073","MoKα","","0.0601","0.0365","","","0.0734","0.0827","","","","","","1.02","","","","has coordinates,has disorder","232503","2020-10-21","18:00:00",""
"4347791","17.64","0.002","22.476","0.002","25.573","0.003","90","","90","","90","","10139.1","1.9","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H57 Cl2 N3 O4 P2 Re -","- C55 H57 Cl2 N3 O4 P2 Re -","- C440 H456 Cl16 N24 O32 P16 Re8 -","8","1","","Wang, Mei; Weyhermüller, Thomas; Bill, Eckhard; Ye, Shengfa; Wieghardt, Karl","Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2″-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study.","Inorganic chemistry","2016","55","10","5019","5036","10.1021/acs.inorgchem.6b00609","","","0.71073","MoKα","","0.0494","0.028","","","0.0523","0.0598","","","","","","1.068","","","","has coordinates","232503","2020-10-21","18:00:00",""
"4347792","18.3091","0.001","18.3091","0.001","15.383","0.002","90","","90","","120","","4465.9","0.7","100","2","100","2","","","","","","","toluene, diethylether","4","R -3 c :H","-R 3 2""c","167","","","","- C36 H36 N6 Re -","- C36 H36 N6 Re -","- C216 H216 N36 Re6 -","6","0.166667","","Wang, Mei; Weyhermüller, Thomas; Bill, Eckhard; Ye, Shengfa; Wieghardt, Karl","Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2″-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study.","Inorganic chemistry","2016","55","10","5019","5036","10.1021/acs.inorgchem.6b00609","","","0.71073","MoKα","","0.0405","0.0287","","","0.0691","0.0812","","","","","","1.09","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347793","13.18","0.002","19.315","0.003","17.588","0.002","90","","95.874","0.002","90","","4453.9","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 F6 N6 O8 Re S2 -","- C38 H36 F6 N6 O6 Re S2 -","- C152 H144 F24 N24 O24 Re4 S8 -","4","1","","Wang, Mei; Weyhermüller, Thomas; Bill, Eckhard; Ye, Shengfa; Wieghardt, Karl","Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2″-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study.","Inorganic chemistry","2016","55","10","5019","5036","10.1021/acs.inorgchem.6b00609","","","0.71073","MoKα","","0.0526","0.0418","","","0.1189","0.1311","","","","","","1.074","","","","has coordinates,has disorder","232503","2020-10-21","18:00:00",""
"4347794","9.3239","0.0009","15.0576","0.0015","15.723","0.002","84.263","0.002","80.615","0.002","73.73","0.002","2087.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H45 N6 O Re -","- C45 H45 N6 O Re -","- C90 H90 N12 O2 Re2 -","2","1","","Wang, Mei; Weyhermüller, Thomas; Bill, Eckhard; Ye, Shengfa; Wieghardt, Karl","Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2″-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study.","Inorganic chemistry","2016","55","10","5019","5036","10.1021/acs.inorgchem.6b00609","","","0.71073","MoKα","","0.0287","0.0242","","","0.0581","0.0604","","","","","","1.047","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347795","16.5197","0.0009","21.126","0.002","20.0004","0.0014","90","","101.754","0.005","90","","6833.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H27 Cl6 N6 Re -","- C32.5 H27 Cl6 N6 Re -","- C260 H216 Cl48 N48 Re8 -","8","2","","Wang, Mei; Weyhermüller, Thomas; Bill, Eckhard; Ye, Shengfa; Wieghardt, Karl","Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2″-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study.","Inorganic chemistry","2016","55","10","5019","5036","10.1021/acs.inorgchem.6b00609","","","0.71073","MoKα","","0.0484","0.0331","","","0.0807","0.0941","","","","","","1.097","","","","has coordinates,has disorder","232503","2020-10-21","18:00:00",""
"4347796","14.558","0.003","14.386","0.002","9.793","0.002","90","","90","","90","","2051","0.7","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C19.78 H20.35 B Cl0.22 N8 O0.78 Re -","- C19.781 H20.3438 B Cl0.219 N8 O0.781 Re -","- C79.124 H81.3752 B4 Cl0.876 N32 O3.124 Re4 -","4","0.5","","Wang, Mei; Weyhermüller, Thomas; Bill, Eckhard; Ye, Shengfa; Wieghardt, Karl","Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2″-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study.","Inorganic chemistry","2016","55","10","5019","5036","10.1021/acs.inorgchem.6b00609","","","0.71073","MoKα","","0.0251","0.0212","","","0.052","0.0551","","","","","","1.108","","","","has coordinates,has disorder","232503","2020-10-21","18:00:00",""
"4347797","14.1936","0.0015","12.6799","0.0013","22.455","0.003","90","","107.152","0.002","90","","3861.6","0.8","100","2","100","2","","","","","","","methanol, diethylether","8","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Cl F6 N6 O6 Re S2 -","- C32 H22 Cl F6 N6 O6 Re S2 -","- C128 H88 Cl4 F24 N24 O24 Re4 S8 -","4","0.5","","Wang, Mei; Weyhermüller, Thomas; Bill, Eckhard; Ye, Shengfa; Wieghardt, Karl","Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2″-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study.","Inorganic chemistry","2016","55","10","5019","5036","10.1021/acs.inorgchem.6b00609","","","0.71073","MoKα","","0.0216","0.0182","","","0.0433","0.0444","","","","","","1.066","","","","has coordinates","232503","2020-10-21","18:00:00",""
"4347798","13.31","0.003","17.748","0.004","19.448","0.004","70.576","0.003","78.466","0.003","77.561","0.003","4189.7","1.6","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H44 N4 Pt S3 -","- C46 H44 N4 Pt S3 -","- C184 H176 N16 Pt4 S12 -","4","2","","Chan, Michael Ho-Yeung; Wong, Hok-Lai; Yam, Vivian Wing-Wah","Synthesis and Photochromic Studies of Dithienylethene-Containing Cyclometalated Alkynylplatinum(II) 1,3-Bis(N-alkylbenzimidazol-2'-yl)benzene Complexes.","Inorganic chemistry","2016","55","11","5570","5577","10.1021/acs.inorgchem.6b00619","","","0.71073","MoKα","","0.057","0.0338","","","0.0751","0.0831","","","","","","0.978","","","","has coordinates,has disorder","232504","2020-10-21","18:00:00",""
"4347799","11.1715","0.0003","10.5384","0.0003","15.8594","0.0005","90","","101.833","0.002","90","","1827.45","0.09","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni(tren)(ma)(H2O)]2[Sn2S6]*4H2O","'[Ni(C6H18N4)(CH5N)(H2O)]2[Sn2S6]*4H2O'","","- C14 H58 N10 Ni2 O6 S6 Sn2 -","- C14 H58 N10 Ni2 O6 S6 Sn2 -","- C28 H116 N20 Ni4 O12 S12 Sn4 -","2","0.5","","Hilbert, Jessica; Näther, Christian; Weihrich, Richard; Bensch, Wolfgang","Room-Temperature Synthesis of Thiostannates from {[Ni(tren)]2[Sn2S6]}n.","Inorganic chemistry","2016","55","16","7859","7865","10.1021/acs.inorgchem.6b00625","","","0.71073","MoKα","","0.0339","0.0261","","","0.0637","0.0656","","","","","","1.022","","","","has coordinates","232505","2020-10-21","18:00:00",""
"4347800","23.371","0.003","8.231","0.002","14.274","0.002","90","","107.23","0.01","90","","2622.6","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","{[Ni(tren)]2[Sn2S6]}n","'{[Ni(C6H18N4)]2[Sn2S6]}n'","","- C12 H36 N8 Ni2 S6 Sn2 -","- C12 H36 N8 Ni2 S6 Sn2 -","- C48 H144 N32 Ni8 S24 Sn8 -","4","0.5","","Hilbert, Jessica; Näther, Christian; Weihrich, Richard; Bensch, Wolfgang","Room-Temperature Synthesis of Thiostannates from {[Ni(tren)]2[Sn2S6]}n.","Inorganic chemistry","2016","55","16","7859","7865","10.1021/acs.inorgchem.6b00625","","","0.71073","MoKα","","0.071","0.034","","","0.0838","0.0933","","","","","","1.003","","","","has coordinates,has disorder","232507","2020-10-21","18:00:00",""
"4347801","12.9264","0.0003","10.1627","0.0003","15.6585","0.0004","90","","113.263","0.002","90","","1889.78","0.09","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni(tren)(1,2-dap)]2[Sn2S6]*2H2O","'[Ni(C6H18N4)(C3H10N2)]2[Sn2S6]*2H2O'","","- C18 H60 N12 Ni2 O2 S6 Sn2 -","- C18 H60 N12 Ni2 O2 S6 Sn2 -","- C36 H120 N24 Ni4 O4 S12 Sn4 -","2","0.5","","Hilbert, Jessica; Näther, Christian; Weihrich, Richard; Bensch, Wolfgang","Room-Temperature Synthesis of Thiostannates from {[Ni(tren)]2[Sn2S6]}n.","Inorganic chemistry","2016","55","16","7859","7865","10.1021/acs.inorgchem.6b00625","","","0.71073","MoKα","","0.0288","0.0239","","","0.0575","0.0589","","","","","","1.067","","","","has coordinates,has disorder","232508","2020-10-21","18:00:00",""
"4347802","12.9907","0.0004","15.0019","0.0005","19.8859","0.0007","84.5399","0.0015","82.2164","0.0015","87.5745","0.0016","3820.6","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H76 Dy F3 Mn3 N10 O20 S -","- C76 H76 Dy F3 Mn3 N10 O20 S -","- C152 H152 Dy2 F6 Mn6 N20 O40 S2 -","2","1","","Lin, Po-Heng; Tsui, Emily Y.; Habib, Fatemah; Murugesu, Muralee; Agapie, Theodor","Effect of the Mn Oxidation State on Single-Molecule-Magnet Properties: Mn(III) vs Mn(IV) in Biologically Inspired DyMn3O4 Cubanes.","Inorganic chemistry","2016","55","12","6095","6099","10.1021/acs.inorgchem.6b00630","","","0.71073","MoKα","","0.0718","0.0468","","","0.1139","0.1237","","","","","","1.534","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347803","17.8964","0.0006","16.8161","0.0005","27.7199","0.0009","90","","108.061","0.002","90","","7931.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82.25 H86 Dy Mn3 N9 O17 -","- C82.278 H85.834 Dy Mn3 N8.722 O17 -","- C329.112 H343.336 Dy4 Mn12 N34.888 O68 -","4","1","","Lin, Po-Heng; Tsui, Emily Y.; Habib, Fatemah; Murugesu, Muralee; Agapie, Theodor","Effect of the Mn Oxidation State on Single-Molecule-Magnet Properties: Mn(III) vs Mn(IV) in Biologically Inspired DyMn3O4 Cubanes.","Inorganic chemistry","2016","55","12","6095","6099","10.1021/acs.inorgchem.6b00630","","","0.71073","MoKα","","0.0345","0.0289","","","0.0989","0.103","","","","","","1.578","","","","has coordinates,has disorder","232510","2020-10-21","18:00:00",""
"4347804","15.2019","0.0009","15.2276","0.0009","16.6962","0.001","74.449","0.002","74.51","0.002","66.594","0.002","3360.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C69.53 H63.58 Mn3 N7.47 O15 Y -","- C69.528 H63.584 Mn3 N7.472 O15 Y -","- C139.056 H127.168 Mn6 N14.944 O30 Y2 -","2","1","","Lin, Po-Heng; Tsui, Emily Y.; Habib, Fatemah; Murugesu, Muralee; Agapie, Theodor","Effect of the Mn Oxidation State on Single-Molecule-Magnet Properties: Mn(III) vs Mn(IV) in Biologically Inspired DyMn3O4 Cubanes.","Inorganic chemistry","2016","55","12","6095","6099","10.1021/acs.inorgchem.6b00630","","","0.71073","MoKα","","0.1359","0.072","","","0.1835","0.2075","","","","","","1.242","","","","has coordinates,has disorder","232511","2020-10-21","18:00:00",""
"4347805","9.8893","0.0013","13.0757","0.0018","29.424","0.004","90","","90.938","0.003","90","","3804.3","0.9","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C60PNO","","","- C70 H9 Cl2 N O4 -","- C70 H9 Cl2 N O4 -","- C280 H36 Cl8 N4 O16 -","4","1","","Bao, Lipiao; Chen, Muqing; Shen, Wangqiang; Pan, Changwang; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.; Akasaka, Takeshi; Lu, Xing","Regioselective Synthesis and Crystallographic Characterization of Isoxazoline-Ring-Fused Derivatives of Sc3N@Ih-C80 and C60.","Inorganic chemistry","2016","55","9","4075","4077","10.1021/acs.inorgchem.6b00631","","","0.71073","MoKα","","0.0624","0.0602","","","0.1835","0.1876","","","","","","1.066","","","","has coordinates","232512","2020-10-21","18:00:00",""
"4347806","24.9451","0.001","24.9451","0.001","15.7646","0.0007","90","","90","","90","","9809.6","0.7","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","Sc3N@C80PNO","","","- C90.5 H9 Cl2 N2 O4 S Sc3 -","- C90.5 H9 Cl2 N2 O4 S Sc3 -","- C724 H72 Cl16 N16 O32 S8 Sc24 -","8","1","","Bao, Lipiao; Chen, Muqing; Shen, Wangqiang; Pan, Changwang; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.; Akasaka, Takeshi; Lu, Xing","Regioselective Synthesis and Crystallographic Characterization of Isoxazoline-Ring-Fused Derivatives of Sc3N@Ih-C80 and C60.","Inorganic chemistry","2016","55","9","4075","4077","10.1021/acs.inorgchem.6b00631","","","0.7749","","","0.201","0.1928","","","0.5896","0.5993","","","","","","3.367","","","","has coordinates,has disorder","232513","2020-10-21","18:00:00",""
"4347807","10.5686","0.0005","12.0162","0.0006","16.5583","0.0008","90","","100.986","0.0009","90","","2064.28","0.17","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C44 H40 N4 S4 Th -","- C44 H40 N4 S4 Th -","- C88 H80 N8 S8 Th2 -","2","0.5","","Rehe, David; Kornienko, Anna Y.; Emge, Thomas J.; Brennan, John G.","Thorium Compounds with Bonds to Sulfur or Selenium: Synthesis, Structure, and Thermolysis.","Inorganic chemistry","2016","55","14","6961","6967","10.1021/acs.inorgchem.6b00645","","","0.71073","MoKα","","0.0368","0.0264","","","0.0573","0.0607","","","","","","1.009","","","","has coordinates","232514","2020-10-21","18:00:00",""
"4347808","13.9212","0.001","16.9796","0.0012","18.0655","0.0014","90","","103.736","0.0016","90","","4148.1","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H15 F20 N3 S4 Th -","- C39 H15 F20 N3 S4 Th -","- C156 H60 F80 N12 S16 Th4 -","4","0.5","","Rehe, David; Kornienko, Anna Y.; Emge, Thomas J.; Brennan, John G.","Thorium Compounds with Bonds to Sulfur or Selenium: Synthesis, Structure, and Thermolysis.","Inorganic chemistry","2016","55","14","6961","6967","10.1021/acs.inorgchem.6b00645","","","0.71073","MoKα","","0.0428","0.0349","","","0.0764","0.0795","","","","","","1.004","","","","has coordinates","232514","2020-10-21","18:00:00",""
"4347809","19.89","0.003","11.7512","0.0011","19.6684","0.0018","90","","119.588","0.002","90","","3997.6","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H37.5 N3.5 Se4 Th -","- C41.5 H37.5 N3.5 Se4 Th -","- C166 H150 N14 Se16 Th4 -","4","1","","Rehe, David; Kornienko, Anna Y.; Emge, Thomas J.; Brennan, John G.","Thorium Compounds with Bonds to Sulfur or Selenium: Synthesis, Structure, and Thermolysis.","Inorganic chemistry","2016","55","14","6961","6967","10.1021/acs.inorgchem.6b00645","","","0.71073","MoKα","","0.0643","0.0418","","","0.0934","0.1037","","","","","","1.005","","","","has coordinates","232514","2020-10-21","18:00:00",""
"4347810","12.443","0.003","13.492","0.003","18.832","0.004","102.617","0.004","100.856","0.004","114.21","0.004","2673.1","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51.5 H27.5 F20 N5.5 Se4 Th -","- C51.5 H27.5 F20 N5.5 Se4 Th -","- C103 H55 F40 N11 Se8 Th2 -","2","1","","Rehe, David; Kornienko, Anna Y.; Emge, Thomas J.; Brennan, John G.","Thorium Compounds with Bonds to Sulfur or Selenium: Synthesis, Structure, and Thermolysis.","Inorganic chemistry","2016","55","14","6961","6967","10.1021/acs.inorgchem.6b00645","","","0.71073","MoKα","","0.0587","0.0406","","","0.08","0.0836","","","","","","0.816","","","","has coordinates,has disorder","232514","2020-10-21","18:00:00",""
"4347811","13.6483","0.0005","13.6483","0.0005","14.641","0.0008","90","","90","","90","","2727.3","0.2","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C24 H26 Cl2 N6 Ni O8 -","- C24 H26 Cl2 N6 Ni O8 -","- C96 H104 Cl8 N24 Ni4 O32 -","4","0.5","","Sikari, Rina; Sinha, Suman; Jash, Upasona; Das, Siuli; Brandão, Paula; de Bruin, Bas; Paul, Nanda D.","Deprotonation Induced Ligand Oxidation in a Ni(II) Complex of a Redox Noninnocent N(1)-(2-Aminophenyl)benzene-1,2-diamine and Its Use in Catalytic Alcohol Oxidation.","Inorganic chemistry","2016","55","12","6114","6123","10.1021/acs.inorgchem.6b00646","","","0.71073","MoKα","","0.038","0.0292","","","0.0621","0.0655","","","","","","1.037","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347812","8.8868","0.0007","9.1899","0.0006","13.2495","0.0011","90","","98.474","0.003","90","","1070.26","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N6 Ni -","- C24 H20 N6 Ni -","- C48 H40 N12 Ni2 -","2","0.5","","Sikari, Rina; Sinha, Suman; Jash, Upasona; Das, Siuli; Brandão, Paula; de Bruin, Bas; Paul, Nanda D.","Deprotonation Induced Ligand Oxidation in a Ni(II) Complex of a Redox Noninnocent N(1)-(2-Aminophenyl)benzene-1,2-diamine and Its Use in Catalytic Alcohol Oxidation.","Inorganic chemistry","2016","55","12","6114","6123","10.1021/acs.inorgchem.6b00646","","","0.71073","MoKα","","0.0549","0.0394","","","0.1002","0.1072","","","","","","1.095","","","","has coordinates,has disorder","232516","2020-10-21","18:00:00",""
"4347813","12.5538","0.0011","12.7608","0.0011","39.841","0.004","90","","93.501","0.003","90","","6370.5","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H33 F12 N6.5 P2 Ru -","- C27 H30 F12 N6.5 P2 Ru -","- C216 H240 F96 N52 P16 Ru8 -","8","1","","Arora, Karan; White, Jessica K.; Sharma, Rajgopal; Mazumder, Shivnath; Martin, Philip D.; Schlegel, H. Bernhard; Turro, Claudia; Kodanko, Jeremy J.","Effects of Methyl Substitution in Ruthenium Tris(2-pyridylmethyl)amine Photocaging Groups for Nitriles.","Inorganic chemistry","2016","55","14","6968","6979","10.1021/acs.inorgchem.6b00650","","","0.71073","MoKα","","0.0543","0.053","","","0.1239","0.1245","","","","","","1.245","","","","has coordinates","232517","2020-10-21","18:00:00",""
"4347814","11.3211","0.0003","14.5428","0.0003","21.0676","0.0004","90","","90","","90","","3468.58","0.13","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H28 N5 O3 Os P -","- C40 H28 N5 O3 Os P -","- C160 H112 N20 O12 Os4 P4 -","4","1","","Xiang, Jing; Wang, Qian; Yiu, Shek-Man; Man, Wai-Lun; Kwong, Hoi-Ki; Lau, Tai-Chu","Aerobic Oxidation of an Osmium(III) N-Hydroxyguanidine Complex To Give Nitric Oxide.","Inorganic chemistry","2016","55","10","5056","5061","10.1021/acs.inorgchem.6b00652","","","1.54178","CuKα","","0.0366","0.0366","","","0.0826","0.0826","","","","","","1.282","","","","has coordinates,has disorder","232518","2020-10-21","18:00:00",""
"4347815","11.291","0.0008","13.1602","0.0009","13.162","0.0009","75.406","0.006","72.121","0.006","75.807","0.006","1771.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 N5 O3 Os P -","- C40 H28 N5 O3 Os P -","- C80 H56 N10 O6 Os2 P2 -","2","1","","Xiang, Jing; Wang, Qian; Yiu, Shek-Man; Man, Wai-Lun; Kwong, Hoi-Ki; Lau, Tai-Chu","Aerobic Oxidation of an Osmium(III) N-Hydroxyguanidine Complex To Give Nitric Oxide.","Inorganic chemistry","2016","55","10","5056","5061","10.1021/acs.inorgchem.6b00652","","","1.54184","CuKα","","0.0534","0.0523","","","0.1237","0.1243","","","","","","1.066","","","","has coordinates","232519","2020-10-21","18:00:00",""
"4347816","10.8363","0.0002","16.4986","0.0002","18.6208","0.0003","97.1632","0.0013","94.7788","0.0014","106.966","0.0015","3134.13","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H60 N6 O7.5 Os P2 -","- C65 H51 N6 O7.5 Os P2 -","- C130 H102 N12 O15 Os2 P4 -","2","1","","Xiang, Jing; Wang, Qian; Yiu, Shek-Man; Man, Wai-Lun; Kwong, Hoi-Ki; Lau, Tai-Chu","Aerobic Oxidation of an Osmium(III) N-Hydroxyguanidine Complex To Give Nitric Oxide.","Inorganic chemistry","2016","55","10","5056","5061","10.1021/acs.inorgchem.6b00652","","","1.54178","CuKα","","0.0393","0.0363","","","0.1107","0.1125","","","","","","1.105","","","","has coordinates","232520","2020-10-21","18:00:00",""
"4347817","10.3167","0.0002","12.3418","0.0003","15.883","0.0004","99.22","0.002","90.675","0.002","101.913","0.002","1951.1","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H37 N7 O4 Os P -","- C42 H37 N7 O4 Os P -","- C84 H74 N14 O8 Os2 P2 -","2","1","","Xiang, Jing; Wang, Qian; Yiu, Shek-Man; Man, Wai-Lun; Kwong, Hoi-Ki; Lau, Tai-Chu","Aerobic Oxidation of an Osmium(III) N-Hydroxyguanidine Complex To Give Nitric Oxide.","Inorganic chemistry","2016","55","10","5056","5061","10.1021/acs.inorgchem.6b00652","","","1.54184","CuKα","","0.0253","0.0231","","","0.0586","0.0593","","","","","","1.031","","","","has coordinates","232521","2020-10-21","18:00:00",""
"4347818","11.9907","0.0003","13.6805","0.0003","15.2443","0.0004","109.302","0.002","110.826","0.002","100.833","0.002","2069.41","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H70 Dy2 N4 O12 -","- C110 H70 Dy2 N4 O12 -","- C110 H70 Dy2 N4 O12 -","1","0.5","","Wang, Yu-Ling; Han, Chang-Bao; Zhang, Yi-Quan; Liu, Qing-Yan; Liu, Cai-Ming; Yin, Shun-Gao","Fine-Tuning Ligand to Modulate the Magnetic Anisotropy in a Carboxylate-Bridged Dy2 Single-Molecule Magnet System.","Inorganic chemistry","2016","55","11","5578","5584","10.1021/acs.inorgchem.6b00653","","x-ray","0.71073","MoKα","","0.0428","0.0354","","","0.0666","0.072","","","","","","1.005","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347819","12.5093","0.0005","13.3389","0.0006","15.0003","0.0006","110.723","0.004","102.983","0.004","106.928","0.004","2084","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H70 Dy2 N4 O12 -","- C114 H70 Dy2 N4 O12 -","- C114 H70 Dy2 N4 O12 -","1","0.5","","Wang, Yu-Ling; Han, Chang-Bao; Zhang, Yi-Quan; Liu, Qing-Yan; Liu, Cai-Ming; Yin, Shun-Gao","Fine-Tuning Ligand to Modulate the Magnetic Anisotropy in a Carboxylate-Bridged Dy2 Single-Molecule Magnet System.","Inorganic chemistry","2016","55","11","5578","5584","10.1021/acs.inorgchem.6b00653","","x-ray","0.71073","MoKα","","0.0669","0.0499","","","0.0671","0.0737","","","","","","0.988","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347820","15.124","0.003","21.055","0.002","15.431","0.006","90","","115.15","0.03","90","","4448","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C118 H78 Dy2 N4 O12 -","- C118 H78 Dy2 N4 O12 -","- C236 H156 Dy4 N8 O24 -","2","0.5","","Wang, Yu-Ling; Han, Chang-Bao; Zhang, Yi-Quan; Liu, Qing-Yan; Liu, Cai-Ming; Yin, Shun-Gao","Fine-Tuning Ligand to Modulate the Magnetic Anisotropy in a Carboxylate-Bridged Dy2 Single-Molecule Magnet System.","Inorganic chemistry","2016","55","11","5578","5584","10.1021/acs.inorgchem.6b00653","","x-ray","0.71073","MoKα","","0.0418","0.0307","","","0.0647","0.0696","","","","","","1.032","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347821","12.8306","0.0007","14.7159","0.0008","20.368","0.0011","90","","90","","90","","3845.8","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H60 Cl N2 Os P -","- C36 H60 Cl N2 Os P -","- C144 H240 Cl4 N8 Os4 P4 -","4","1","","Buil, María L; Cardo, Juan J. F.; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique","An Entry to Stable Mixed Phosphine-Osmium-NHC Polyhydrides.","Inorganic chemistry","2016","55","10","5062","5070","10.1021/acs.inorgchem.6b00658","","","0.71073","MoKα","","0.0427","0.039","","","0.0887","0.091","","","","","","1.077","","","","has coordinates","232523","2020-10-21","18:00:00",""
"4347822","21.4514","0.0017","10.3031","0.0008","38.022","0.003","90","","100.251","0.001","90","","8269.3","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H58 B N2 Os P -","- C45 H58 B N2 Os P -","- C360 H464 B8 N16 Os8 P8 -","8","1","","Buil, María L; Cardo, Juan J. F.; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique","An Entry to Stable Mixed Phosphine-Osmium-NHC Polyhydrides.","Inorganic chemistry","2016","55","10","5062","5070","10.1021/acs.inorgchem.6b00658","","","0.71073","MoKα","","0.0578","0.0399","","","0.0796","0.0878","","","","","","1.022","","","","has coordinates","232523","2020-10-21","18:00:00",""
"4347823","10.8632","0.0019","20.893","0.004","18.388","0.003","90","","92.917","0.003","90","","4168","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H66 N3 Os P -","- C43 H66 N3 Os P -","- C172 H264 N12 Os4 P4 -","4","1","","Buil, María L; Cardo, Juan J. F.; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique","An Entry to Stable Mixed Phosphine-Osmium-NHC Polyhydrides.","Inorganic chemistry","2016","55","10","5062","5070","10.1021/acs.inorgchem.6b00658","","","0.71073","MoKα","","0.0484","0.0312","","","0.0721","0.0792","","","","","","1.025","","","","has coordinates","232523","2020-10-21","18:00:00",""
"4347824","13.10659","0.00025","13.10659","0.00025","8.77013","0.00024","90","","90","","120","","1304.72","0.05","300","","300","","","","","","","","","4","P -3 1 m","-P 3 2","162","","","CAU-20","- C13.49 Al N1.5 O7.5 -","- C13.491 Al N1.497 O7.497 -","- C26.982 Al2 N2.994 O14.994 -","2","0.166667","","Halis, Selda; Inge, A. Ken; Dehning, Niklas; Weyrich, Thomas; Reinsch, Helge; Stock, Norbert","Dihydroxybenzoquinone as Linker for the Synthesis of Permanently Porous Aluminum Metal-Organic Frameworks.","Inorganic chemistry","2016","55","15","7425","7431","10.1021/acs.inorgchem.6b00661","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","232524","2020-10-21","18:00:00",""
"4347825","13.13487","0.00084","13.13487","0.00084","17.4947","0.0011","90","","90","","120","","2613.9","0.3","300","","300","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","CAU-20-Cl2","- C34.78 Al2 Cl6 N5.59 O17.59 -","- C34.7796 Al2 Cl6 N5.5932 O17.5932 -","- C69.5592 Al4 Cl12 N11.1864 O35.1864 -","2","0.0833333","","Halis, Selda; Inge, A. Ken; Dehning, Niklas; Weyrich, Thomas; Reinsch, Helge; Stock, Norbert","Dihydroxybenzoquinone as Linker for the Synthesis of Permanently Porous Aluminum Metal-Organic Frameworks.","Inorganic chemistry","2016","55","15","7425","7431","10.1021/acs.inorgchem.6b00661","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","232525","2020-10-21","18:00:00",""
"4347826","12.8118","0.0019","26.867","0.004","13.384","0.002","90","","106.674","0.005","90","","4413.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H94 Cl2 Mn8 N26 O18 -","- C66 H94 Cl2 Mn8 N26 O18 -","- C132 H188 Cl4 Mn16 N52 O36 -","2","0.5","","Vicente, R.; El Fallah, M. S.; Casanovas, B.; Font-Bardia, M; Escuer, A.","A Ferromagnetic Salicylaldoximate/Azide Mn(II)2Mn(III)6 Cluster with an S = 17 Ground State and a Single-Molecule-Magnet Response.","Inorganic chemistry","2016","55","12","5735","5737","10.1021/acs.inorgchem.6b00662","","","0.71073","MoKα","","0.0739","0.0617","","","0.1403","0.1468","","","","","","1.113","","","","has coordinates","232526","2020-10-21","18:00:00",""
"4347827","8.2271","0.0016","10.418","0.002","15.527","0.003","98.48","0.03","101.72","0.03","99.71","0.03","1261.4","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 Br7 O6 Zn2 -","- C12 H24 Br7 O6 Zn2 -","- C24 H48 Br14 O12 Zn4 -","2","1","","Hausmann, David; Feldmann, Claus","Bromine-rich Zinc Bromides: Zn6Br12(18-crown-6)2×(Br2)5, Zn4Br8(18-crown-6)2×(Br2)3, and Zn6Br12(18-crown-6)2\τimes (Br2)2.","Inorganic chemistry","2016","55","12","6141","6147","10.1021/acs.inorgchem.6b00663","","","0.71073","MoKα","","0.0526","0.0438","","","0.1179","0.1226","","","","","","1.062","","","","has coordinates","232527","2020-10-21","18:00:00",""
"4347828","7.7801","0.0016","13.415","0.003","16.33","0.003","99.96","0.03","103.74","0.03","103.69","0.03","1560.4","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 Br11 O6 Zn3 -","- C12 H24 Br11 O6 Zn3 -","- C24 H48 Br22 O12 Zn6 -","2","1","","Hausmann, David; Feldmann, Claus","Bromine-rich Zinc Bromides: Zn6Br12(18-crown-6)2×(Br2)5, Zn4Br8(18-crown-6)2×(Br2)3, and Zn6Br12(18-crown-6)2\τimes (Br2)2.","Inorganic chemistry","2016","55","12","6141","6147","10.1021/acs.inorgchem.6b00663","","","0.71073","MoKα","","0.0719","0.0421","","","0.0978","0.1102","","","","","","0.888","","","","has coordinates","232528","2020-10-21","18:00:00",""
"4347829","8.899","0.0018","11.163","0.002","14.937","0.003","104.32","0.03","91.43","0.03","106.82","0.03","1368.7","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 Br8 O6 Zn3 -","- C12 H24 Br8 O6 Zn3 -","- C24 H48 Br16 O12 Zn6 -","2","1","","Hausmann, David; Feldmann, Claus","Bromine-rich Zinc Bromides: Zn6Br12(18-crown-6)2×(Br2)5, Zn4Br8(18-crown-6)2×(Br2)3, and Zn6Br12(18-crown-6)2\τimes (Br2)2.","Inorganic chemistry","2016","55","12","6141","6147","10.1021/acs.inorgchem.6b00663","","","0.71073","MoKα","","0.0564","0.0429","","","0.1092","0.1152","","","","","","0.996","","","","has coordinates","232529","2020-10-21","18:00:00",""
"4347830","11.1956","0.0004","11.2191","0.0004","15.974","0.0006","87.284","0.001","76.736","0.001","60.865","0.001","1700.91","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 B Fe N10 O3 -","- C28 H46 B Fe N10 O3 -","- C56 H92 B2 Fe2 N20 O6 -","2","1","","Jafri, Sadaf Fatima; Koumousi, Evangelia S.; Sainctavit, Philippe; Juhin, Amélie; Schuler, Vivien; Bun U, Oana; Mitcov, Dmitri; Dechambenoit, Pierre; Mathonière, Corine; Clérac, Rodolphe; Otero, Edwige; Ohresser, Philippe; Cartier Dit Moulin, Christophe; Arrio, Marie-Anne","Large Orbital Magnetic Moment Measured in the [TpFe(III)(CN)3](-) Precursor of Photomagnetic Molecular Prussian Blue Analogues.","Inorganic chemistry","2016","55","14","6980","6987","10.1021/acs.inorgchem.6b00664","","","0.71073","MoKα","","0.0741","0.063","","","0.1801","0.1937","","","","","","1.037","","","","has coordinates,has disorder","232530","2020-10-21","18:00:00",""
"4347831","10.1749","0.0009","14.2023","0.0012","17.2321","0.0013","86.48","0.005","77.936","0.004","84.995","0.005","2423.5","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H67 B N2 O6 P2 Ru -","- C46 H67 B N2 O6 P2 Ru -","- C92 H134 B2 N4 O12 P4 Ru2 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Bortoluzzi, Marco; Botter, Alessandra; Castro, Jesús","Pentamethylcyclopentadienyl Half-Sandwich Diazoalkane Complexes of Ruthenium: Preparation and Reactivity.","Inorganic chemistry","2016","55","11","5592","5602","10.1021/acs.inorgchem.6b00671","","","1.54178","CuKα","","0.0693","0.0579","","","0.1464","0.1564","","","","","","1.04","","","","has coordinates","232531","2020-10-21","18:00:00",""
"4347832","13.7683","0.001","21.0912","0.0018","19.7024","0.0014","90","","94.161","0.003","90","","5706.3","0.8","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H73 B N2 O6 P2 Ru -","- C59 H73 B N2 O6 P2 Ru -","- C236 H292 B4 N8 O24 P8 Ru4 -","4","1","","Albertin, Gabriele; Antoniutti, Stefano; Bortoluzzi, Marco; Botter, Alessandra; Castro, Jesús","Pentamethylcyclopentadienyl Half-Sandwich Diazoalkane Complexes of Ruthenium: Preparation and Reactivity.","Inorganic chemistry","2016","55","11","5592","5602","10.1021/acs.inorgchem.6b00671","","","1.54178","CuKα","","0.0693","0.0484","","","0.1267","0.1423","","","","","","1.041","","","","has coordinates","232532","2020-10-21","18:00:00",""
"4347833","16.1004","0.0012","10.5361","0.0008","13.4658","0.001","90","","102.834","0.002","90","","2227.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H33 Cl5 N3 Ta -","- C14 H33 Cl5 N3 Ta -","- C56 H132 Cl20 N12 Ta4 -","4","1","","Rahman, Md Mamdudur; Smith, Mark D.; Peryshkov, Dmitry V.","Formation of a Cationic Vinylimido Group upon C-H Activation of Nitriles by Trialkylamines in the Presence of TaCl5.","Inorganic chemistry","2016","55","11","5101","5103","10.1021/acs.inorgchem.6b00677","","","0.71073","MoKα","","0.0287","0.0228","","","0.0499","0.0529","","","","","","1.044","","","","has coordinates","232533","2020-10-21","18:00:00",""
"4347834","15.0296","0.0008","8.6155","0.0004","13.6508","0.0007","90","","90","","90","","1767.61","0.15","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H22 Cl4 N3 Ta -","- C11 H22 Cl4 N3 Ta -","- C44 H88 Cl16 N12 Ta4 -","4","1","","Rahman, Md Mamdudur; Smith, Mark D.; Peryshkov, Dmitry V.","Formation of a Cationic Vinylimido Group upon C-H Activation of Nitriles by Trialkylamines in the Presence of TaCl5.","Inorganic chemistry","2016","55","11","5101","5103","10.1021/acs.inorgchem.6b00677","","x-ray","0.71073","MoKα","","0.013","0.0127","","","0.0308","0.031","","","","","","1.126","","","","has coordinates","232533","2020-10-21","18:00:00",""
"4347835","9.2314","0.0004","15.3766","0.0006","14.7811","0.0006","90","","97.673","0.002","90","","2079.35","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 Cl4 N3 Ta -","- C14 H28 Cl4 N3 Ta -","- C56 H112 Cl16 N12 Ta4 -","4","1","","Rahman, Md Mamdudur; Smith, Mark D.; Peryshkov, Dmitry V.","Formation of a Cationic Vinylimido Group upon C-H Activation of Nitriles by Trialkylamines in the Presence of TaCl5.","Inorganic chemistry","2016","55","11","5101","5103","10.1021/acs.inorgchem.6b00677","","x-ray","0.71073","MoKα","","0.032","0.0281","","","0.0523","0.0531","","","","","","1.261","","","","has coordinates","232533","2020-10-21","18:00:00",""
"4347836","17.6001","0.0006","17.6001","0.0006","33.3526","0.0013","90","","90","","90","","10331.4","0.6","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C18 H35 Cl4 N4 Ta -","- C18 H35 Cl4 N4 Ta -","- C288 H560 Cl64 N64 Ta16 -","16","1","","Rahman, Md Mamdudur; Smith, Mark D.; Peryshkov, Dmitry V.","Formation of a Cationic Vinylimido Group upon C-H Activation of Nitriles by Trialkylamines in the Presence of TaCl5.","Inorganic chemistry","2016","55","11","5101","5103","10.1021/acs.inorgchem.6b00677","","x-ray","0.71073","MoKα","","0.0322","0.0205","","","0.0421","0.0454","","","","","","1.036","","","","has coordinates,has disorder","232533","2020-10-21","18:00:00",""
"4347837","13.7022","0.0014","13.7022","0.0014","13.5358","0.001","90","","90","","90","","2541.4","0.4","296","2","296","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C66 H32 Mn2 N18 O -","- C66 H32 Mn2 N18 O -","- C132 H64 Mn4 N36 O2 -","2","0.125","","Ikeda, Mitsuo; Murakawa, Hiroshi; Matsuda, Masaki; Hanasaki, Noriaki","Phthalocyanine-Based Single-Component Molecular Conductor [Mn(III)(Pc)(CN)]2O.","Inorganic chemistry","2016","55","15","7314","7316","10.1021/acs.inorgchem.6b00678","","","0.71075","MoKα","","0.1159","0.0726","","","0.1614","0.1874","","","","","","1.121","","","","has coordinates,has disorder","232534","2020-10-21","18:00:00",""
"4347838","11.351","0.0007","16.411","0.0012","20.117","0.0014","79.136","0.002","86.923","0.002","80.854","0.002","3632.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","tap014","","","- C50 H53.5 Ce K4 N10 O18 -","- C49.824 H53.648 Ce K4 N10 O18 -","- C99.648 H107.296 Ce2 K8 N20 O36 -","2","1","","Pham, Tiffany A.; Altman, Alison B.; Stieber, S Chantal E; Booth, Corwin H.; Kozimor, Stosh A.; Lukens, Wayne W.; Olive, Daniel T.; Tyliszczak, Tolek; Wang, Jian; Minasian, Stefan G.; Raymond, Kenneth N.","A Macrocyclic Chelator That Selectively Binds Ln<sup>4+</sup> over Ln<sup>3+</sup> by a Factor of 10<sup>29</sup>.","Inorganic chemistry","2016","55","20","9989","10002","10.1021/acs.inorgchem.6b00684","","","0.71073","MoKα","","0.1036","0.0815","","","0.2353","0.2614","","","","","","1.134","","","","has coordinates,has disorder","232535","2020-10-21","18:00:00",""
"4347839","15.736","0.0006","17.9229","0.0005","16.645","0.0006","90","","113.592","0.001","90","","4302.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H47 Au2 Cl4 N2 P -","- C44 H47 Au2 Cl4 N2 P -","- C176 H188 Au8 Cl16 N8 P4 -","4","1","","Han, Zeyu; Bates, Joshua I.; Strehl, Dominik; Patrick, Brian O.; Gates, Derek P.","Homo- and Heteropolynuclear Complexes Containing Bidentate Bridging 4-Phosphino-N-Heterocyclic Carbene Ligands.","Inorganic chemistry","2016","55","10","5071","5078","10.1021/acs.inorgchem.6b00686","","","0.71073","MoKα","","0.062","0.0344","","","0.0782","0.0891","","","","","","1.016","","","","has coordinates","232536","2020-10-21","18:00:00",""
"4347840","17.3805","0.0014","26.341","0.002","18.4972","0.0014","90","","108.149","0.002","90","","8047.1","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H96 Au Cl5 N4 O P2 -","- C88 H94 Au Cl5 N4 O P2 -","- C352 H376 Au4 Cl20 N16 O4 P8 -","4","1","","Han, Zeyu; Bates, Joshua I.; Strehl, Dominik; Patrick, Brian O.; Gates, Derek P.","Homo- and Heteropolynuclear Complexes Containing Bidentate Bridging 4-Phosphino-N-Heterocyclic Carbene Ligands.","Inorganic chemistry","2016","55","10","5071","5078","10.1021/acs.inorgchem.6b00686","","","0.71073","MoKα","","0.06","0.0363","","","0.0861","0.0964","","","","","","1.104","","","","has coordinates","232536","2020-10-21","18:00:00",""
"4347841","21.8187","0.0014","16.8991","0.001","22.4603","0.0013","90","","91.469","0.001","90","","8278.8","0.9","90","2","90","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C82 H104 Au4 Cl4 F4 N4 O2 P2 -","- C82 H104 Au4 Cl4 F4 N4 O2 P2 -","- C328 H416 Au16 Cl16 F16 N16 O8 P8 -","4","0.5","","Han, Zeyu; Bates, Joshua I.; Strehl, Dominik; Patrick, Brian O.; Gates, Derek P.","Homo- and Heteropolynuclear Complexes Containing Bidentate Bridging 4-Phosphino-N-Heterocyclic Carbene Ligands.","Inorganic chemistry","2016","55","10","5071","5078","10.1021/acs.inorgchem.6b00686","","","0.71073","MoKα","","0.0498","0.033","","","0.0749","0.0822","","","","","","1.043","","","","has coordinates,has disorder","232536","2020-10-21","18:00:00",""
"4347842","14.499","0.0015","20.5435","0.0018","18.1531","0.0017","90","","108.275","0.003","90","","5134.4","0.9","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H57 Au Cl7 N2 P Pd S -","- C49 H57 Au Cl7 N2 P Pd S -","- C196 H228 Au4 Cl28 N8 P4 Pd4 S4 -","4","1","","Han, Zeyu; Bates, Joshua I.; Strehl, Dominik; Patrick, Brian O.; Gates, Derek P.","Homo- and Heteropolynuclear Complexes Containing Bidentate Bridging 4-Phosphino-N-Heterocyclic Carbene Ligands.","Inorganic chemistry","2016","55","10","5071","5078","10.1021/acs.inorgchem.6b00686","","","0.71073","MoKα","","0.0745","0.0509","","","0.1248","0.1344","","","","","","1.081","","","","has coordinates,has disorder","232536","2020-10-21","18:00:00",""
"4347843","9.6129","0.0014","16.501","0.003","28.666","0.004","90","","99.044","0.004","90","","4490.5","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 N2 O2 S3 -","- C23 H28 N2 O2 S3 -","- C184 H224 N16 O16 S24 -","8","2","","Ju, Huiyeong; Chang, Duk Jin; Kim, Seulgi; Ryu, Hyunsoo; Lee, Eunji; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Cation-Selective and Anion-Controlled Fluorogenic Behaviors of a Benzothiazole-Attached Macrocycle That Correlate with Structural Coordination Modes.","Inorganic chemistry","2016","55","15","7448","7456","10.1021/acs.inorgchem.6b00690","","","0.71073","MoKα","","0.0754","0.0566","","","0.1228","0.1309","","","","","","1.119","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347844","15.6285","0.0003","45.2239","0.0007","13.7133","0.0002","90","","99.441","0.001","90","","9561","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23.66667 H29.33333 Cl3.33333 Hg N2 O10 S3 -","- C23.6667 H29.3333 Cl3.33333 Hg N2 O10 S3 -","- C284 H352 Cl40 Hg12 N24 O120 S36 -","12","3","","Ju, Huiyeong; Chang, Duk Jin; Kim, Seulgi; Ryu, Hyunsoo; Lee, Eunji; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Cation-Selective and Anion-Controlled Fluorogenic Behaviors of a Benzothiazole-Attached Macrocycle That Correlate with Structural Coordination Modes.","Inorganic chemistry","2016","55","15","7448","7456","10.1021/acs.inorgchem.6b00690","","","0.71073","MoKα","","0.0783","0.0492","","","0.112","0.1261","","","","","","1.03","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4347845","17.099","0.0012","8.9972","0.0006","17.7378","0.0013","90","","95.581","0.001","90","","2715.9","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 Hg I2 N2 O2 S3 -","- C23 H28 Hg I2 N2 O2 S3 -","- C92 H112 Hg4 I8 N8 O8 S12 -","4","1","","Ju, Huiyeong; Chang, Duk Jin; Kim, Seulgi; Ryu, Hyunsoo; Lee, Eunji; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Cation-Selective and Anion-Controlled Fluorogenic Behaviors of a Benzothiazole-Attached Macrocycle That Correlate with Structural Coordination Modes.","Inorganic chemistry","2016","55","15","7448","7456","10.1021/acs.inorgchem.6b00690","","","0.71073","MoKα","","0.0302","0.0253","","","0.0567","0.0587","","","","","","1.024","","","","has coordinates","232537","2020-10-21","18:00:00",""
"4347846","11.4566","0.0002","9.4566","0.0002","18.9883","0.0004","90","","93.908","0.002","90","","2052.42","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 F5 N2 Pt S Tl -","- C22 H12 F5 N2 Pt S Tl -","- C88 H48 F20 N8 Pt4 S4 Tl4 -","4","1","","Berenguer, Jesús R; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Sánchez, Sergio; Shahsavari, Hamid R.","Binuclear Complexes and Extended Chains Featuring Pt(II)-Tl(I) Bonds: Influence of the Pyridine-2-Thiolate and Cyclometalated Ligands on the Self-Assembly and Luminescent Behavior.","Inorganic chemistry","2016","55","16","7866","7878","10.1021/acs.inorgchem.6b00699","","","0.71073","MoKα","","0.0291","0.0253","","","0.0626","0.0649","","","","","","1.049","","","","has coordinates","232538","2020-10-21","18:00:00",""
"4347847","11.5608","0.0004","9.357","0.0003","20.3905","0.0004","90","","95.193","0.002","90","","2196.68","0.11","173","1","173","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 F5 N2 Pt S Tl -","- C24 H12 F5 N2 Pt S Tl -","- C96 H48 F20 N8 Pt4 S4 Tl4 -","4","1","","Berenguer, Jesús R; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Sánchez, Sergio; Shahsavari, Hamid R.","Binuclear Complexes and Extended Chains Featuring Pt(II)-Tl(I) Bonds: Influence of the Pyridine-2-Thiolate and Cyclometalated Ligands on the Self-Assembly and Luminescent Behavior.","Inorganic chemistry","2016","55","16","7866","7878","10.1021/acs.inorgchem.6b00699","","x-ray","0.71073","MoKα","","0.0307","0.0232","","","0.0546","0.0578","","","","","","1.075","","","","has coordinates","232538","2020-10-21","18:00:00",""
"4347848","13.456","0.0004","7.707","0.0001","21.957","0.0006","90","","101.286","0.001","90","","2233.03","0.1","173","1","173","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H11 F8 N2 Pt S Tl -","- C23 H11 F8 N2 Pt S Tl -","- C92 H44 F32 N8 Pt4 S4 Tl4 -","4","1","","Berenguer, Jesús R; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Sánchez, Sergio; Shahsavari, Hamid R.","Binuclear Complexes and Extended Chains Featuring Pt(II)-Tl(I) Bonds: Influence of the Pyridine-2-Thiolate and Cyclometalated Ligands on the Self-Assembly and Luminescent Behavior.","Inorganic chemistry","2016","55","16","7866","7878","10.1021/acs.inorgchem.6b00699","","x-ray","0.71073","MoKα","","0.0243","0.0211","","","0.049","0.0501","","","","","","1.075","","","","has coordinates","232538","2020-10-21","18:00:00",""
"4347849","13.2756","0.0003","6.539","0.0001","27.554","0.0007","90","","103.447","0.002","90","","2326.37","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H11 F8 N2 Pt S Tl -","- C25 H11 F8 N2 Pt S Tl -","- C100 H44 F32 N8 Pt4 S4 Tl4 -","4","1","","Berenguer, Jesús R; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Sánchez, Sergio; Shahsavari, Hamid R.","Binuclear Complexes and Extended Chains Featuring Pt(II)-Tl(I) Bonds: Influence of the Pyridine-2-Thiolate and Cyclometalated Ligands on the Self-Assembly and Luminescent Behavior.","Inorganic chemistry","2016","55","16","7866","7878","10.1021/acs.inorgchem.6b00699","","","0.71073","MoKα","","0.0319","0.025","","","0.0536","0.0566","","","","","","1.085","","","","has coordinates","232538","2020-10-21","18:00:00",""
"4347850","11.5807","0.0002","14.243","0.0003","27.0122","0.0005","90","","90","","90","","4455.5","0.15","180","2","180","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C37.5 H29.5 Er F9 N7.5 O9 S3 -","- C33 H22 Er F9 N6 O9 S3 -","- C132 H88 Er4 F36 N24 O36 S12 -","4","0.5","","Suffren, Yan; Golesorkhi, Bahman; Zare, Davood; Guénée, Laure; Nozary, Homayoun; Eliseeva, Svetlana V.; Petoud, Stéphane; Hauser, Andreas; Piguet, Claude","Taming Lanthanide-Centered Upconversion at the Molecular Level.","Inorganic chemistry","2016","55","20","9964","9972","10.1021/acs.inorgchem.6b00700","","x-ray","1.54184","CuKα","","0.043","0.0378","","","0.0981","0.1027","","","","","","1.037","","","","has coordinates","232539","2020-10-21","18:00:00",""
"4347851","8.9809","0.0004","11.5439","0.0003","11.9873","0.0005","90","","111.512","0.005","90","","1156.21","0.09","123.01","0.1","123.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H22 F N O2 Pt S2 -","- C26 H22 F N O2 Pt S2 -","- C52 H44 F2 N2 O4 Pt2 S4 -","2","1","","Shafikov, Marsel Z.; Kozhevnikov, Dmitry N.; Bodensteiner, Michael; Brandl, Fabian; Czerwieniec, Rafał","Modulation of Intersystem Crossing Rate by Minor Ligand Modifications in Cyclometalated Platinum(II) Complexes.","Inorganic chemistry","2016","55","15","7457","7466","10.1021/acs.inorgchem.6b00704","","x-ray","1.54184","CuKα","","0.032","0.0311","","","0.0811","0.0819","","","","","","1.036","","","","has coordinates,has disorder","232540","2020-10-21","18:00:00",""
"4347852","20.6742","0.0005","17.3852","0.0004","7.07539","0.00016","90","","90","","90","","2543.07","0.1","123","0.14","123","0.14","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C29 H26 F N O2 Pt S2 -","- C29 H26 F N O2 Pt S2 -","- C116 H104 F4 N4 O8 Pt4 S8 -","4","1","","Shafikov, Marsel Z.; Kozhevnikov, Dmitry N.; Bodensteiner, Michael; Brandl, Fabian; Czerwieniec, Rafał","Modulation of Intersystem Crossing Rate by Minor Ligand Modifications in Cyclometalated Platinum(II) Complexes.","Inorganic chemistry","2016","55","15","7457","7466","10.1021/acs.inorgchem.6b00704","","x-ray","1.54184","CuKα","","0.0671","0.0576","","","0.1571","0.1694","","","","","","1.092","","","","has coordinates,has disorder","232540","2020-10-21","18:00:00",""
"4347853","10.1257","0.0004","13.9327","0.0006","15.1393","0.001","111.094","0.008","98.398","0.007","107.056","0.008","1827.7","0.2","100","","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H74 N8 Ni2 O20 Sm2 -","- C80 H74 N8 Ni2 O20 Sm2 -","- C80 H74 N8 Ni2 O20 Sm2 -","1","0.5","","Griffiths, Kieran; Kumar, Prashant; Mattock, James D.; Abdul-Sada, Alaa; Pitak, Mateusz B.; Coles, Simon J.; Navarro, Oscar; Vargas, Alfredo; Kostakis, George E.","Efficient Ni(II)2Ln(III)2 Electrocyclization Catalysts for the Synthesis of trans-4,5-Diaminocyclopent-2-enones from 2-Furaldehyde and Primary or Secondary Amines.","Inorganic chemistry","2016","55","14","6988","6994","10.1021/acs.inorgchem.6b00720","","","0.71075","MoKα","","0.0373","0.0316","","","0.0765","0.0789","","","","","","1.067","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347854","12.8651","0.0012","13.5435","0.0012","14.0419","0.0012","100.536","0.007","106.682","0.008","114.818","0.008","1993.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H76 N8 O20 Sm4 -","- C88 H76 N8 O20 Sm4 -","- C88 H76 N8 O20 Sm4 -","1","0.5","","Griffiths, Kieran; Kumar, Prashant; Mattock, James D.; Abdul-Sada, Alaa; Pitak, Mateusz B.; Coles, Simon J.; Navarro, Oscar; Vargas, Alfredo; Kostakis, George E.","Efficient Ni(II)2Ln(III)2 Electrocyclization Catalysts for the Synthesis of trans-4,5-Diaminocyclopent-2-enones from 2-Furaldehyde and Primary or Secondary Amines.","Inorganic chemistry","2016","55","14","6988","6994","10.1021/acs.inorgchem.6b00720","","","0.71075","MoKα","","0.0303","0.0246","","","0.0582","0.0604","","","","","","1.037","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347855","17.327","0.018","14.386","0.015","47.92","0.05","90","","97.977","0.015","90","","11829","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C105 H90 N8 Ni5 O28 Sm2 -","- C105 H90 N8 Ni5 O28 Sm2 -","- C420 H360 N32 Ni20 O112 Sm8 -","4","1","","Griffiths, Kieran; Kumar, Prashant; Mattock, James D.; Abdul-Sada, Alaa; Pitak, Mateusz B.; Coles, Simon J.; Navarro, Oscar; Vargas, Alfredo; Kostakis, George E.","Efficient Ni(II)2Ln(III)2 Electrocyclization Catalysts for the Synthesis of trans-4,5-Diaminocyclopent-2-enones from 2-Furaldehyde and Primary or Secondary Amines.","Inorganic chemistry","2016","55","14","6988","6994","10.1021/acs.inorgchem.6b00720","","","0.71075","MoKα","","0.136","0.0952","","","0.2511","0.2744","","","","","","1.011","","","","has coordinates","232541","2020-10-21","18:00:00",""
"4347856","16.89378","0.00009","16.89378","0.00009","25.8611","0.0002","90","","90","","90","","7380.75","0.08","100","2","100","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C120 H122 Cl4 Eu4 N10 Ni8 O50 -","- C120 H122 Cl4 Eu4 N10 Ni8 O50 -","- C240 H244 Cl8 Eu8 N20 Ni16 O100 -","2","0.25","","Griffiths, Kieran; Kumar, Prashant; Mattock, James D.; Abdul-Sada, Alaa; Pitak, Mateusz B.; Coles, Simon J.; Navarro, Oscar; Vargas, Alfredo; Kostakis, George E.","Efficient Ni(II)2Ln(III)2 Electrocyclization Catalysts for the Synthesis of trans-4,5-Diaminocyclopent-2-enones from 2-Furaldehyde and Primary or Secondary Amines.","Inorganic chemistry","2016","55","14","6988","6994","10.1021/acs.inorgchem.6b00720","","","0.71075","MoKα","","0.028","0.0268","","","0.0897","0.0904","","","","","","1.174","","","","has coordinates,has disorder","232541","2020-10-21","18:00:00",""
"4347857","11.9923","0.0004","12.8768","0.0004","16.6543","0.0006","107.146","0.003","107.314","0.003","95.136","0.003","2301.43","0.15","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C74 H74 Cl2 N6 Ni2 O14 Y2 -","- C74 H74 Cl2 N6 Ni2 O14 Y2 -","- C74 H74 Cl2 N6 Ni2 O14 Y2 -","1","0.5","","Griffiths, Kieran; Kumar, Prashant; Mattock, James D.; Abdul-Sada, Alaa; Pitak, Mateusz B.; Coles, Simon J.; Navarro, Oscar; Vargas, Alfredo; Kostakis, George E.","Efficient Ni(II)2Ln(III)2 Electrocyclization Catalysts for the Synthesis of trans-4,5-Diaminocyclopent-2-enones from 2-Furaldehyde and Primary or Secondary Amines.","Inorganic chemistry","2016","55","14","6988","6994","10.1021/acs.inorgchem.6b00720","","x-ray","1.54184","CuKα","","0.1003","0.087","","","0.235","0.2471","","","","","","1.04","","","","has coordinates","232541","2020-10-21","18:00:00",""
"4347858","28.0407","0.0005","13.00973","0.00016","24.9789","0.0006","90","","111.55","0.003","90","","8475.4","0.3","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C328 H302 Cl8 N28 Ni8 O61 Y8 -","- C328 H302 Cl8 N28 Ni8 O61 Y8 -","- C328 H302 Cl8 N28 Ni8 O61 Y8 -","1","0.125","","Griffiths, Kieran; Kumar, Prashant; Mattock, James D.; Abdul-Sada, Alaa; Pitak, Mateusz B.; Coles, Simon J.; Navarro, Oscar; Vargas, Alfredo; Kostakis, George E.","Efficient Ni(II)2Ln(III)2 Electrocyclization Catalysts for the Synthesis of trans-4,5-Diaminocyclopent-2-enones from 2-Furaldehyde and Primary or Secondary Amines.","Inorganic chemistry","2016","55","14","6988","6994","10.1021/acs.inorgchem.6b00720","","x-ray","1.54184","CuKα","","0.0791","0.0721","","","0.2106","0.2205","","","","","","1.077","","","","has coordinates,has disorder","232541","2020-10-21","18:00:00",""
"4347859","12.4631","0.0007","12.9437","0.0006","15.0457","0.001","100.653","0.004","101.291","0.005","103.269","0.004","2248.5","0.2","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C90 H82 Cl2 N6 Ni2 O14 Y2 -","- C90 H82 Cl2 N6 Ni2 O14 Y2 -","- C90 H82 Cl2 N6 Ni2 O14 Y2 -","1","0.5","","Griffiths, Kieran; Kumar, Prashant; Mattock, James D.; Abdul-Sada, Alaa; Pitak, Mateusz B.; Coles, Simon J.; Navarro, Oscar; Vargas, Alfredo; Kostakis, George E.","Efficient Ni(II)2Ln(III)2 Electrocyclization Catalysts for the Synthesis of trans-4,5-Diaminocyclopent-2-enones from 2-Furaldehyde and Primary or Secondary Amines.","Inorganic chemistry","2016","55","14","6988","6994","10.1021/acs.inorgchem.6b00720","","x-ray","1.54184","CuKα","","0.0542","0.0476","","","0.1253","0.1292","","","","","","1.015","","","","has coordinates","232541","2020-10-21","18:00:00",""
"4347860","10.728","0.008","12.232","0.009","14.655","0.011","97.723","0.008","95.778","0.016","98.25","0.012","1872","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H27 Cl N8 O6 Ru -","- C36 H27 Cl N8 O6 Ru -","- C72 H54 Cl2 N16 O12 Ru2 -","2","1","","Ansari, Mohd Asif; Mandal, Abhishek; Paretzki, Alexa; Beyer, Katharina; Fiedler, Jan; Kaim, Wolfgang; Lahiri, Goutam Kumar","1,5-Diamido-9,10-anthraquinone, a Centrosymmetric Redox-Active Bridge with Two Coupled β-Ketiminato Chelate Functions: Symmetric and Asymmetric Diruthenium Complexes.","Inorganic chemistry","2016","55","11","5655","5670","10.1021/acs.inorgchem.6b00726","","","0.7107","MoKα","","0.0907","0.0744","","","0.1827","0.1973","","","","","","1.072","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347861","8.1099","0.0011","17.974","0.003","22.268","0.003","90","","92.85","0.002","90","","3241.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 Cl N7 O6 Ru -","- C36 H28 Cl N7 O6 Ru -","- C144 H112 Cl4 N28 O24 Ru4 -","4","1","","Ansari, Mohd Asif; Mandal, Abhishek; Paretzki, Alexa; Beyer, Katharina; Fiedler, Jan; Kaim, Wolfgang; Lahiri, Goutam Kumar","1,5-Diamido-9,10-anthraquinone, a Centrosymmetric Redox-Active Bridge with Two Coupled β-Ketiminato Chelate Functions: Symmetric and Asymmetric Diruthenium Complexes.","Inorganic chemistry","2016","55","11","5655","5670","10.1021/acs.inorgchem.6b00726","","","0.71075","MoKα","","0.0397","0.0347","","","0.1044","0.115","","","","","","1.047","","","","has coordinates","232543","2020-10-21","18:00:00",""
"4347862","25.508","0.008","19.588","0.006","27.68","0.009","90","","99.425","0.005","90","","13644","7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 Cl2 N14 O10 Ru2 -","- C58 H44 Cl2 N14 O10 Ru2 -","- C464 H352 Cl16 N112 O80 Ru16 -","8","1","","Ansari, Mohd Asif; Mandal, Abhishek; Paretzki, Alexa; Beyer, Katharina; Fiedler, Jan; Kaim, Wolfgang; Lahiri, Goutam Kumar","1,5-Diamido-9,10-anthraquinone, a Centrosymmetric Redox-Active Bridge with Two Coupled β-Ketiminato Chelate Functions: Symmetric and Asymmetric Diruthenium Complexes.","Inorganic chemistry","2016","55","11","5655","5670","10.1021/acs.inorgchem.6b00726","","","0.7107","MoKα","","0.0877","0.0744","","","0.1922","0.2049","","","","","","1.076","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347863","12.451","0.005","13.288","0.006","18.535","0.008","90","","90.214","0.006","90","","3067","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 Cl2 N10 O10 Ru2 -","- C54 H40 Cl2 N10 O10 Ru2 -","- C108 H80 Cl4 N20 O20 Ru4 -","2","0.5","","Ansari, Mohd Asif; Mandal, Abhishek; Paretzki, Alexa; Beyer, Katharina; Fiedler, Jan; Kaim, Wolfgang; Lahiri, Goutam Kumar","1,5-Diamido-9,10-anthraquinone, a Centrosymmetric Redox-Active Bridge with Two Coupled β-Ketiminato Chelate Functions: Symmetric and Asymmetric Diruthenium Complexes.","Inorganic chemistry","2016","55","11","5655","5670","10.1021/acs.inorgchem.6b00726","","","0.7107","MoKα","","0.0948","0.0788","","","0.1994","0.2113","","","","","","1.041","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347864","12.864","0.0019","12.864","0.0019","12.864","0.0019","90","","90","","90","","2128.8","0.5","140","1","140","1","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C8 H24 Cl6 N2 Pu -","- C8 H24.48 Cl6 N2 Pu -","- C32 H97.92 Cl24 N8 Pu4 -","4","0.0208333","","Mounce, Andrew M.; Yasuoka, Hiroshi; Koutroulakis, Georgios; Lee, Jeongseop A.; Cho, Herman; Gendron, Frédéric; Zurek, Eva; Scott, Brian L.; Trujillo, Julie A.; Slemmons, Alice K.; Cross, Justin N.; Thompson, Joe D.; Kozimor, Stosh A.; Bauer, Eric D.; Autschbach, Jochen; Clark, David L.","Nuclear Magnetic Resonance Measurements and Electronic Structure of Pu(IV) in [(Me)4N]2PuCl6.","Inorganic chemistry","2016","55","17","8371","8380","10.1021/acs.inorgchem.6b00735","","","0.71073","MoKα","","0.0447","0.0434","","","0.1075","0.1078","","","","","","2.658","","","","has coordinates","232546","2020-10-21","18:00:00",""
"4347865","13.58159","0.00005","13.58159","0.00005","13.58159","0.00005","90","","90","","90","","2505.25","0.016","300","","300","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","Ytterbium(III)guanidinate","","","- C3 H12 N9 Yb -","- C3 H12 N9 Yb -","- C24 H96 N72 Yb8 -","8","0.333333","","Görne, Arno L; George, Janine; van Leusen, Jan; Dück, Gerald; Jacobs, Philipp; Chogondahalli Muniraju, Naveen Kumar; Dronskowski, Richard","Ammonothermal Synthesis, Crystal Structure, and Properties of the Ytterbium(II) and Ytterbium(III) Amides and the First Two Rare-Earth-Metal Guanidinates, YbC(NH)3 and Yb(CN3H4)3.","Inorganic chemistry","2016","55","12","6161","6168","10.1021/acs.inorgchem.6b00736","powder diffraction","","2.665","TOFNeutronDiffraction","","","","","","","","","6.1821","1.64","","","","","","","has coordinates","232547","2020-10-21","18:00:00",""
"4347866","5.25963","0.00015","5.25963","0.00015","6.67042","0.00019","90","","90","","120","","159.806","0.008","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","Ytterbium(II)guanidinate","","","- C H3 N3 Yb -","- C H3 N3 Yb -","- C2 H6 N6 Yb2 -","2","0.166667","","Görne, Arno L; George, Janine; van Leusen, Jan; Dück, Gerald; Jacobs, Philipp; Chogondahalli Muniraju, Naveen Kumar; Dronskowski, Richard","Ammonothermal Synthesis, Crystal Structure, and Properties of the Ytterbium(II) and Ytterbium(III) Amides and the First Two Rare-Earth-Metal Guanidinates, YbC(NH)3 and Yb(CN3H4)3.","Inorganic chemistry","2016","55","12","6161","6168","10.1021/acs.inorgchem.6b00736","powder diffraction","x-ray","1.5406","CuKα1","","0.0554","0.0554","","0.096","0.096","","","","7.64","","","","","","","has coordinates","232548","2020-10-21","18:00:00",""
"4347867","5.19598","0.00013","5.19598","0.00013","10.4129","0.0004","90","","90","","90","","281.13","0.015","293","","293","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","Ytterbium(II)amide","","","- H4 N2 Yb -","- H4 N2 Yb -","- H16 N8 Yb4 -","4","0.125","","Görne, Arno L; George, Janine; van Leusen, Jan; Dück, Gerald; Jacobs, Philipp; Chogondahalli Muniraju, Naveen Kumar; Dronskowski, Richard","Ammonothermal Synthesis, Crystal Structure, and Properties of the Ytterbium(II) and Ytterbium(III) Amides and the First Two Rare-Earth-Metal Guanidinates, YbC(NH)3 and Yb(CN3H4)3.","Inorganic chemistry","2016","55","12","6161","6168","10.1021/acs.inorgchem.6b00736","powder diffraction","x-ray","1.5406","CuKα1","","0.0453","0.0453","","0.0481","0.0481","","","","1.02","","","","","","","has coordinates","232549","2020-10-21","18:00:00",""
"4347868","13.5307","0.0003","13.5307","0.0003","13.5307","0.0003","90","","90","","90","","2477.2","0.1","10","","10","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","Ytterbium(III)guanidinate","","","- C3 H12 N9 Yb -","- C3 H12 N9 Yb -","- C24 H96 N72 Yb8 -","8","0.333333","","Görne, Arno L; George, Janine; van Leusen, Jan; Dück, Gerald; Jacobs, Philipp; Chogondahalli Muniraju, Naveen Kumar; Dronskowski, Richard","Ammonothermal Synthesis, Crystal Structure, and Properties of the Ytterbium(II) and Ytterbium(III) Amides and the First Two Rare-Earth-Metal Guanidinates, YbC(NH)3 and Yb(CN3H4)3.","Inorganic chemistry","2016","55","12","6161","6168","10.1021/acs.inorgchem.6b00736","powder diffraction","","2.665","TOFNeutronDiffraction","","","","","","","","","3.9879","2.55","","","","","","","has coordinates","232550","2020-10-21","18:00:00",""
"4347869","16.289","0.002","18.797","0.003","16.207","0.002","90","","90","","90","","4962.3","1.2","123","2","123","2","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C36 F24 N14 O28 P4 Pt4 Ru4 -","- C36 F24 N14 O28 P4 Pt4 Ru4 -","- C72 F48 N28 O56 P8 Pt8 Ru8 -","2","0.25","","Uemura, Kazuhiro; Uesugi, Naoyuki; Matsuyama, Akina; Ebihara, Masahiro; Yoshikawa, Hirofumi; Awaga, Kunio","Integration of Paramagnetic Diruthenium Complexes into an Extended Chain by Heterometallic Metal-Metal Bonds with Diplatinum Complexes.","Inorganic chemistry","2016","55","14","7003","7011","10.1021/acs.inorgchem.6b00741","","","0.7107","MoKα","","0.0789","0.0697","","","0.2327","0.2476","","","","","","1.793","","","","has coordinates","232551","2020-10-21","18:00:00",""
"4347870","20.221","0.005","10.807","0.007","12.736","0.011","90","","90","","90","","2783","3","296","2","293","2","","","","","","","","9","P m m a","-P 2a 2a","51","","","","- C22 H24 Cl F12 N6 O14 P2 Pt2 Ru2 -","- C22 H24 Cl F12 N6 O14 P2 Pt2 Ru2 -","- C44 H48 Cl2 F24 N12 O28 P4 Pt4 Ru4 -","2","0.25","","Uemura, Kazuhiro; Uesugi, Naoyuki; Matsuyama, Akina; Ebihara, Masahiro; Yoshikawa, Hirofumi; Awaga, Kunio","Integration of Paramagnetic Diruthenium Complexes into an Extended Chain by Heterometallic Metal-Metal Bonds with Diplatinum Complexes.","Inorganic chemistry","2016","55","14","7003","7011","10.1021/acs.inorgchem.6b00741","","","0.7107","MoKα","","0.1209","0.108","","","0.2541","0.2591","","","","","","1.685","","","","has coordinates","232552","2020-10-21","18:00:00",""
"4347871","21.404","0.005","21.404","0.005","35.979","0.008","90","","90","","120","","14275","6","293","2","293","2","","","","","","","","8","P 63/m m c","-P 6c 2c","194","","","","- C84 H228 F78 N38 O42 P13 Pt12 Ru9 -","- C84 H228 F78.02 N38 O42 P13 Pt12 Ru9 -","- C168 H456 F156.04 N76 O84 P26 Pt24 Ru18 -","2","0.0833333","","Uemura, Kazuhiro; Uesugi, Naoyuki; Matsuyama, Akina; Ebihara, Masahiro; Yoshikawa, Hirofumi; Awaga, Kunio","Integration of Paramagnetic Diruthenium Complexes into an Extended Chain by Heterometallic Metal-Metal Bonds with Diplatinum Complexes.","Inorganic chemistry","2016","55","14","7003","7011","10.1021/acs.inorgchem.6b00741","","","0.7107","MoKα","","0.3256","0.2496","","","0.427","0.4557","","","","","","1.993","","","","has coordinates","232553","2020-10-21","18:00:00",""
"4347872","36.098","0.015","12.99","0.005","26.05","0.011","90","","90","","90","","12215","9","296","2","293","2","","","","","","","","9","C m c e","-C 2ac 2","64","","","","- C48 H128 Cl2 F42 N24 O16 P7 Pt8 Ru2 -","- C48 H128 Cl2 F42 N24 O16 P7 Pt8 Ru2 -","- C192 H512 Cl8 F168 N96 O64 P28 Pt32 Ru8 -","4","0.25","","Uemura, Kazuhiro; Uesugi, Naoyuki; Matsuyama, Akina; Ebihara, Masahiro; Yoshikawa, Hirofumi; Awaga, Kunio","Integration of Paramagnetic Diruthenium Complexes into an Extended Chain by Heterometallic Metal-Metal Bonds with Diplatinum Complexes.","Inorganic chemistry","2016","55","14","7003","7011","10.1021/acs.inorgchem.6b00741","","","0.7107","MoKα","","0.2253","0.1972","","","0.3459","0.3549","","","","","","1.909","","","","has coordinates","232554","2020-10-21","18:00:00",""
"4347873","11.172","0.006","12.5","0.006","14.088","0.007","75.57","0.03","84.63","0.03","65.083","0.017","1727.8","1.5","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H76 F24 N12 O16 P4 Pt4 Ru2 -","- C28 H76 F24 N12 O16 P4 Pt4 Ru2 -","- C28 H76 F24 N12 O16 P4 Pt4 Ru2 -","1","0.5","","Uemura, Kazuhiro; Uesugi, Naoyuki; Matsuyama, Akina; Ebihara, Masahiro; Yoshikawa, Hirofumi; Awaga, Kunio","Integration of Paramagnetic Diruthenium Complexes into an Extended Chain by Heterometallic Metal-Metal Bonds with Diplatinum Complexes.","Inorganic chemistry","2016","55","14","7003","7011","10.1021/acs.inorgchem.6b00741","","","0.7107","MoKα","","0.1384","0.0809","","","0.146","0.1916","","","","","","1.044","","","","has coordinates","232555","2020-10-21","18:00:00",""
"4347874","12.248","0.0006","13.44","0.0008","17.965","0.0012","88.007","0.003","74.811","0.004","70.468","0.003","2685.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H67 N6 Zn3 -","- C60 H67 N6 Zn3 -","- C120 H134 N12 Zn6 -","2","1","","Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz","Synthesis and Structure of Alkylzinc 3,5-Diphenylpyrazolates: Dramatic Influence of Steric and Solvent Effects.","Inorganic chemistry","2016","55","11","5104","5106","10.1021/acs.inorgchem.6b00745","","","0.71073","MoKα","","0.0483","0.042","","","0.1011","0.1048","","","","","","1.093","","","","has coordinates","232556","2020-10-21","18:00:00",""
"4347875","10.847","0.0003","16.084","0.0004","16.389","0.0005","70.219","0.001","85.27","0.002","75.359","0.002","2603.18","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H54 N8 Zn3 -","- C64 H54 N8 Zn3 -","- C128 H108 N16 Zn6 -","2","1","","Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz","Synthesis and Structure of Alkylzinc 3,5-Diphenylpyrazolates: Dramatic Influence of Steric and Solvent Effects.","Inorganic chemistry","2016","55","11","5104","5106","10.1021/acs.inorgchem.6b00745","","","0.71073","MoKα","","0.1064","0.0746","","","0.1706","0.184","","","","","","1.059","","","","has coordinates","232556","2020-10-21","18:00:00",""
"4347876","17.1278","0.0004","15.5508","0.0004","10.8341","0.0003","90","","90","","90","","2885.67","0.13","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C71 H62 N8 Zn3 -","- C71 H62 N8 Zn3 -","- C142 H124 N16 Zn6 -","2","0.5","","Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz","Synthesis and Structure of Alkylzinc 3,5-Diphenylpyrazolates: Dramatic Influence of Steric and Solvent Effects.","Inorganic chemistry","2016","55","11","5104","5106","10.1021/acs.inorgchem.6b00745","","","0.71073","MoKα","","0.0568","0.0448","","","0.0715","0.0775","","","","","","1.048","","","","has coordinates","232556","2020-10-21","18:00:00",""
"4347877","25.83","0.002","7.942","0.0006","18.0693","0.0017","90","","107.332","0.008","90","","3538.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 N4 O Zn2 -","- C38 H40 N4 O Zn2 -","- C152 H160 N16 O4 Zn8 -","4","0.5","","Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz","Synthesis and Structure of Alkylzinc 3,5-Diphenylpyrazolates: Dramatic Influence of Steric and Solvent Effects.","Inorganic chemistry","2016","55","11","5104","5106","10.1021/acs.inorgchem.6b00745","","","0.71073","MoKα","","0.0478","0.0366","","","0.09","0.0957","","","","","","1.052","","","","has coordinates","232556","2020-10-21","18:00:00",""
"4347878","16.159","0.003","14.035","0.003","15.438","0.003","90","","109.09","0.03","90","","3308.7","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cl2 Cu N8 O11 -","- C24 H26 Cl2 Cu N8 O11 -","- C96 H104 Cl8 Cu4 N32 O44 -","4","0.5","","Li, Zuo-Xi; Zou, Kang-Yu; Zhang, Xue; Han, Tong; Yang, Ying","Hierarchically Flower-like N-Doped Porous Carbon Materials Derived from an Explosive 3-Fold Interpenetrating Diamondoid Copper Metal-Organic Framework for a Supercapacitor.","Inorganic chemistry","2016","55","13","6552","6562","10.1021/acs.inorgchem.6b00746","","","0.71073","MoKα","","0.0815","0.0623","","","0.1471","0.157","","","","","","1.123","","","","has coordinates","232557","2020-10-21","18:00:00",""
"4347879","18.5944","0.0006","18.5944","0.0006","38.012","0.0014","90","","90","","120","","11381.9","0.7","99.98","0.14","99.98","0.14","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C20 H16 Cu2 N2 O10 -","- C20 H12 Cu2 N2 O10 -","- C180 H108 Cu18 N18 O90 -","9","0.25","","Wen, Hui-Min; Wang, Huizhen; Li, Bin; Cui, Yuanjing; Wang, Hailong; Qian, Guodong; Chen, Banglin","A Microporous Metal-Organic Framework with Lewis Basic Nitrogen Sites for High C2H2 Storage and Significantly Enhanced C2H2/CO2 Separation at Ambient Conditions.","Inorganic chemistry","2016","55","15","7214","7218","10.1021/acs.inorgchem.6b00748","","","1.54184","CuKα","","0.0778","0.0661","","","0.2036","0.2126","","","","","","0.927","","","","has coordinates","232558","2020-10-21","18:00:00",""
"4347880","10.5931","0.0013","25.176","0.003","12.9215","0.0015","90","","102.843","0.002","90","","3359.8","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(triphenylphosphine)iminium hydrogentrimetaphosphate","","- C76 H69 N2 O10 P7 -","- C75.988 H68.976 N2 O9.997 P7 -","- C151.976 H137.952 N4 O19.994 P14 -","2","1","","Chakarawet, Khetpakorn; Knopf, Ioana; Nava, Matthew; Jiang, Yanfeng; Stauber, Julia M.; Cummins, Christopher C.","Crystalline Metaphosphate Acid Salts: Synthesis in Organic Media, Structures, Hydrogen-Bonding Capability, and Implication of Superacidity.","Inorganic chemistry","2016","55","12","6178","6185","10.1021/acs.inorgchem.6b00749","","","0.71073","MoKα","","0.0342","0.0326","","","0.0857","0.0868","","","","","","1.059","","","","has coordinates,has disorder","232559","2020-10-21","18:00:00",""
"4347881","31.159","0.003","14.105","0.0012","16.8481","0.0013","90","","90","","90","","7404.7","1.1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(triphenylphosphine)iminium trihydrogenpyrophosphate","","- C36 H33 N O7 P4 -","- C36 H33 N O7 P4 -","- C288 H264 N8 O56 P32 -","8","1","","Chakarawet, Khetpakorn; Knopf, Ioana; Nava, Matthew; Jiang, Yanfeng; Stauber, Julia M.; Cummins, Christopher C.","Crystalline Metaphosphate Acid Salts: Synthesis in Organic Media, Structures, Hydrogen-Bonding Capability, and Implication of Superacidity.","Inorganic chemistry","2016","55","12","6178","6185","10.1021/acs.inorgchem.6b00749","","","0.71073","MoKα","","0.1033","0.0532","","","0.1256","0.1518","","","","","","1.023","","","","has coordinates,has disorder","232560","2020-10-21","18:00:00",""
"4347882","14.7633","0.0009","16.1312","0.001","17.2418","0.0011","97.032","0.0014","107.049","0.0013","109.781","0.0013","3580.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(triphenylphosphine)iminium dihydrogenhexametaphosphate dihydrate","","- C144 H126 N4 O20 P14 -","- C144 H126 N4 O20 P14 -","- C144 H126 N4 O20 P14 -","1","0.5","","Chakarawet, Khetpakorn; Knopf, Ioana; Nava, Matthew; Jiang, Yanfeng; Stauber, Julia M.; Cummins, Christopher C.","Crystalline Metaphosphate Acid Salts: Synthesis in Organic Media, Structures, Hydrogen-Bonding Capability, and Implication of Superacidity.","Inorganic chemistry","2016","55","12","6178","6185","10.1021/acs.inorgchem.6b00749","","","0.71073","MoKα","","0.0648","0.0441","","","0.1067","0.1166","","","","","","1.037","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347883","17.841","0.003","17.919","0.003","26.667","0.004","82.161","0.003","72.116","0.003","63.235","0.002","7244","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(triphenylphosphine)iminium octahydrogentris(tetrametaphosphate)","","- C148 H138 N4 O38 P20 -","- C148 H138 N4 O38 P20 -","- C296 H276 N8 O76 P40 -","2","1","","Chakarawet, Khetpakorn; Knopf, Ioana; Nava, Matthew; Jiang, Yanfeng; Stauber, Julia M.; Cummins, Christopher C.","Crystalline Metaphosphate Acid Salts: Synthesis in Organic Media, Structures, Hydrogen-Bonding Capability, and Implication of Superacidity.","Inorganic chemistry","2016","55","12","6178","6185","10.1021/acs.inorgchem.6b00749","","","0.71073","MoKα","","0.1095","0.0544","","","0.127","0.1554","","","","","","1.023","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347884","8.8016","0.0004","30.5879","0.0012","13.6623","0.0006","90","","105.51","0.001","90","","3544.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(triphenylphosphine)iminium bis(hydronium)dihydrogenhexametaphosphate","","- C72 H68 N2 O20 P10 -","- C72 H68 N2 O20 P10 -","- C144 H136 N4 O40 P20 -","2","0.5","","Chakarawet, Khetpakorn; Knopf, Ioana; Nava, Matthew; Jiang, Yanfeng; Stauber, Julia M.; Cummins, Christopher C.","Crystalline Metaphosphate Acid Salts: Synthesis in Organic Media, Structures, Hydrogen-Bonding Capability, and Implication of Superacidity.","Inorganic chemistry","2016","55","12","6178","6185","10.1021/acs.inorgchem.6b00749","","","0.71073","MoKα","","0.0391","0.0345","","","0.094","0.0972","","","","","","1.064","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347885","13.1896","0.0014","17.231","0.0017","24.24","0.003","87.387","0.003","75.19","0.003","72.054","0.003","5063.6","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(triphenylphosphine)iminium trihydrogenhexametaphosphate","","- C108 H93 N3 O18 P12 -","- C108 H93 N3 O18 P12 -","- C216 H186 N6 O36 P24 -","2","1","","Chakarawet, Khetpakorn; Knopf, Ioana; Nava, Matthew; Jiang, Yanfeng; Stauber, Julia M.; Cummins, Christopher C.","Crystalline Metaphosphate Acid Salts: Synthesis in Organic Media, Structures, Hydrogen-Bonding Capability, and Implication of Superacidity.","Inorganic chemistry","2016","55","12","6178","6185","10.1021/acs.inorgchem.6b00749","","","0.71073","MoKα","","0.0462","0.0385","","","0.1001","0.1058","","","","","","1.029","","","","has coordinates,has disorder","232564","2020-10-21","18:00:00",""
"4347886","13.4063","0.0004","23.717","0.0007","16.0178","0.0006","90","","100.79","0.001","90","","5002.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H108 Ge12 Nd8 O78 -","- C36 H28 Ge12 Nd8 O78 -","- C72 H56 Ge24 Nd16 O156 -","2","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.1078","0.0631","","","0.135","0.1608","","","","","","1.019","","","","has coordinates,has disorder","232565","2020-10-21","18:00:00",""
"4347887","15.9088","0.0019","16.755","0.002","22.433","0.003","87.05","0.004","84.278","0.003","83.494","0.002","5906.6","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H212 Ge24 N20 Nd20 O160 -","- C122 H180 Ge24 N20 Nd20 O160 -","- C122 H180 Ge24 N20 Nd20 O160 -","1","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0449","0.0351","","","0.0985","0.1152","","","","","","1.081","","","","has coordinates,has disorder","232566","2020-10-21","18:00:00",""
"4347888","16.425","0.006","18.842","0.006","19.184","0.007","90","","106.542","0.005","90","","5691","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H108 Ge12 N6 Nd10 O84 -","- C60 H84 Ge12 N6 Nd10 O84 -","- C120 H168 Ge24 N12 Nd20 O168 -","2","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0494","0.0373","","","0.0879","0.0979","","","","","","1.078","","","","has coordinates","232567","2020-10-21","18:00:00",""
"4347889","13.3203","0.0004","23.4821","0.0007","15.9302","0.0005","90","","100.916","0.003","90","","4892.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H108 Ge12 O78 Sm8 -","- C36 H28 Ge12 O78 Sm8 -","- C72 H56 Ge24 O156 Sm16 -","2","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0785","0.0708","","","0.1858","0.1945","","","","","","1.012","","","","has coordinates,has disorder","232568","2020-10-21","18:00:00",""
"4347890","17.66","0.005","20.309","0.005","17.565","0.005","90","","115.926","0.004","90","","5666","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H108 Ge14 N2 O82 Tb10 -","- C54 H84 Ge14 N2 O82 Tb10 -","- C108 H168 Ge28 N4 O164 Tb20 -","2","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0728","0.0547","","","0.1355","0.1504","","","","","","1.078","","","","has coordinates","232569","2020-10-21","18:00:00",""
"4347891","13.2654","0.0002","23.3935","0.0004","15.973","0.0003","90","","100.845","0.002","90","","4868.28","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H108 Gd8 Ge12 O78 -","- C36 H28 Gd8 Ge12 O78 -","- C72 H56 Gd16 Ge24 O156 -","2","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0532","0.0451","","","0.1152","0.1241","","","","","","1.053","","","","has coordinates,has disorder","232570","2020-10-21","18:00:00",""
"4347892","13.2863","0.0002","23.4503","0.0004","15.9547","0.0003","90","","100.913","0.002","90","","4881.07","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H108 Eu8 Ge12 O78 -","- C36 H28 Eu8 Ge12 O78 -","- C72 H56 Eu16 Ge24 O156 -","2","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0563","0.0397","","","0.0897","0.0977","","","","","","1.034","","","","has coordinates,has disorder","232571","2020-10-21","18:00:00",""
"4347893","15.1938","0.0014","16.548","0.002","19.731","0.002","107.175","0.005","91.052","0.003","97.001","0.006","4696.6","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H188 Ge24 Nd16 O142 -","- C72 H148 Ge24 Nd16 O142 -","- C72 H148 Ge24 Nd16 O142 -","1","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.1858","0.1167","","","0.2623","0.3361","","","","","","1.062","","","","has coordinates,has disorder","232572","2020-10-21","18:00:00",""
"4347894","17.7742","0.0003","25.4947","0.0004","27.3526","0.0006","90","","90","","90","","12394.8","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H108 Ge14 O90 Pr12 -","- C51.74 H100 Ge14 O90 Pr12 -","- C206.96 H400 Ge56 O360 Pr48 -","4","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0404","0.0316","","","0.0782","0.083","","","","","","1.046","","","","has coordinates","232573","2020-10-21","18:00:00",""
"4347895","16.425","0.006","18.842","0.006","19.184","0.007","90","","106.542","0.005","90","","5691","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H110 Ge12 N4 Nd10 O84 -","- C62 H84 Ge12 N4 Nd10 O84 -","- C124 H168 Ge24 N8 Nd20 O168 -","2","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0492","0.0371","","","0.0874","0.0973","","","","","","1.082","","","","has coordinates","232574","2020-10-21","18:00:00",""
"4347896","13.4082","0.0003","23.7792","0.0006","16.0076","0.0004","90","","100.704","0.003","90","","5015","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H108 Ge12 O78 Pr8 -","- C36 H28 Ge12 O78 Pr8 -","- C72 H56 Ge24 O156 Pr16 -","2","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0517","0.0413","","","0.0983","0.1061","","","","","","1.047","","","","has coordinates,has disorder","232575","2020-10-21","18:00:00",""
"4347897","17.7374","0.0003","25.2703","0.0004","27.2582","0.0004","90","","90","","90","","12217.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H108 Ge14 Nd12 O90 -","- C52 H96 Ge14 Nd12 O86 -","- C208 H384 Ge56 Nd48 O344 -","4","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0812","0.0717","","","0.1811","0.1875","","","","","","1.061","","","","has coordinates","232576","2020-10-21","18:00:00",""
"4347898","4.4426","0.0006","4.4426","0.0006","24.956","0.005","90","","90","","120","","426.56","0.12","153.15","","153.15","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- B3 Be6 F3 O9 -","- B3 Be6 F3 O9 -","- B6 Be12 F6 O18 -","2","0.0555556","","Guo, Shu; Liu, Lijuan; Xia, Mingjun; Kang, Lei; Huang, Qian; Li, Chao; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian","Be2BO3F: A Phase of Beryllium Fluoride Borate Derived from KBe2BO3F2 with Short UV Absorption Edge.","Inorganic chemistry","2016","55","13","6586","6591","10.1021/acs.inorgchem.6b00755","","","0.71073","MoKα","","0.0223","0.0217","","","0.0585","0.0589","","","","","","1.176","","","","has coordinates","232577","2020-10-21","18:00:00",""
"4347899","9.9545","0.0003","13.1364","0.0004","11.0094","0.0003","90","","101.703","0.003","90","","1409.73","0.07","293","","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Mn-INA-1","","","- C54 H32 Mn4 N10 O17 -","- C54 H32 Mn4 N10 O17 -","- C54 H32 Mn4 N10 O17 -","1","0.5","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.71073","MoKα","","0.0464","0.0336","","","0.109","0.1138","","","","","","1.064","","","","has coordinates","232579","2020-10-21","18:00:00",""
"4347900","10.069","0.003","12.946","0.003","11.319","0.003","90","","101.318","0.004","90","","1446.8","0.7","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H10 F4 Mn2 N5 O9 -","- C27 H10 F4 Mn2 N5 O9 -","- C54 H20 F8 Mn4 N10 O18 -","2","1","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.71073","MoKα","","0.103","0.0754","","","0.2107","0.2294","","","","","","1.045","","","","has coordinates","232579","2020-10-21","18:00:00",""
"4347901","10.0269","0.0002","16.4397","0.0003","12.7548","0.0002","90","","90.645","0.002","90","","2102.36","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Mn N3 O5 -","- C19 H19 Mn N3 O5 -","- C76 H76 Mn4 N12 O20 -","4","1","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.71073","MoKα","","0.076","0.0639","","","0.2302","0.2443","","","","","","1.048","","","","has coordinates","232579","2020-10-21","18:00:00",""
"4347902","10.8336","0.0006","18.2867","0.0005","15.1258","0.0016","90","","111.208","0.007","90","","2793.6","0.4","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Mn-FPAA-1","Mn-FPAA-1","","- C55 H42 F6 Mn3 N8 O15 -","- C55 H42 F6 Mn3 N8 O15 -","- C110 H84 F12 Mn6 N16 O30 -","2","0.5","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.71073","MoKα","","0.0584","0.0449","","","0.1156","0.1268","","","","","","1.079","","","","has coordinates","232579","2020-10-21","18:00:00",""
"4347903","9.7353","0.0005","17.7435","0.0007","11.7645","0.0006","90","","104.07","0.005","90","","1971.21","0.17","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Co F2 N3 O5 -","- C19 H15 Co F2 N3 O5 -","- C76 H60 Co4 F8 N12 O20 -","4","1","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.7107","MoKα","","0.05","0.0397","","","0.1103","0.1189","","","","","","1.048","","","","has coordinates","232579","2020-10-21","18:00:00",""
"4347904","12.3156","0.0006","15.5113","0.001","18.9521","0.0012","90","","90","","90","","3620.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 Cd N3 O6 -","- C15 H17 Cd N3 O6 -","- C120 H136 Cd8 N24 O48 -","8","1","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.71073","MoKα","","0.0398","0.0233","","","0.051","0.0534","","","","","","0.97","","","","has coordinates","232579","2020-10-21","18:00:00",""
"4347905","4.7709","0.0003","13.2043","0.0009","10.6697","0.0007","90","","94.244","0.007","90","","670.31","0.08","293","0.1","293","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cd-FINA","Cd-FINA","","- C12 H4 Cd F2 N2 O4 -","- C12 H4 Cd F2 N2 O4 -","- C24 H8 Cd2 F4 N4 O8 -","2","0.5","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.7107","MoKα","","0.0324","0.028","","","0.0731","0.0755","","","","","","1.212","","","","has coordinates","232579","2020-10-21","18:00:00",""
"4347906","13.209","0.003","13.926","0.003","12.243","0.003","90","","90","","90","","2252.1","0.9","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C21 H12 Cd N4 O6 -","- C21 H12 Cd N4 O6 -","- C84 H48 Cd4 N16 O24 -","4","0.5","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.71073","MoKα","","0.0502","0.04","","","0.1067","0.1174","","","","","","1.11","","","","has coordinates","232579","2020-10-21","18:00:00",""
"4347907","10.6945","0.0012","18.576","0.002","14.9208","0.0017","90","","107.758","0.002","90","","2822.9","0.5","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cd-FPAA-1","Cd-FPAA-1","","- C54 H42 Cd3 F6 N8 O14 -","- C54 H42 Cd3 F6 N8 O14 -","- C108 H84 Cd6 F12 N16 O28 -","2","0.5","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.71073","MoKα","","0.0701","0.0572","","","0.1359","0.1471","","","","","","0.905","","","","has coordinates","232579","2020-10-21","18:00:00",""
"4347908","26.9719","0.0001","26.9719","0.0001","26.9719","0.0001","90","","90","","90","","19621.6","0.13","294","2","294","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- C73 H41 Dy2 O18 -","- C73 H41 Dy2 O18 -","- C438 H246 Dy12 O108 -","6","0.125","","Wang, Xi; Chen, Min; Du, Miao","A Clear Insight into the Distinguishing CO2 Capture by Two Isostructural Dy(III)-Carboxylate Coordination Frameworks.","Inorganic chemistry","2016","55","13","6352","6354","10.1021/acs.inorgchem.6b00760","","","1.54178","CuKα","","0.0702","0.0605","","","0.1954","0.205","","","","","","1.049","","","","has coordinates","232580","2020-10-21","18:00:00",""
"4347909","26.6258","0.0002","26.6258","0.0002","26.6258","0.0002","90","","90","","90","","18875.9","0.2","294","2","294","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C65 H33 Dy2 N8 O18 -","- C65 H33 Dy2 N8 O18 -","- C390 H198 Dy12 N48 O108 -","6","0.125","","Wang, Xi; Chen, Min; Du, Miao","A Clear Insight into the Distinguishing CO2 Capture by Two Isostructural Dy(III)-Carboxylate Coordination Frameworks.","Inorganic chemistry","2016","55","13","6352","6354","10.1021/acs.inorgchem.6b00760","","","0.71073","MoKα","","0.0394","0.0304","","","0.1088","0.113","","","","","","1.034","","","","has coordinates","232580","2020-10-21","18:00:00",""
"4347910","13.2087","0.0003","20.7679","0.0006","20.2938","0.0005","90","","94.776","0.002","90","","5547.6","0.2","173","2","173","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C65.5 H54 B Cl Cu F4 N4 O1.5 P2 -","- C65.5 H54 B Cl Cu F4 N4 O1.5 P2 -","- C262 H216 B4 Cl4 Cu4 F16 N16 O6 P8 -","4","2","","Liang, Dong; Chen, Xu-Lin; Liao, Jian-Zhen; Hu, Jin-Yu; Jia, Ji-Hui; Lu, Can-Zhong","Highly Efficient Cuprous Complexes with Thermally Activated Delayed Fluorescence for Solution-Processed Organic Light-Emitting Devices.","Inorganic chemistry","2016","55","15","7467","7475","10.1021/acs.inorgchem.6b00763","","","1.54184","CuKα","","0.0422","0.0377","","","0.0965","0.1012","","","","","","1.037","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347911","10.6932","0.0002","17.2639","0.0003","30.7265","0.0005","90","","96.846","0.001","90","","5631.86","0.17","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H56 B Cu F4 N4 O P2 -","- C68 H56 B Cu F4 N4 O P2 -","- C272 H224 B4 Cu4 F16 N16 O4 P8 -","4","1","","Liang, Dong; Chen, Xu-Lin; Liao, Jian-Zhen; Hu, Jin-Yu; Jia, Ji-Hui; Lu, Can-Zhong","Highly Efficient Cuprous Complexes with Thermally Activated Delayed Fluorescence for Solution-Processed Organic Light-Emitting Devices.","Inorganic chemistry","2016","55","15","7467","7475","10.1021/acs.inorgchem.6b00763","","","1.54184","CuKα","","0.0494","0.0459","","","0.1246","0.1277","","","","","","1.016","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347912","18.2729","0.0011","16.5506","0.001","19.4689","0.0012","90","","110.037","0.001","90","","5531.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C112 H88 Cl8 Fe8 N4 O30 -","- C112 H88 Cl8 Fe8 N4 O30 -","- C224 H176 Cl16 Fe16 N8 O60 -","2","0.5","","Mitchell, Kylie J.; Abboud, Khalil A.; Christou, George","Magnetostructural Correlation for High-Nuclearity Iron(III)/Oxo Complexes and Application to Fe5, Fe6, and Fe8 Clusters.","Inorganic chemistry","2016","55","13","6597","6608","10.1021/acs.inorgchem.6b00769","","","0.71073","MoKα","","0.0779","0.0441","","","0.112","0.124","","","","","","1.022","","","","has coordinates,has disorder","232583","2020-10-21","18:00:00",""
"4347913","21.6936","0.0013","17.4045","0.001","23.677","0.0014","90","","90","","90","","8939.6","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H68 Cl4 Fe6 N2 O26 -","- C90 H68 Cl4 Fe6 N2 O26 -","- C360 H272 Cl16 Fe24 N8 O104 -","4","0.5","","Mitchell, Kylie J.; Abboud, Khalil A.; Christou, George","Magnetostructural Correlation for High-Nuclearity Iron(III)/Oxo Complexes and Application to Fe5, Fe6, and Fe8 Clusters.","Inorganic chemistry","2016","55","13","6597","6608","10.1021/acs.inorgchem.6b00769","","","0.71073","MoKα","","0.07","0.0331","","","0.0668","0.0741","","","","","","0.882","","","","has coordinates,has disorder","232583","2020-10-21","18:00:00",""
"4347914","15.2569","0.0019","18.666","0.003","18.731","0.002","90","","90","","90","","5334.3","1.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H64 Cl6 N6 Ru -","- C46 H64 Cl6 N6 Ru -","- C184 H256 Cl24 N24 Ru4 -","4","1","","Aihara, Yusuke; Sato, Kyohei; Shinozaki, Kazuteru","Optical Resolution, Determination of Absolute Configuration, and Photoracemization of cis-RuL2(CN)2 (L = 2,2'-Bipyridine and Its Analogues).","Inorganic chemistry","2016","55","17","8387","8395","10.1021/acs.inorgchem.6b00772","","","0.71075","MoKα","","0.0927","0.085","","","0.1942","0.1998","","","","","","1.157","","","","has coordinates","232584","2020-10-21","18:00:00",""
"4347915","10.4741","0.0006","11.0072","0.0006","13.5855","0.0008","113.058","0.0013","96.0134","0.0017","100.704","0.0015","1388.51","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H29 Cl F6 N5 P Ru -","- C26 H29 Cl F6 N5 P Ru -","- C52 H58 Cl2 F12 N10 P2 Ru2 -","2","1","","Scattergood, Paul A.; Khushnood, Usman; Tariq, Amina; Cooke, David J.; Rice, Craig R.; Elliott, Paul I. P.","Photochemistry of [Ru(pytz)(btz)2](2+) and Characterization of a κ(1)-btz Ligand-Loss Intermediate.","Inorganic chemistry","2016","55","15","7787","7796","10.1021/acs.inorgchem.6b00782","","","0.71073","MoKα","","0.085","0.0481","","","0.0826","0.0931","","","","","","1.005","","","","has coordinates,has disorder","232585","2020-10-21","18:00:00",""
"4347916","12.3371","0.0005","21.0567","0.0008","21.0921","0.0008","94.42","0.002","90.87","0.002","100.753","0.002","5364.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H88 F24 N32 P4 Ru2 -","- C100 H88 F24 N32 P4 Ru2 -","- C200 H176 F48 N64 P8 Ru4 -","2","1","","Scattergood, Paul A.; Khushnood, Usman; Tariq, Amina; Cooke, David J.; Rice, Craig R.; Elliott, Paul I. P.","Photochemistry of [Ru(pytz)(btz)2](2+) and Characterization of a κ(1)-btz Ligand-Loss Intermediate.","Inorganic chemistry","2016","55","15","7787","7796","10.1021/acs.inorgchem.6b00782","","","1.54178","CuKα","","0.1096","0.0834","","","0.2073","0.2311","","","","","","1.034","","","","has coordinates,has disorder","232586","2020-10-21","18:00:00",""
"4347917","10.4413","0.0004","11.5353","0.0005","26.7685","0.0012","90","","90.139","0.002","90","","3224.1","0.2","100","","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 Ce F3 N3 Si3 -","- C27 H39 Ce F3 N3 Si3 -","- C108 H156 Ce4 F12 N12 Si12 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Cerium(III) and Uranium(IV) Complexes of the 2-Fluorophenyl Trimethylsilyl Amide Ligand: C-F → Ln/An Interactions that Modulate the Coordination Spheres of f-Block Elements.","Inorganic chemistry","2016","55","11","5684","5692","10.1021/acs.inorgchem.6b00785","","","0.71073","MoKα","","0.0243","0.0205","","","0.0623","0.0775","","","","","","1.337","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347918","12.0396","0.001","13.706","0.0013","19.9135","0.0019","90","","91.341","0.004","90","","3285.1","0.5","100","","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 Cl F3 N3 Si3 U -","- C27 H39 Cl F3 N3 Si3 U -","- C108 H156 Cl4 F12 N12 Si12 U4 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Cerium(III) and Uranium(IV) Complexes of the 2-Fluorophenyl Trimethylsilyl Amide Ligand: C-F →Ln/An Interactions that Modulate the Coordination Spheres of f-Block Elements.","Inorganic chemistry","2016","55","11","5684","5692","10.1021/acs.inorgchem.6b00785","","","0.71073","MoKα","","0.0211","0.0174","","","0.0371","0.0398","","","","","","1.232","","","","has coordinates","232587","2020-10-21","18:00:00",""
"4347919","12.1184","0.0004","12.703","0.0004","14.1095","0.0005","64.841","0.002","70.349","0.002","77.979","0.002","1846.02","0.11","100","","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C35 H44 F3 N3 Si3 U -","- C35 H44 F3 N3 Si3 U -","- C70 H88 F6 N6 Si6 U2 -","2","1","","Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Cerium(III) and Uranium(IV) Complexes of the 2-Fluorophenyl Trimethylsilyl Amide Ligand: C-F →Ln/An Interactions that Modulate the Coordination Spheres of f-Block Elements.","Inorganic chemistry","2016","55","11","5684","5692","10.1021/acs.inorgchem.6b00785","","","0.71073","MoKα","","0.0248","0.0203","","","0.0468","0.0526","","","","","","1.099","","","","has coordinates","232587","2020-10-21","18:00:00",""
"4347920","11.9455","0.0005","12.1048","0.0005","15.7546","0.0007","88.896","0.002","68.341","0.002","62.841","0.002","1852.88","0.15","100","","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H42 F3 N3 O Si3 U -","- C28 H42 F3 N3 O Si3 U -","- C56 H84 F6 N6 O2 Si6 U2 -","2","1","","Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Cerium(III) and Uranium(IV) Complexes of the 2-Fluorophenyl Trimethylsilyl Amide Ligand: C-F → Ln/An Interactions that Modulate the Coordination Spheres of f-Block Elements.","Inorganic chemistry","2016","55","11","5684","5692","10.1021/acs.inorgchem.6b00785","","","0.71073","MoKα","","0.0333","0.0322","","","0.0841","0.0844","","","","","","1.232","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347921","10.4057","0.0009","11.0327","0.0008","16.1084","0.0013","85.395","0.003","79.603","0.003","68.152","0.002","1688.1","0.2","100","","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C27 H39 F3 I N3 Si3 U -","- C27 H39 F3 I N3 Si3 U -","- C54 H78 F6 I2 N6 Si6 U2 -","2","1","","Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Cerium(III) and Uranium(IV) Complexes of the 2-Fluorophenyl Trimethylsilyl Amide Ligand: C-F →Ln/An Interactions that Modulate the Coordination Spheres of f-Block Elements.","Inorganic chemistry","2016","55","11","5684","5692","10.1021/acs.inorgchem.6b00785","","","0.71073","MoKα","","0.0157","0.0146","","","0.0354","0.0364","","","","","","1.067","","","","has coordinates","232587","2020-10-21","18:00:00",""
"4347922","11.1338","0.0004","20.1704","0.0006","18.7326","0.0006","90","","103.791","0.001","90","","4085.6","0.2","100","","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 F4 N4 Si4 U -","- C36 H52 F4 N4 Si4 U -","- C144 H208 F16 N16 Si16 U4 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Cerium(III) and Uranium(IV) Complexes of the 2-Fluorophenyl Trimethylsilyl Amide Ligand: C-F → Ln/An Interactions that Modulate the Coordination Spheres of f-Block Elements.","Inorganic chemistry","2016","55","11","5684","5692","10.1021/acs.inorgchem.6b00785","","","0.71073","MoKα","","0.0168","0.0152","","","0.0437","0.0508","","","","","","1.312","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347923","17.4935","0.0009","26.0116","0.0008","15.8081","0.0008","90","","114.995","0.006","90","","6519.5","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 Cu N4 O10 U -","- C24 H12 Cu N4 O10 U -","- C192 H96 Cu8 N32 O80 U8 -","8","1","","Zhao, Ran; Mei, Lei; Wang, Lin; Chai, Zhi-Fang; Shi, Wei-Qun","Copper/Zinc-Directed Heterometallic Uranyl-Organic Polycatenating Frameworks: Synthesis, Characterization, and Anion-Dependent Structural Regulation.","Inorganic chemistry","2016","55","20","10125","10134","10.1021/acs.inorgchem.6b00786","","","0.71073","MoKα","","0.0639","0.0513","","","0.1708","0.1861","","","","","","1.095","","","","has coordinates","232588","2020-10-21","18:00:00",""
"4347924","17.4301","0.0003","26.27","0.0003","15.4596","0.0003","90","","113.498","0.003","90","","6491.8","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 N4 O10 U Zn -","- C24 H12 N4 O10 U Zn -","- C192 H96 N32 O80 U8 Zn8 -","8","1","","Zhao, Ran; Mei, Lei; Wang, Lin; Chai, Zhi-Fang; Shi, Wei-Qun","Copper/Zinc-Directed Heterometallic Uranyl-Organic Polycatenating Frameworks: Synthesis, Characterization, and Anion-Dependent Structural Regulation.","Inorganic chemistry","2016","55","20","10125","10134","10.1021/acs.inorgchem.6b00786","","","0.71073","MoKα","","0.0353","0.0291","","","0.0761","0.0789","","","","","","1.059","","","","has coordinates","232588","2020-10-21","18:00:00",""
"4347925","10.701","0.005","7.686","0.003","30.469","0.013","90","","91.121","0.017","90","","2505.5","1.9","273","","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Cl Cu N4 O11 U -","- C24 H15 Cl Cu N4 O11 U -","- C96 H60 Cl4 Cu4 N16 O44 U4 -","4","1","","Zhao, Ran; Mei, Lei; Wang, Lin; Chai, Zhi-Fang; Shi, Wei-Qun","Copper/Zinc-Directed Heterometallic Uranyl-Organic Polycatenating Frameworks: Synthesis, Characterization, and Anion-Dependent Structural Regulation.","Inorganic chemistry","2016","55","20","10125","10134","10.1021/acs.inorgchem.6b00786","","","0.71073","MoKα","","0.043","0.0312","","","0.065","0.0687","","","","","","1.053","","","","has coordinates","232588","2020-10-21","18:00:00",""
"4347926","13.859","0.003","14.216","0.003","15.202","0.003","87.58","0.03","72.22","0.03","67.95","0.03","2634.5","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H34 Cl2 Cu2 N8 O25 U2 -","- C48 H34 Cl2 Cu2 N8 O25 U2 -","- C96 H68 Cl4 Cu4 N16 O50 U4 -","2","1","","Zhao, Ran; Mei, Lei; Wang, Lin; Chai, Zhi-Fang; Shi, Wei-Qun","Copper/Zinc-Directed Heterometallic Uranyl-Organic Polycatenating Frameworks: Synthesis, Characterization, and Anion-Dependent Structural Regulation.","Inorganic chemistry","2016","55","20","10125","10134","10.1021/acs.inorgchem.6b00786","","","0.71073","MoKα","","0.0568","0.0502","","","0.1359","0.1388","","","","","","1.062","","","","has coordinates","232588","2020-10-21","18:00:00",""
"4347927","9.4771","0.0003","11.4559","0.0004","15.8438","0.0005","72.66","0.001","83.447","0.001","71.302","0.001","1554.98","0.09","150","2","150.01","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 N4 O19 S U2 Zn -","- C24 H18 N4 O19 S U2 Zn -","- C48 H36 N8 O38 S2 U4 Zn2 -","2","1","","Zhao, Ran; Mei, Lei; Wang, Lin; Chai, Zhi-Fang; Shi, Wei-Qun","Copper/Zinc-Directed Heterometallic Uranyl-Organic Polycatenating Frameworks: Synthesis, Characterization, and Anion-Dependent Structural Regulation.","Inorganic chemistry","2016","55","20","10125","10134","10.1021/acs.inorgchem.6b00786","","","0.71073","MoKα","","0.0231","0.02","","","0.0435","0.0446","","","","","","1.058","","","","has coordinates","232588","2020-10-21","18:00:00",""
"4347928","13.788","0.003","20.988","0.005","13.611","0.003","90","","90","","90","","3938.8","1.5","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","MnN5C10-Mo(CN)7","","","- C27 H58 Mn2 Mo N17 O4 -","- C27 H58 Mn2 Mo N17 O4 -","- C108 H232 Mn8 Mo4 N68 O16 -","4","0.5","","Wei, Xiao-Qin; Qian, Kun; Wei, Hai-Yan; Wang, Xin-Yi","A One-Dimensional Magnet Based on [Mo(III)(CN)7](4.).","Inorganic chemistry","2016","55","11","5107","5109","10.1021/acs.inorgchem.6b00787","","","0.71073","MoKα","","0.0664","0.0562","","","0.164","0.1753","","","","","","1.066","","","","has coordinates","232589","2020-10-21","18:00:00",""
"4347929","26.329","0.002","28.882","0.003","19.942","0.002","90","","91.807","0.009","90","","15157","2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C153 H60.5 B3 F60 Fe5 N24.5 O1.5 -","- C153 H60.5 B3 F60 Fe5 N24.5 O1.5 -","- C612 H242 B12 F240 Fe20 N98 O6 -","4","0.5","","Gouré, Eric; Gerey, Bertrand; Clémancey, Martin; Pécaut, Jacques; Molton, Florian; Latour, Jean-Marc; Blondin, Geneviève; Collomb, Marie-Noëlle","Intramolecular Electron Transfers Thwart Bistability in a Pentanuclear Iron Complex.","Inorganic chemistry","2016","55","18","9178","9186","10.1021/acs.inorgchem.6b00791","","","0.71073","MoKα","","0.2107","0.1115","","","0.2527","0.3092","","","","","","1.075","","","","has coordinates,has disorder","232590","2020-10-21","18:00:00",""
"4347930","4.42006","0.00015","9.9972","0.0003","11.37","0.0004","87.979","0.003","81.364","0.003","80.105","0.003","489.31","0.03","298","1","298","1","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0311","0.0285","","","0.0624","0.0636","","","","","","1.07","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347931","4.4163","0.0008","9.983","0.004","11.376","0.003","87.95","0.03","81.4","0.02","80.17","0.03","488.6","0.3","298","1","298","1","","","100","1","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0584","0.0443","","","0.1007","0.1085","","","","","","1.08","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347932","4.4014","0.0007","9.918","0.003","11.177","0.003","88.16","0.02","82.21","0.02","80.18","0.02","476.3","0.2","298","1","298","1","","","280000","40000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0894","0.0657","","","0.1478","0.1726","","","","","","1.1","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347933","4.3745","0.0007","9.863","0.002","10.963","0.002","88.206","0.017","83.14","0.02","80.11","0.02","462.61","0.15","298","1","298","1","","","710000","40000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0427","0.0325","","","0.0729","0.0776","","","","","","1.059","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347934","4.3661","0.0006","9.84","0.002","10.923","0.002","88.206","0.017","83.346","0.017","80.104","0.017","459.15","0.14","298","1","298","1","","","840000","40000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0693","0.0593","","","0.1484","0.1639","","","","","","1.095","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347935","4.3399","0.0005","9.782","0.002","10.7842","0.0019","88.265","0.016","84.017","0.014","80.082","0.016","448.49","0.13","298","1","298","1","","","1250000","40000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0369","0.0311","","","0.0688","0.0713","","","","","","1.06","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347936","4.3221","0.0005","9.7472","0.0019","10.683","0.002","88.353","0.016","84.421","0.016","80.102","0.016","441.23","0.13","298","1","298","1","","","1580000","40000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0603","0.051","","","0.1248","0.1294","","","","","","1.079","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347937","4.3086","0.0004","9.7205","0.0015","10.6226","0.0018","88.411","0.013","84.745","0.013","80.039","0.013","436.31","0.11","298","1","298","1","","","1780000","40000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0419","0.038","","","0.0874","0.0901","","","","","","1.131","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347938","4.3025","0.0005","9.705","0.002","10.594","0.002","88.464","0.018","84.857","0.017","80.103","0.018","433.99","0.13","298","1","298","1","","","1920000","40000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0586","0.0529","","","0.1293","0.135","","","","","","1.105","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347939","4.2816","0.0005","9.6687","0.0016","10.5131","0.0018","88.493","0.014","85.206","0.014","80.047","0.014","427.14","0.12","298","1","298","1","","","2320000","40000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0348","0.0285","","","0.0656","0.0684","","","","","","1.07","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347940","4.2509","0.0005","9.6194","0.0016","10.3932","0.0018","88.661","0.014","85.739","0.014","80.044","0.014","417.41","0.11","298","1","298","1","","","2920000","40000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0404","0.0353","","","0.0834","0.086","","","","","","1.087","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347941","4.237","0.0006","9.592","0.002","10.329","0.002","88.78","0.017","86.13","0.019","80.001","0.019","412.45","0.13","298","1","298","1","","","3330000","40000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0595","0.0483","","","0.1238","0.1741","","","","","","1.227","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347942","4.2218","0.0005","9.5636","0.0018","10.291","0.002","88.815","0.015","86.218","0.015","80.014","0.015","408.3","0.12","298","1","298","1","","","3660000","50000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0486","0.0397","","","0.0978","0.1253","","","","","","1.155","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347943","4.2128","0.0005","9.5476","0.0018","10.2634","0.0019","88.839","0.015","86.36","0.015","80.045","0.015","405.76","0.12","298","1","298","1","","","3880000","50000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0538","0.0453","","","0.1069","0.1288","","","","","","1.159","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347944","4.2027","0.0005","9.5344","0.0017","10.2292","0.0019","88.945","0.015","86.478","0.014","80.055","0.014","402.95","0.12","298","1","298","1","","","4110000","50000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0536","0.0452","","","0.1178","0.1537","","","","","","1.174","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347945","4.1925","0.0005","9.515","0.002","10.199","0.002","89.023","0.018","86.675","0.016","80.109","0.018","400.12","0.13","298","1","298","1","","","4380000","50000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0571","0.0502","","","0.1228","0.1301","","","","","","1.061","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347946","4.1769","0.0004","9.4845","0.0015","10.1521","0.0017","89.116","0.013","86.774","0.013","80.153","0.013","395.62","0.1","298","1","298","1","","","4780000","50000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0478","0.0406","","","0.1042","0.11","","","","","","1.038","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347947","4.1662","0.0004","9.4691","0.0015","10.1154","0.0017","89.167","0.013","87.104","0.013","79.977","0.013","392.46","0.1","298","1","298","1","","","5150000","60000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0524","0.0435","","","0.1133","0.1504","","","","","","1.214","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347948","4.1523","0.0004","9.453","0.002","10.086","0.002","89.285","0.017","87.14","0.014","80.077","0.016","389.48","0.12","298","1","298","1","","","5460000","60000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0469","0.0405","","","0.0979","0.1014","","","","","","1.088","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347949","4.1436","0.0004","9.432","0.002","10.0405","0.0019","89.342","0.017","87.41","0.014","80.047","0.016","386.1","0.12","298","1","298","1","","","5910000","60000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0493","0.043","","","0.1091","0.1139","","","","","","1.068","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347950","4.1322","0.0004","9.4165","0.0016","10.0257","0.0018","89.417","0.014","87.462","0.013","80.013","0.013","383.82","0.1","298","1","298","1","","","6150000","60000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0437","0.0361","","","0.0898","0.0932","","","","","","1.056","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347951","4.1218","0.0004","9.405","0.002","10.003","0.002","89.531","0.018","87.567","0.013","80.085","0.015","381.64","0.12","298","1","298","1","","","6450000","60000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0623","0.0536","","","0.1343","0.1417","","","","","","1.076","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347952","8.3513","0.0005","15.0623","0.0009","9.9039","0.0006","90","","112.981","0.003","90","","1146.94","0.12","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H19 Cl2 N6 O2 U -","- C18 H16 Cl2 N6 O2 U -","- C36 H32 Cl4 N12 O4 U2 -","2","0.5","","Pedrick, Elizabeth A.; Schultz, Jason W.; Wu, Guang; Mirica, Liviu M.; Hayton, Trevor W.","Perturbation of the O-U-O Angle in Uranyl by Coordination to a 12-Membered Macrocycle.","Inorganic chemistry","2016","55","11","5693","5701","10.1021/acs.inorgchem.6b00799","","","0.71073","MoKα","","0.0314","0.0286","","","0.0764","0.0774","","","","","","1.107","","","","has coordinates","232592","2020-10-21","18:00:00",""
"4347953","16.085","0.007","10.152","0.004","14.291","0.006","90","","90","","90","","2333.6","1.7","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C20 H26 Cl2 N6 O2 U -","- C20 H20 Cl2 N6 O2 U -","- C80 H80 Cl8 N24 O8 U4 -","4","0.25","","Pedrick, Elizabeth A.; Schultz, Jason W.; Wu, Guang; Mirica, Liviu M.; Hayton, Trevor W.","Perturbation of the O-U-O Angle in Uranyl by Coordination to a 12-Membered Macrocycle.","Inorganic chemistry","2016","55","11","5693","5701","10.1021/acs.inorgchem.6b00799","","","0.71073","MoKα","","0.036","0.0287","","","0.0609","0.0633","","","","","","1.052","","","","has coordinates","232592","2020-10-21","18:00:00",""
"4347954","9.434","0.002","14.676","0.003","13.464","0.004","90","","90","","90","","1864.1","0.8","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H20 Cl2 N4 O2 U -","- C16 H20 Cl2 N4 O2 U -","- C64 H80 Cl8 N16 O8 U4 -","4","0.5","","Pedrick, Elizabeth A.; Schultz, Jason W.; Wu, Guang; Mirica, Liviu M.; Hayton, Trevor W.","Perturbation of the O-U-O Angle in Uranyl by Coordination to a 12-Membered Macrocycle.","Inorganic chemistry","2016","55","11","5693","5701","10.1021/acs.inorgchem.6b00799","","","0.71073","MoKα","","0.0719","0.0304","","","0.051","0.0612","","","","","","0.949","","","","has coordinates","232592","2020-10-21","18:00:00",""
"4347955","11.7508","0.0005","18.8073","0.001","10.7623","0.0004","90","","90","","90","","2378.48","0.18","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H16 F6 N4 O8 S2 U -","- C16 H16 F6 N4 O8 S2 U -","- C64 H64 F24 N16 O32 S8 U4 -","4","1","","Pedrick, Elizabeth A.; Schultz, Jason W.; Wu, Guang; Mirica, Liviu M.; Hayton, Trevor W.","Perturbation of the O-U-O Angle in Uranyl by Coordination to a 12-Membered Macrocycle.","Inorganic chemistry","2016","55","11","5693","5701","10.1021/acs.inorgchem.6b00799","","","0.71073","MoKα","","0.0452","0.0341","","","0.0759","0.0786","","","","","","0.93","","","","has coordinates","232592","2020-10-21","18:00:00",""
"4347956","12.329","0.012","16.376","0.016","16.606","0.015","90.59","0.02","100.232","0.019","106.377","0.019","3159","5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H32 F6 N4 O9.5 S2 U -","- C24 H28.25 F6 N4 O9.5 S2 U -","- C96 H113 F24 N16 O38 S8 U4 -","4","2","","Pedrick, Elizabeth A.; Schultz, Jason W.; Wu, Guang; Mirica, Liviu M.; Hayton, Trevor W.","Perturbation of the O-U-O Angle in Uranyl by Coordination to a 12-Membered Macrocycle.","Inorganic chemistry","2016","55","11","5693","5701","10.1021/acs.inorgchem.6b00799","","","0.71073","MoKα","","0.2134","0.0612","","","0.0812","0.103","","","","","","0.823","","","","has coordinates","232592","2020-10-21","18:00:00",""
"4347957","10.3798","0.0016","10.4741","0.0018","13.053","0.002","84.364","0.008","68.693","0.006","76.419","0.008","1285","0.4","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H84 N4 O4 -","- C56 H84 N4 O4 -","- C56 H84 N4 O4 -","1","0.5","","Nakai, Hidetaka; Seo, Juncheol; Kitagawa, Kazuhiro; Goto, Takahiro; Nonaka, Kyoshiro; Matsumoto, Takahiro; Ogo, Seiji","Control of Lanthanide Coordination Environment: Synthesis, Structure, and Oxygen-Sensitive Luminescence Properties of an Eight-Coordinate Tb(III) Complex.","Inorganic chemistry","2016","55","13","6609","6615","10.1021/acs.inorgchem.6b00800","","","0.71075","MoKα","","0.0535","0.0432","","","0.1154","0.1233","","","","","","1.082","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347958","18.4142","0.0012","18.4142","0.0012","10.3199","0.0009","90","","90","","90","","3499.3","0.4","108","","108","","","","","","","","","5","I 4","I 4","79","","","","- C66 H90 N6 O4 Tb -","- C66 H90 N6 O4 Tb -","- C132 H180 N12 O8 Tb2 -","2","0.25","","Nakai, Hidetaka; Seo, Juncheol; Kitagawa, Kazuhiro; Goto, Takahiro; Nonaka, Kyoshiro; Matsumoto, Takahiro; Ogo, Seiji","Control of Lanthanide Coordination Environment: Synthesis, Structure, and Oxygen-Sensitive Luminescence Properties of an Eight-Coordinate Tb(III) Complex.","Inorganic chemistry","2016","55","13","6609","6615","10.1021/acs.inorgchem.6b00800","","","0.71075","MoKα","","0.0364","0.0353","","","0.0918","0.0922","","","","","","1.092","","","","has coordinates","232593","2020-10-21","18:00:00",""
"4347959","20.5188","0.0007","16.0971","0.001","26.4535","0.001","90","","90","","90","","8737.4","0.7","150.01","0.11","150.01","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(bis(triisopropylamido)europium(II)","","- C36 H84 Eu N2 Si4 -","- C36 H84 Eu N2 Si4 -","- C288 H672 Eu8 N16 Si32 -","8","1","","Goodwin, Conrad A. P.; Chilton, Nicholas F.; Vettese, Gianni F.; Moreno Pineda, Eufemio; Crowe, Iain F.; Ziller, Joseph W.; Winpenny, Richard E. P.; Evans, William J.; Mills, David P.","Physicochemical Properties of Near-Linear Lanthanide(II) Bis(silylamide) Complexes (Ln = Sm, Eu, Tm, Yb).","Inorganic chemistry","2016","55","20","10057","10067","10.1021/acs.inorgchem.6b00808","","","0.71073","MoKα","","0.07","0.0487","","","0.1135","0.1264","","","","","","1.039","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347960","20.4847","0.0005","16.0637","0.0007","26.4034","0.001","90","","90","","90","","8688.3","0.5","100.03","0.1","100.03","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(bis(triisopropylsilyl)amido)europium(II)","","- C36 H84 Eu N2 Si4 -","- C36 H84 Eu N2 Si4 -","- C288 H672 Eu8 N16 Si32 -","8","1","","Goodwin, Conrad A. P.; Chilton, Nicholas F.; Vettese, Gianni F.; Moreno Pineda, Eufemio; Crowe, Iain F.; Ziller, Joseph W.; Winpenny, Richard E. P.; Evans, William J.; Mills, David P.","Physicochemical Properties of Near-Linear Lanthanide(II) Bis(silylamide) Complexes (Ln = Sm, Eu, Tm, Yb).","Inorganic chemistry","2016","55","20","10057","10067","10.1021/acs.inorgchem.6b00808","","x-ray","0.71073","MoKα","","0.0552","0.0382","","","0.0726","0.0789","","","","","","1.039","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347961","10.4742","0.0007","11.9298","0.0008","19.5509","0.0014","101.437","0.0009","91.4522","0.0009","114.955","0.0008","2154.5","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H84 N2 Si4 Tm -","- C36 H84 N2 Si4 Tm -","- C72 H168 N4 Si8 Tm2 -","2","1","","Goodwin, Conrad A. P.; Chilton, Nicholas F.; Vettese, Gianni F.; Moreno Pineda, Eufemio; Crowe, Iain F.; Ziller, Joseph W.; Winpenny, Richard E. P.; Evans, William J.; Mills, David P.","Physicochemical Properties of Near-Linear Lanthanide(II) Bis(silylamide) Complexes (Ln = Sm, Eu, Tm, Yb).","Inorganic chemistry","2016","55","20","10057","10067","10.1021/acs.inorgchem.6b00808","","","0.71073","MoKα","","0.0314","0.0253","","","0.0566","0.059","","","","","","1.041","","","","has coordinates,has disorder","232594","2020-10-21","18:00:00",""
"4347962","20.4979","0.0007","16.1891","0.0006","26.1295","0.0008","90","","90","","90","","8670.9","0.5","150.02","0.1","150.02","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H84 N2 Si4 Yb -","- C36 H84 N2 Si4 Yb -","- C288 H672 N16 Si32 Yb8 -","8","1","","Goodwin, Conrad A. P.; Chilton, Nicholas F.; Vettese, Gianni F.; Moreno Pineda, Eufemio; Crowe, Iain F.; Ziller, Joseph W.; Winpenny, Richard E. P.; Evans, William J.; Mills, David P.","Physicochemical Properties of Near-Linear Lanthanide(II) Bis(silylamide) Complexes (Ln = Sm, Eu, Tm, Yb).","Inorganic chemistry","2016","55","20","10057","10067","10.1021/acs.inorgchem.6b00808","","","0.71073","MoKα","","0.0649","0.0403","","","0.07","0.0826","","","","","","1.055","","","","has coordinates,has disorder","232594","2020-10-21","18:00:00",""
"4347963","19.5621","0.0006","19.8625","0.0005","41.3879","0.0014","90","","99.319","0.003","90","","15869.1","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H102 N3 O Si4 Sm -","- C45 H102 N3 O Si4 Sm -","- C540 H1224 N36 O12 Si48 Sm12 -","12","1.5","","Goodwin, Conrad A. P.; Chilton, Nicholas F.; Vettese, Gianni F.; Moreno Pineda, Eufemio; Crowe, Iain F.; Ziller, Joseph W.; Winpenny, Richard E. P.; Evans, William J.; Mills, David P.","Physicochemical Properties of Near-Linear Lanthanide(II) Bis(silylamide) Complexes (Ln = Sm, Eu, Tm, Yb).","Inorganic chemistry","2016","55","20","10057","10067","10.1021/acs.inorgchem.6b00808","","x-ray","0.71073","MoKα","","0.0648","0.0417","","","0.0674","0.074","","","","","","1.028","","","","has coordinates,has disorder","232594","2020-10-21","18:00:00",""
"4347964","13.9505","0.0005","19.0546","0.0006","21.3221","0.0007","90","","106.927","0.003","90","","5422.3","0.3","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H94 N4 Si4 Sm -","- C48 H94 N4 Si4 Sm -","- C192 H376 N16 Si16 Sm4 -","4","1","","Goodwin, Conrad A. P.; Chilton, Nicholas F.; Vettese, Gianni F.; Moreno Pineda, Eufemio; Crowe, Iain F.; Ziller, Joseph W.; Winpenny, Richard E. P.; Evans, William J.; Mills, David P.","Physicochemical Properties of Near-Linear Lanthanide(II) Bis(silylamide) Complexes (Ln = Sm, Eu, Tm, Yb).","Inorganic chemistry","2016","55","20","10057","10067","10.1021/acs.inorgchem.6b00808","","","0.71073","MoKα","","0.0814","0.0483","","","0.0727","0.0839","","","","","","1.027","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347965","14.605","0.002","18.611","0.002","15.9","0.002","90","","106.146","0.016","90","","4151.4","1","150.02","0.1","150.02","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H124 N2 O4 Si4 Sm2 -","- C88 H124 N2 O4 Si4 Sm2 -","- C176 H248 N4 O8 Si8 Sm4 -","2","0.5","","Goodwin, Conrad A. P.; Chilton, Nicholas F.; Vettese, Gianni F.; Moreno Pineda, Eufemio; Crowe, Iain F.; Ziller, Joseph W.; Winpenny, Richard E. P.; Evans, William J.; Mills, David P.","Physicochemical Properties of Near-Linear Lanthanide(II) Bis(silylamide) Complexes (Ln = Sm, Eu, Tm, Yb).","Inorganic chemistry","2016","55","20","10057","10067","10.1021/acs.inorgchem.6b00808","","","0.71073","MoKα","","0.124","0.0607","","","0.0762","0.0923","","","","","","0.943","","","","has coordinates","232594","2020-10-21","18:00:00",""
"4347966","11.381","0.001","14.734","0.001","20.5","0.001","71.256","0.007","74.043","0.01","70.057","0.01","3006.8","0.4","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C108 Cl12 -","- C108 Cl12 -","- C216 Cl24 -","2","1","","Wang, Song; Yang, Shangfeng; Kemnitz, Erhard; Troyanov, Sergey I.","New Giant Fullerenes Identified as Chloro Derivatives: Isolated-Pentagon-Rule C108(1771)Cl12 and C106(1155)Cl24 as well as Nonclassical C104Cl24.","Inorganic chemistry","2016","55","12","5741","5743","10.1021/acs.inorgchem.6b00809","","","0.88561","synchrotron","","0.255","0.1024","","","0.1887","0.2242","","","","","","0.996","","","","has coordinates","232595","2020-10-21","18:00:00",""
"4347967","23.306","0.002","12.322","0.001","27.987","0.003","90","","113.423","0.012","90","","7374.9","1.4","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C104.46 Cl24 -","- C104.468 Cl24 -","- C417.872 Cl96 -","4","0.5","","Wang, Song; Yang, Shangfeng; Kemnitz, Erhard; Troyanov, Sergey I.","New Giant Fullerenes Identified as Chloro Derivatives: Isolated-Pentagon-Rule C108(1771)Cl12 and C106(1155)Cl24 as well as Nonclassical C104Cl24.","Inorganic chemistry","2016","55","12","5741","5743","10.1021/acs.inorgchem.6b00809","","","0.88561","synchrotron","","0.1412","0.0739","","","0.1621","0.1813","","","","","","1.09","","","","has coordinates,has disorder","232596","2020-10-21","18:00:00",""
"4347968","13.62","0.003","9.7851","0.0019","13.282","0.003","90","","90","","90","","1770.1","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H16 Cu N10 O6 -","- C12 H16 Cu N10 O6 -","- C48 H64 Cu4 N40 O24 -","4","1","","Nguyen, Nhung T. T.; Lo, Tien N. H.; Kim, Jaheon; Nguyen, Huong T. D.; Le, Toan B.; Cordova, Kyle E.; Furukawa, Hiroyasu","Mixed-Metal Zeolitic Imidazolate Frameworks and their Selective Capture of Wet Carbon Dioxide over Methane.","Inorganic chemistry","2016","55","12","6201","6207","10.1021/acs.inorgchem.6b00814","","","1.54178","CuKα","","0.0234","0.0224","","","0.057","0.0583","","","","","","1.001","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347969","10.9562","0.0004","10.9562","0.0004","6.2181","0.0002","90","","90","","90","","746.41","0.05","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C12 H12 Cu2 N8 Zn -","- C12 H12 Cu2 N8 Zn -","- C24 H24 Cu4 N16 Zn2 -","2","0.25","","Nguyen, Nhung T. T.; Lo, Tien N. H.; Kim, Jaheon; Nguyen, Huong T. D.; Le, Toan B.; Cordova, Kyle E.; Furukawa, Hiroyasu","Mixed-Metal Zeolitic Imidazolate Frameworks and their Selective Capture of Wet Carbon Dioxide over Methane.","Inorganic chemistry","2016","55","12","6201","6207","10.1021/acs.inorgchem.6b00814","","","1.54178","CuKα","","0.0204","0.0204","","","0.0589","0.0589","","","","","","1.128","","","","has coordinates","232598","2020-10-21","18:00:00",""
"4347970","11.946","0.002","13.302","0.003","17.777","0.004","90","","98.35","0.03","90","","2794.9","1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Cu1.5 N11 O1.5 Zn -","- C18 H23 Cu1.5 N11 O1.5 Zn -","- C72 H92 Cu6 N44 O6 Zn4 -","4","1","","Nguyen, Nhung T. T.; Lo, Tien N. H.; Kim, Jaheon; Nguyen, Huong T. D.; Le, Toan B.; Cordova, Kyle E.; Furukawa, Hiroyasu","Mixed-Metal Zeolitic Imidazolate Frameworks and their Selective Capture of Wet Carbon Dioxide over Methane.","Inorganic chemistry","2016","55","12","6201","6207","10.1021/acs.inorgchem.6b00814","","","1.54178","CuKα","","0.149","0.0761","","","0.1835","0.2155","","","","","","1.06","","","","has coordinates","232599","2020-10-21","18:00:00",""
"4347971","23.252","0.005","13.098","0.003","20.301","0.007","90","","114.099","0.006","90","","5644","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H26.5 Cu1.5 N14.5 Zn -","- C23 H26.5 Cu1.5 N14.5 Zn -","- C184 H212 Cu12 N116 Zn8 -","8","1","","Nguyen, Nhung T. T.; Lo, Tien N. H.; Kim, Jaheon; Nguyen, Huong T. D.; Le, Toan B.; Cordova, Kyle E.; Furukawa, Hiroyasu","Mixed-Metal Zeolitic Imidazolate Frameworks and their Selective Capture of Wet Carbon Dioxide over Methane.","Inorganic chemistry","2016","55","12","6201","6207","10.1021/acs.inorgchem.6b00814","","","1.54178","CuKα","","0.0521","0.0411","","","0.0912","0.0955","","","","","","1.258","","","","has coordinates,has disorder","232600","2020-10-21","18:00:00",""
"4347972","12.1289","0.0003","19.7968","0.0014","22.255","0.0011","90","","101.161","0.004","90","","5242.7","0.5","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 Cu2 F9 N7 O13 S4 -","- C42 H46 Cu2 F9 N7 O13 S4 -","- C168 H184 Cu8 F36 N28 O52 S16 -","4","1","","Esmieu, Charlène; Orio, Maylis; Le Pape, Laurent; Lebrun, Colette; Pécaut, Jacques; Ménage, Stéphane; Torelli, Stéphane","Redox-Innocent Metal-Assisted Cleavage of S-S Bond in a Disulfide-Containing Ligand.","Inorganic chemistry","2016","55","12","6208","6217","10.1021/acs.inorgchem.6b00819","","","0.71073","MoKα","","0.1068","0.0613","","","0.1317","0.1516","","","","","","1.015","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347973","13.9189","0.0006","17.8863","0.001","25.2254","0.0013","87.155","0.004","77.418","0.004","75.588","0.005","5936.3","0.5","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C91.49 H89.22 Cu4 F24 N20.74 O24 S10 -","- C91.486 H89.229 Cu4 F24 N20.743 O24 S10 -","- C182.972 H178.458 Cu8 F48 N41.486 O48 S20 -","2","1","","Esmieu, Charlène; Orio, Maylis; Le Pape, Laurent; Lebrun, Colette; Pécaut, Jacques; Ménage, Stéphane; Torelli, Stéphane","Redox-Innocent Metal-Assisted Cleavage of S-S Bond in a Disulfide-Containing Ligand.","Inorganic chemistry","2016","55","12","6208","6217","10.1021/acs.inorgchem.6b00819","","","0.71073","MoKα","","0.1898","0.0959","","","0.2205","0.2731","","","","","","1.018","","","","has coordinates,has disorder","232603","2020-10-21","18:00:00",""
"4347974","13.0878","0.001","18.9012","0.0013","20.7938","0.0014","90","","104.188","0.008","90","","4987","0.6","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H39 Cu2 F9 N8 O11.58 S4 -","- C40 H39 Cu2 F9 N8 O11.578 S4 -","- C160 H156 Cu8 F36 N32 O46.312 S16 -","4","1","","Esmieu, Charlène; Orio, Maylis; Le Pape, Laurent; Lebrun, Colette; Pécaut, Jacques; Ménage, Stéphane; Torelli, Stéphane","Redox-Innocent Metal-Assisted Cleavage of S-S Bond in a Disulfide-Containing Ligand.","Inorganic chemistry","2016","55","12","6208","6217","10.1021/acs.inorgchem.6b00819","","","0.71073","MoKα","","0.098","0.0604","","","0.1465","0.1762","","","","","","1.063","","","","has coordinates,has disorder","232604","2020-10-21","18:00:00",""
"4347975","5.4262","0.0005","9.5083","0.0009","32.704","0.004","90","","90.447","0.004","90","","1687.3","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl2 O P -","- C19 H15 Cl2 O P -","- C76 H60 Cl8 O4 P4 -","4","1","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","0.71073","MoKα","","0.0874","0.0459","","","0.08","0.0927","","","","","","1.011","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347976","14.2038","0.001","8.1279","0.0005","19.2114","0.0013","90","","106.46","0.005","90","","2127","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H46 N2 O2 P2 Pd S4 -","- C44 H46 N2 O2 P2 Pd S4 -","- C88 H92 N4 O4 P4 Pd2 S8 -","2","0.5","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","1.54178","CuKα","","0.067","0.0467","","","0.1181","0.1305","","","","","","1.037","","","","has coordinates","232606","2020-10-21","18:00:00",""
"4347977","24.417","0.003","11.1257","0.0014","16.921","0.002","90","","111.05","0.003","90","","4289.9","0.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 Co N O2 P2 S4 -","- C46 H50 Co N O2 P2 S4 -","- C184 H200 Co4 N4 O8 P8 S16 -","4","0.5","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","0.71073","MoKα","","0.0762","0.041","","","0.0822","0.0984","","","","","","1.045","","","","has coordinates,has disorder","232607","2020-10-21","18:00:00",""
"4347978","3.9679","0.0006","12.692","0.002","11.008","0.0016","90","","92.342","0.005","90","","553.91","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 B2 Br2 S4 -","- C6 H2 B2 Br2 S4 -","- C12 H4 B4 Br4 S8 -","2","0.5","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","0.71073","MoKα","","0.0523","0.0456","","","0.1129","0.1152","","","","","","1.169","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347979","7.6486","0.0006","14.1797","0.0009","15.0546","0.0012","90","","96.171","0.002","90","","1623.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 B2 Br3 S4 -","- C9 H9 B2 Br3 S4 -","- C36 H36 B8 Br12 S16 -","4","1","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","0.71073","MoKα","","0.0519","0.0249","","","0.0388","0.0443","","","","","","1.01","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347980","5.4293","0.0004","17.2807","0.001","17.9861","0.0011","90","","95.141","0.003","90","","1680.71","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 P S2 -","- C19 H17 P S2 -","- C76 H68 P4 S8 -","4","1","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","0.71073","MoKα","","0.0452","0.0321","","","0.0832","0.0889","","","","","","1.041","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347981","21.395","0.004","10.626","0.002","15.892","0.003","90","","112.32","0.03","90","","3342.2","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 B2 Br4 S3 -","- C9 H10 B2 Br4 S3 -","- C72 H80 B16 Br32 S24 -","8","1","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","0.71073","MoKα","","0.0715","0.0415","","","0.0732","0.0797","","","","","","1.051","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347982","8.1081","0.0005","10.9683","0.0006","15.0822","0.0008","97.811","0.003","103.292","0.003","101.172","0.003","1257.54","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 B3 Br7 S4 -","- C12 H16 B3 Br7 S4 -","- C24 H32 B6 Br14 S8 -","2","1","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","0.71073","MoKα","","0.07","0.0349","","","0.0456","0.0514","","","","","","0.966","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347983","12.69","0.002","13.161","0.003","13.853","0.003","109.413","0.006","99.263","0.006","92.666","0.005","2141.2","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H46 N Ni O2 P2 S4 -","- C44 H46 N Ni O2 P2 S4 -","- C88 H92 N2 Ni2 O4 P4 S8 -","2","1","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","0.71073","MoKα","","0.1655","0.0627","","","0.1056","0.1367","","","","","","0.976","","","","has coordinates","232613","2020-10-21","18:00:00",""
"4347984","6.3515","0.0012","20.724","0.003","17.811","0.003","90","","98.948","0.009","90","","2315.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 O P S2 -","- C25 H29 O P S2 -","- C100 H116 O4 P4 S8 -","4","1","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","0.71073","MoKα","","0.1425","0.0945","","","0.255","0.2801","","","","","","1.094","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347985","11.4978","0.0005","13.3495","0.0006","22.0594","0.0011","90","","90","","90","","3385.9","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 O P S2 -","- C19 H17 O P S2 -","- C152 H136 O8 P8 S16 -","8","1","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","0.71073","MoKα","","0.064","0.0458","","","0.1004","0.1085","","","","","","1.121","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347986","16.9087","0.0017","16.9087","0.0017","16.6617","0.0017","90","","90","","90","","4763.6","0.8","298","2","298","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C24 H84 Co4 N16 Nb10 O46 P V6 -","- C24 H84 Co4 N16 Nb10 O46 P V6 -","- C48 H168 Co8 N32 Nb20 O92 P2 V12 -","2","0.125","","Hu, Jufang; Wang, Yin; Zhang, Xinning; Chi, Yingnan; Yang, Song; Li, Jikun; Hu, Changwen","Controllable Assembly of Vanadium-Containing Polyoxoniobate-Based Three-Dimensional Organic-Inorganic Hybrid Compounds and Their Photocatalytic Properties.","Inorganic chemistry","2016","55","15","7501","7507","10.1021/acs.inorgchem.6b00823","","","0.71073","MoKα","","0.0611","0.0482","","","0.1329","0.1402","","","","","","0.996","","","","has coordinates","232616","2020-10-21","18:00:00",""
"4347987","13.303","0.0011","14.126","0.0012","14.3554","0.0013","77.171","0.001","80.038","0.002","63.088","0.001","2337.3","0.3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H122 Co5 N20 Nb12 O58 P V6 -","- C30 H122 Co5 N20 Nb12 O58 P V6 -","- C30 H122 Co5 N20 Nb12 O58 P V6 -","1","0.5","","Hu, Jufang; Wang, Yin; Zhang, Xinning; Chi, Yingnan; Yang, Song; Li, Jikun; Hu, Changwen","Controllable Assembly of Vanadium-Containing Polyoxoniobate-Based Three-Dimensional Organic-Inorganic Hybrid Compounds and Their Photocatalytic Properties.","Inorganic chemistry","2016","55","15","7501","7507","10.1021/acs.inorgchem.6b00823","","","0.71073","MoKα","","0.1099","0.0612","","","0.1588","0.1986","","","","","","1.024","","","","has coordinates,has disorder","232616","2020-10-21","18:00:00",""
"4347988","6.989","0.0001","11.5447","0.0002","17.1361","0.0003","87.1034","0.0013","87.0287","0.0014","73.1174","0.0013","1320.36","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","SQ1","","","- C28 H29.5 N4 O8 -","- C28 H29.5 N4 O8 -","- C56 H59 N8 O16 -","2","1","","Cohen, Seth M.; Zhang, Zhenjie; Boissonnault, Jake A.","Toward ""metalloMOFzymes"": Metal-Organic Frameworks with Single-Site Metal Catalysts for Small-Molecule Transformations.","Inorganic chemistry","2016","55","15","7281","7290","10.1021/acs.inorgchem.6b00828","","","1.54178","CuKα","","0.075","0.0512","","","0.1369","0.1545","","","","","","1.025","","","","has coordinates,has disorder","232618","2020-10-21","18:00:00",""
"4347989","7.7694","0.0003","20.715","0.0008","7.7727","0.0003","90","","115.385","0.0011","90","","1130.18","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.0497","0.0375","","","0.0973","0.1035","","","","","","1.044","","","","has coordinates","232620","2020-10-21","18:00:00",""
"4347990","6.8414","0.0002","17.9762","0.0004","10.9752","0.0003","90","","93.984","0.001","90","","1346.49","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C60 H64 N8 O16 -","4","1","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.0534","0.0415","","","0.0981","0.1036","","","","","","1.052","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347991","5.7373","0.0002","26.2795","0.0008","7.3317","0.0002","90","","102.146","0.001","90","","1080.68","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 F N2 O2 -","- C12 H11 F N2 O2 -","- C48 H44 F4 N8 O8 -","4","1","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.054","0.0422","","","0.1134","0.1198","","","","","","1.053","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347992","7.5315","0.0006","8.0931","0.0007","20.7005","0.0016","91.05","0.002","90.542","0.002","117.54","0.002","1118.37","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Br N2 O -","- C12 H11 Br N2 O -","- C48 H44 Br4 N8 O4 -","4","2","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.0553","0.0357","","","0.0582","0.0616","","","","","","0.995","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347993","6.8751","0.0002","8.0439","0.0002","10.0589","0.0003","92.1523","0.0013","96.7115","0.0012","98.5268","0.0012","545.51","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Cl N2 O2 -","- C12 H11 Cl N2 O2 -","- C24 H22 Cl2 N4 O4 -","2","1","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.0426","0.0316","","","0.0781","0.0823","","","","","","1.038","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347994","7.0858","0.0002","7.1022","0.0002","11.1505","0.0004","79.694","0.001","78.502","0.001","78.265","0.001","532.76","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C24 H24 N4 O6 -","2","1","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.0389","0.0326","","","0.0884","0.0928","","","","","","1.046","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4347996","14.4323","0.0011","6.9502","0.0006","14.6149","0.0013","90","","105.291","0.003","90","","1414.1","0.2","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","0.5","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.0407","0.0357","","","0.0999","0.1035","","","","","","1.047","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347998","6.9804","0.0005","11.3198","0.0007","13.3247","0.0008","90","","103.543","0.002","90","","1023.6","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F N2 O -","- C12 H11 F N2 O -","- C48 H44 F4 N8 O4 -","4","1","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.0606","0.0529","","","0.1538","0.1581","","","","","","1.143","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4348000","7.5769","0.0002","21.9043","0.0007","7.5614","0.0002","90","","118.253","0.001","90","","1105.43","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C52 H56 N8 O4 -","4","1","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.0433","0.0373","","","0.0974","0.1015","","","","","","1.048","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4348002","7.0394","0.0003","7.4097","0.0003","11.9281","0.0005","86.993","0.001","76.794","0.001","68.403","0.001","562.85","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C26 H28 N4 O4 -","2","1","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.0448","0.0376","","","0.1037","0.1086","","","","","","1.044","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4348003","7.4018","0.001","8.1588","0.0011","20.397","0.003","91.395","0.004","90.755","0.004","117.298","0.003","1093.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Cl N2 O -","- C12 H11 Cl N2 O -","- C48 H44 Cl4 N8 O4 -","4","2","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.0862","0.048","","","0.0868","0.0936","","","","","","0.981","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4348008","13.4682","0.0003","11.7809","0.0002","30.2654","0.0006","90","","90","","90","","4802.14","0.16","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H35 Cs Li N2 Si4 -","- C12 H35 Cs Li N2 Si4 -","- C96 H280 Cs8 Li8 N16 Si32 -","8","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Structural Studies of Cesium, Lithium/Cesium, and Sodium/Cesium Bis(trimethylsilyl)amide (HMDS) Complexes.","Inorganic chemistry","2016","55","11","5719","5728","10.1021/acs.inorgchem.6b00839","","","1.54184","CuKα","","0.04","0.0336","","","0.0862","0.0912","","","","","","1.032","","","","has coordinates,has disorder","232638","2020-10-21","18:00:00",""
"4348009","11.4391","0.0006","11.6765","0.0006","12.9108","0.0005","106.202","0.004","93.447","0.004","114.11","0.005","1481.41","0.15","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H44 Cs N2 Na Si4 -","- C19 H44 Cs0.989 N2 Na Si4 -","- C38 H88 Cs1.978 N4 Na2 Si8 -","2","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Structural Studies of Cesium, Lithium/Cesium, and Sodium/Cesium Bis(trimethylsilyl)amide (HMDS) Complexes.","Inorganic chemistry","2016","55","11","5719","5728","10.1021/acs.inorgchem.6b00839","","","1.54184","CuKα","","0.0437","0.0378","","","0.0962","0.1","","","","","","1.041","","","","has coordinates","286259","2023-09-07","06:04:50",""
"4348010","12.91754","0.00014","12.61987","0.00012","15.1223","0.0002","90","","108.497","0.0013","90","","2337.85","0.05","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H80 Cs2 N6 Si4 -","- C32 H80 Cs2 N6 Si4 -","- C64 H160 Cs4 N12 Si8 -","2","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Structural Studies of Cesium, Lithium/Cesium, and Sodium/Cesium Bis(trimethylsilyl)amide (HMDS) Complexes.","Inorganic chemistry","2016","55","11","5719","5728","10.1021/acs.inorgchem.6b00839","","","0.71073","MoKα","","0.0273","0.0248","","","0.0514","0.0522","","","","","","1.046","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4348011","23.3554","0.0005","8.7973","0.0002","20.8394","0.0005","90","","95.346","0.002","90","","4263.13","0.17","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H68 Cs2 N6 Si4 -","- C24 H68 Cs2 N6 Si4 -","- C96 H272 Cs8 N24 Si16 -","4","0.5","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Structural Studies of Cesium, Lithium/Cesium, and Sodium/Cesium Bis(trimethylsilyl)amide (HMDS) Complexes.","Inorganic chemistry","2016","55","11","5719","5728","10.1021/acs.inorgchem.6b00839","","","0.71073","MoKα","","0.0299","0.0249","","","0.0516","0.054","","","","","","1.283","","","","has coordinates,has disorder","232638","2020-10-21","18:00:00",""
"4348012","11.7055","0.0004","11.7849","0.0005","17.8482","0.0008","90","","100.379","0.004","90","","2421.84","0.17","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H82 Cs2 N8 Si4 -","- C30 H82 Cs2 N8 Si4 -","- C60 H164 Cs4 N16 Si8 -","2","0.5","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Structural Studies of Cesium, Lithium/Cesium, and Sodium/Cesium Bis(trimethylsilyl)amide (HMDS) Complexes.","Inorganic chemistry","2016","55","11","5719","5728","10.1021/acs.inorgchem.6b00839","","","0.71073","MoKα","","0.0351","0.0274","","","0.0552","0.0582","","","","","","1.085","","","","has coordinates,has disorder","232638","2020-10-21","18:00:00",""
"4348013","11.0696","0.0005","13.2566","0.0007","16.0829","0.0007","106.321","0.004","98.475","0.004","95.449","0.004","2217.01","0.19","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C27.5 H70 Cs2 N6 Si4 -","- C27.5 H70 Cs2 N6 Si4 -","- C55 H140 Cs4 N12 Si8 -","2","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Structural Studies of Cesium, Lithium/Cesium, and Sodium/Cesium Bis(trimethylsilyl)amide (HMDS) Complexes.","Inorganic chemistry","2016","55","11","5719","5728","10.1021/acs.inorgchem.6b00839","","","0.71073","MoKα","","0.0407","0.0286","","","0.0638","0.0725","","","","","","1.102","","","","has coordinates,has disorder","232638","2020-10-21","18:00:00",""
"4348014","10.1936","0.0008","11.0301","0.0007","15.1092","0.0008","82.412","0.005","83.998","0.006","67.642","0.007","1554.62","0.19","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H51 Cs N2 O6 Si2 -","- C21 H51 Cs N2 O6 Si2 -","- C42 H102 Cs2 N4 O12 Si4 -","2","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Structural Studies of Cesium, Lithium/Cesium, and Sodium/Cesium Bis(trimethylsilyl)amide (HMDS) Complexes.","Inorganic chemistry","2016","55","11","5719","5728","10.1021/acs.inorgchem.6b00839","","","0.71073","MoKα","","0.0334","0.0265","","","0.0532","0.0563","","","","","","1.038","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4348015","12.8932","0.0006","13.3868","0.0007","13.8876","0.0007","117.522","0.002","94.824","0.002","105.152","0.002","1992.19","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H25 B F4 N4 O3 Ru -","- C35 H25 B F4 N4 O3 Ru -","- C70 H50 B2 F8 N8 O6 Ru2 -","2","1","","Han, Xiaozhen; Klausmeyer, Kevin K.; Farmer, Patrick J.","Characterization of the Initial Intermediate Formed during Photoinduced Oxygenation of the Ruthenium(II) Bis(bipyridyl)flavonolate Complex.","Inorganic chemistry","2016","55","15","7320","7322","10.1021/acs.inorgchem.6b00852","","","0.71073","MoKα","","0.071","0.0636","","","0.1664","0.1745","","","","","","1.147","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4348016","36.913","0.01","36.913","0.01","15.452","0.004","90","","90","","90","","21054","10","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C58 H36 F15 Ir N6 -","- C58 H36 F15 Ir N6 -","- C928 H576 F240 Ir16 N96 -","16","1","","Maurya, Yogesh Kumar; Ishikawa, Takahiro; Kawabe, Yasunori; Ishida, Masatoshi; Toganoh, Motoki; Mori, Shigeki; Yasutake, Yuhsuke; Fukatsu, Susumu; Furuta, Hiroyuki","Near-Infrared Phosphorescent Iridium(III) Benzonorrole Complexes Possessing Pyridine-based Axial Ligands.","Inorganic chemistry","2016","55","12","6223","6230","10.1021/acs.inorgchem.6b00853","","","0.71075","MoKα","","0.0775","0.074","","","0.1524","0.154","","","","","","1.219","","","","has coordinates","232643","2020-10-21","18:00:00",""
"4348017","11.0104","0.0017","15.3207","0.0016","19.061","0.003","66.406","0.006","89.66","0.008","70.254","0.006","2742","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H44 F15 Ir N8 -","- C61 H44 F15 Ir N8 -","- C122 H88 F30 Ir2 N16 -","2","1","","Maurya, Yogesh Kumar; Ishikawa, Takahiro; Kawabe, Yasunori; Ishida, Masatoshi; Toganoh, Motoki; Mori, Shigeki; Yasutake, Yuhsuke; Fukatsu, Susumu; Furuta, Hiroyuki","Near-Infrared Phosphorescent Iridium(III) Benzonorrole Complexes Possessing Pyridine-based Axial Ligands.","Inorganic chemistry","2016","55","12","6223","6230","10.1021/acs.inorgchem.6b00853","","","0.71075","MoKα","","0.0546","0.0467","","","0.104","0.1096","","","","","","1.066","","","","has coordinates,has disorder","232645","2020-10-21","18:00:00",""
"4348018","8.709","0.0004","15.0672","0.0006","18.6382","0.0007","90","","104.019","0.002","90","","2372.86","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Co(tdmmb)(CN)2]2H2O","","","- C25 H25 Co N9 O2 -","- C25 H25 Co N9 O2 -","- C100 H100 Co4 N36 O8 -","4","1","","Shao, Dong; Zhang, Shao-Liang; Shi, Le; Zhang, Yi-Quan; Wang, Xin-Yi","Probing the Effect of Axial Ligands on Easy-Plane Anisotropy of Pentagonal-Bipyramidal Cobalt(II) Single-Ion Magnets.","Inorganic chemistry","2016","55","21","10859","10869","10.1021/acs.inorgchem.6b00854","","","0.71073","MoKα","","0.0392","0.0307","","","0.0769","0.0815","","","","","","1.03","","","","has coordinates","232647","2020-10-21","18:00:00",""
"4348019","34.7559","0.0019","9.6439","0.0005","14.2612","0.0008","90","","90","","90","","4780.1","0.4","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","[Co(tdmmb)(NCS)2]","","","- C25 H21 Co N9 S2 -","- C25 H21 Co N9 S2 -","- C200 H168 Co8 N72 S16 -","8","0.5","","Shao, Dong; Zhang, Shao-Liang; Shi, Le; Zhang, Yi-Quan; Wang, Xin-Yi","Probing the Effect of Axial Ligands on Easy-Plane Anisotropy of Pentagonal-Bipyramidal Cobalt(II) Single-Ion Magnets.","Inorganic chemistry","2016","55","21","10859","10869","10.1021/acs.inorgchem.6b00854","","","0.71073","MoKα","","0.0507","0.0503","","","0.1189","0.1191","","","","","","1.102","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4348020","12.311","0.003","19.802","0.005","11.859","0.003","90","","93.549","0.004","90","","2885.5","1.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Co(tdmmb)(SPh)2]","","","- C35 H31 Co N7 S2 -","- C35 H31 Co N7 S2 -","- C140 H124 Co4 N28 S8 -","4","1","","Shao, Dong; Zhang, Shao-Liang; Shi, Le; Zhang, Yi-Quan; Wang, Xin-Yi","Probing the Effect of Axial Ligands on Easy-Plane Anisotropy of Pentagonal-Bipyramidal Cobalt(II) Single-Ion Magnets.","Inorganic chemistry","2016","55","21","10859","10869","10.1021/acs.inorgchem.6b00854","","","0.71073","MoKα","","0.0518","0.0426","","","0.109","0.1181","","","","","","1.038","","","","has coordinates","232647","2020-10-21","18:00:00",""
"4348021","20.4751","0.0003","20.4751","0.0003","10.4075","0.0002","90","","90","","120","","3778.58","0.11","295.4","0.1","295.4","0.1","","","","","","","","6","P 63","P 6c","173","","","","- C1.1 H0.7 K0.03 Mn0.1 Na0.03 O0.73 -","- C1.1 H0.7 K0.0333333 Mn0.1 Na0.0333333 O0.733333 -","- C66 H42 K2 Mn6 Na2 O44 -","60","10","","Xu, Zhong-Xuan; Liu, Liyang; Zhang, Jian","Synthesis of Metal-Organic Zeolites with Homochirality and High Porosity for Enantioselective Separation.","Inorganic chemistry","2016","55","13","6355","6357","10.1021/acs.inorgchem.6b00865","","","1.54178","CuKα","","0.0391","0.0353","","","0.0943","0.0978","","","","","","1.058","","","","has coordinates","232649","2020-10-21","18:00:00",""
"4348022","20.4489","0.0004","20.4489","0.0004","10.3928","0.0002","90","","90","","120","","3763.6","0.13","293.58","0.1","293.58","0.1","","","","","","","","6","P 63","P 6c","173","","","","- C11 H7 K0.33 Mn Na0.33 O7.33 -","- C11 H7 K0.333333 Mn Na0.333333 O7.33333 -","- C66 H42 K2 Mn6 Na2 O44 -","6","1","","Xu, Zhong-Xuan; Liu, Liyang; Zhang, Jian","Synthesis of Metal-Organic Zeolites with Homochirality and High Porosity for Enantioselective Separation.","Inorganic chemistry","2016","55","13","6355","6357","10.1021/acs.inorgchem.6b00865","","","1.54178","CuKα","","0.0413","0.0375","","","0.0955","0.0976","","","","","","1.062","","","","has coordinates","232649","2020-10-21","18:00:00",""
"4348023","11.5098","0.0012","12.9494","0.0014","14.6016","0.0016","85.639","0.006","82.851","0.005","66.091","0.005","1973.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C3.4 H10.6 Na O3.4 Si -","- C3.4 H10.6 Na O3.4 Si -","- C34 H106 Na10 O34 Si10 -","10","5","","Richers, Casseday P.; Bertke, Jeffery; Rauchfuss, Thomas B.","Insights into the Hydrolytic Polymerization of Trimethoxymethylsilane. Crystal Structure of (MeO)2MeSiONa.","Inorganic chemistry","2016","55","12","5744","5746","10.1021/acs.inorgchem.6b00874","","","0.71073","MoKα","","0.0384","0.0349","","","0.0973","0.1003","","","","","","1.049","","","","has coordinates,has disorder","289031","2024-01-11","08:36:03",""
"4348024","22.771","0.004","13.153","0.0014","15.402","0.002","90","","130.597","0.008","90","","3502.7","0.9","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H22 N6 O4 Ru -","- C32 H22 N6 O4 Ru -","- C128 H88 N24 O16 Ru4 -","4","1","","Beauvilliers, Evan E.; Meyer, Gerald J.","Evidence for Cation-Controlled Excited-State Localization in a Ruthenium Polypyridyl Compound.","Inorganic chemistry","2016","55","15","7517","7526","10.1021/acs.inorgchem.6b00876","","","1.54178","CuKα","","0.0327","0.0319","","","0.0804","0.0809","","","","","","1.032","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4348025","27.981","0.002","11.2983","0.0008","11.8755","0.0009","90","","98.939","0.001","90","","3708.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C90 H48 Eu2 O36 -","- C90 H48 Eu2 O36 -","- C180 H96 Eu4 O72 -","2","0.5","","Einkauf, Jeffrey D.; Kelley, Tanya T.; Chan, Benny C.; de Lill, Daniel T.","Rethinking Sensitized Luminescence in Lanthanide Coordination Polymers and MOFs: Band Sensitization and Water Enhanced Eu Luminescence in [Ln(C15H9O5)3(H2O)3]n (Ln = Eu, Tb).","Inorganic chemistry","2016","55","16","7920","7927","10.1021/acs.inorgchem.6b00878","","","0.71073","MoKα","","0.0916","0.0483","","","0.104","0.1227","","","","","","1.003","","","","has coordinates","232654","2020-10-21","18:00:00",""
"4348026","19.3028","0.0009","15.8763","0.0007","24.1422","0.0011","90","","90","","90","","7398.5","0.6","93","","93","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H34 F12 N7 O5 P2 Ru2 -","- C28 H34 F12 N7 O5 P2 Ru2 -","- C224 H272 F96 N56 O40 P16 Ru16 -","8","1","","Suzuki, Tomoyo; Suzuki, Yutaka; Kawamoto, Tatsuya; Miyamoto, Ryo; Nanbu, Shinkoh; Nagao, Hirotaka","Dinuclear Ruthenium(III)-Ruthenium(IV) Complexes, Having a Doubly Oxido-Bridged and Acetato- or Nitrato-Capped Framework.","Inorganic chemistry","2016","55","14","6830","6832","10.1021/acs.inorgchem.6b00890","","","0.71075","MoKα","","0.0509","0.0478","","","0.1194","0.122","","","","","","1.161","","","","has coordinates","232656","2020-10-21","18:00:00",""
"4348027","21.719","0.003","19.469","0.002","20.835","0.002","90","","108.856","0.002","90","","8337.2","1.6","298","2","298.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C70 H48 N8 O12 Zn3 -","- C70 H48 N8 O12 Zn3 -","- C280 H192 N32 O48 Zn12 -","4","1","","Zhang, Jie; Li, Zijian; Gong, Wei; Han, Xing; Liu, Yan; Cui, Yong","Chiral DHIP-Based Metal-Organic Frameworks for Enantioselective Recognition and Separation.","Inorganic chemistry","2016","55","15","7229","7232","10.1021/acs.inorgchem.6b00894","","","0.71073","MoKα","","0.1076","0.0524","","","0.1264","0.1512","","","","","","0.953","","","","has coordinates","232659","2020-10-21","18:00:00",""
"4348028","11.6274","0.0018","19.663","0.004","32.678","0.006","90","","90","","90","","7471","2","259","2","259.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C70 H48 Cd3 N8 O12 -","- C70 H48 Cd3 N8 O12 -","- C280 H192 Cd12 N32 O48 -","4","1","","Zhang, Jie; Li, Zijian; Gong, Wei; Han, Xing; Liu, Yan; Cui, Yong","Chiral DHIP-Based Metal-Organic Frameworks for Enantioselective Recognition and Separation.","Inorganic chemistry","2016","55","15","7229","7232","10.1021/acs.inorgchem.6b00894","","","0.71073","MoKα","","0.134","0.075","","","0.1884","0.2327","","","","","","0.982","","","","has coordinates","232661","2020-10-21","18:00:00",""
"4348029","20.693","0.003","23.662","0.003","20.977","0.003","90","","116.892","0.002","90","","9160","2","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H35 Cl3 N10 O13 Os2 -","- C43 H35 Cl3 N10 O13 Os2 -","- C344 H280 Cl24 N80 O104 Os16 -","8","2","","Das, Ankita; Ghosh, Prabir; Priego, José Luis; Jiménez-Aparicio, Reyes; Lahiri, Goutam Kumar","Unsymmetric (μ-oxido)/(μ-pyrazolato) and Symmetric (μ-pyrazolato)2 Bridged Diosmium Frameworks: Electronic Structure and Magnetic Properties.","Inorganic chemistry","2016","55","17","8396","8406","10.1021/acs.inorgchem.6b00898","","","0.71075","MoKα","","0.0489","0.0379","","","0.0895","0.0989","","","","","","1.095","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4348030","10.134","0.007","14.0076","0.001","16.941","0.012","82.37","0.03","85.35","0.03","71.88","0.02","2263","2","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 Cl2 N12 O8 Os2 -","- C46 H38 Cl2 N12 O8 Os2 -","- C92 H76 Cl4 N24 O16 Os4 -","2","1","","Das, Ankita; Ghosh, Prabir; Priego, José Luis; Jiménez-Aparicio, Reyes; Lahiri, Goutam Kumar","Unsymmetric (μ-oxido)/(μ-pyrazolato) and Symmetric (μ-pyrazolato)2 Bridged Diosmium Frameworks: Electronic Structure and Magnetic Properties.","Inorganic chemistry","2016","55","17","8396","8406","10.1021/acs.inorgchem.6b00898","","","0.7107","MoKα","","0.0704","0.0624","","","0.146","0.1567","","","","","","1.13","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4348031","37.9167","0.0011","25.2465","0.0005","41.6881","0.0012","90","","105.587","0.003","90","","38438.9","1.8","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[(Mn3Mo14O56)@Ag64(C6H9)38(CF3COO)8](OH).10CH3CN.2H2O","","","- C264 H313 Ag64 F24 Mn3 Mo14 N10 O75 -","- C264 H313 Ag64 F24 Mn3 Mo14 N10 O75 -","- C1056 H1252 Ag256 F96 Mn12 Mo56 N40 O300 -","4","0.5","","Wang, Jian-Yu; Liu, Kuan-Guan; Guan, Zong-Jie; Nan, Zi-Ang; Lin, Yu-Mei; Wang, Quan-Ming","[Mn(III)Mn(IV)2Mo14O56](17-): A Mixed-Valence Meso-Polyoxometalate Anion Encapsulated by a 64-Nuclearity Silver Cluster.","Inorganic chemistry","2016","55","14","6833","6835","10.1021/acs.inorgchem.6b00901","","","0.71073","MoKα","","0.0904","0.0576","","","0.1404","0.1588","","","","","","1.118","","","","has coordinates,has disorder","232668","2020-10-21","18:00:00",""
"4348032","11.1219","0.0006","21.1832","0.0013","6.8152","0.0003","90","","118.754","0.002","90","","1407.66","0.13","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","jaa29_0ma","K[(C11H11NO4)CuCl] 2(H2O)","","- C11 H15 Cl Cu K N O6 -","- C11 H15 Cl Cu K N O6 -","- C44 H60 Cl4 Cu4 K4 N4 O24 -","4","0.5","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.71073","MoKα","","0.0187","0.018","","","0.0441","0.0445","","","","","","1.098","","","","has coordinates","232671","2020-10-21","18:00:00",""
"4348033","9.1417","0.0008","26.613","0.002","17.0582","0.0014","90","","95.316","0.001","90","","4132.2","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","jaa15_0m","[(C21H29NO8)Cu(C4H8O)](SO3CF3)2","","- C27 H37 Cu F6 N O15 S2 -","- C27 H37 Cu F6 N O15 S2 -","- C108 H148 Cu4 F24 N4 O60 S8 -","4","1","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.71073","MoKα","","0.0383","0.033","","","0.0795","0.0831","","","","","","1.033","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4348034","7.5984","0.0016","10.346","0.002","10.831","0.007","81.81","0.003","88.158","0.004","86.912","0.003","841.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","jaa19","K2[(C13H9NO8)Zn(H2O)] 2(H2O)","","- C13 H15 K2 N O11 Zn -","- C13 H11 K2 N O11 Zn -","- C26 H22 K4 N2 O22 Zn2 -","2","1","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.71073","MoKα","","0.0324","0.0307","","","0.0788","0.0802","","","","","","1.073","","","","has coordinates","232676","2020-10-21","18:00:00",""
"4348035","8.3978","0.0006","7.3031","0.0005","19.9835","0.0014","90","","90.631","0.003","90","","1225.51","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jaa28_0m","[(C11H11NO4)Cu(H2O)] H2O","","- C11 H15 Cu N O6 -","- C11 H13 Cu N O6 -","- C44 H52 Cu4 N4 O24 -","4","1","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.71073","MoKα","","0.0527","0.0381","","","0.0868","0.0945","","","","","","1.055","","","","has coordinates,has disorder","232678","2020-10-21","18:00:00",""
"4348036","7.5937","0.0004","10.352","0.0004","10.9128","0.0005","81.5","0.002","88.018","0.002","86.82","0.002","846.82","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","jaa24","K2[(C13H9NO8)Fe(H2O)] 2(H2O)","","- C13 H15 Fe K2 N O11 -","- C13 H11 Fe K2 N O11 -","- C26 H22 Fe2 K4 N2 O22 -","2","1","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.71073","MoKα","","0.0508","0.0418","","","0.1027","0.1084","","","","","","1.042","","","","has coordinates,has disorder","232679","2020-10-21","18:00:00",""
"4348037","11.7659","0.0005","12.2288","0.0005","12.3782","0.0005","106.112","0.002","110.326","0.002","92.152","0.002","1586.67","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H29 Co2 K3 N2 O22 -","- C26 H25 Co2 K3 N2 O22 -","- C52 H50 Co4 K6 N4 O44 -","2","1","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.6888","synchrotron","","0.0983","0.055","","","0.1214","0.1402","","","","","","1.019","","","","has coordinates","232681","2020-10-21","18:00:00",""
"4348038","10.94","0.003","7.356","0.0018","19.736","0.005","90","","91.859","0.004","90","","1587.4","0.7","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C13 H16 Li2 N Ni O11.5 -","- C13 H16 Li2 N Ni O11.5 -","- C52 H64 Li8 N4 Ni4 O46 -","4","1","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.8856","synchrotron","","0.0444","0.042","","","0.1095","0.1108","","","","","","1.053","","","","has coordinates","232682","2020-10-21","18:00:00",""
"4348039","10.7371","0.0016","7.9321","0.0012","19.908","0.003","90","","100.781","0.002","90","","1665.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cs2[(C13H9NO8)Ni(H2O)]","","- C13 H11 Cs2 N Ni O9 -","- C13 H11 Cs2 N Ni O9 -","- C52 H44 Cs8 N4 Ni4 O36 -","4","1","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.7749","synchrotron","","0.0219","0.0207","","","0.0545","0.0555","","","","","","1.029","","","","has coordinates","232683","2020-10-21","18:00:00",""
"4348040","21.901","0.005","7.445","0.0017","13.408","0.003","90","","115.296","0.003","90","","1976.6","0.8","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","K2[(C13H9NO8)Co(0.5(OCH3))] 4(H2O)","","- C13.5 H20.04 Co K2 N O13.52 -","- C13.5 H16 Co K2 N O13.52 -","- C54 H64 Co4 K8 N4 O54.08 -","4","0.5","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","x-ray","0.7749","synchrotron","","0.0714","0.0628","","","0.1626","0.1664","","","","","","1.181","","","","has coordinates,has disorder","232685","2020-10-21","18:00:00",""
"4348041","7.58","0.0002","10.34","0.0003","10.759","0.0003","82.241","0.001","88.369","0.001","87.154","0.001","834.31","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","jaa18_0m","K2[(C13H9NO8)Ni(H2O)] 2(H2O)","","- C13 H15 K2 N Ni O11 -","- C13 H11 K2 N Ni O11 -","- C26 H22 K4 N2 Ni2 O22 -","2","1","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.71073","MoKα","","0.0306","0.029","","","0.0745","0.0754","","","","","","1.089","","","","has coordinates","232686","2020-10-21","18:00:00",""
"4348042","7.322","0.0002","10.99","0.0003","20.214","0.0006","90","","90","","90","","1626.6","0.08","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","jaa20_0m","K2[(C13H9NO8)Mn(H2O)] H2O","","- C13 H13 K2 Mn N O10 -","- C13 H13 K2 Mn N O10 -","- C52 H52 K8 Mn4 N4 O40 -","4","0.5","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.71073","MoKα","","0.0333","0.0301","","","0.0786","0.0814","","","","","","1.13","","","","has coordinates","232688","2020-10-21","18:00:00",""
"4348043","7.2909","0.0016","10.357","0.002","13.365","0.003","96.831","0.003","91.503","0.003","90.596","0.003","1001.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Na2[(C13H9NO8)Ni(H2O)] 6(H2O)","","- C13 H23 N Na2 Ni O15 -","- C13 H23 N Na2 Ni O15 -","- C26 H46 N2 Na4 Ni2 O30 -","2","1","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.7749","synchrotron","","0.0393","0.0382","","","0.1099","0.1111","","","","","","1.086","","","","has coordinates,has disorder","232690","2020-10-21","18:00:00",""
"4348044","14.7541","0.001","23.2242","0.0017","31.783","0.002","91.799","0.005","101.041","0.004","93.168","0.005","10662.8","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H119 N3 O33 P4 Zn -","- C85 H69 N3 O33 P4 Zn -","- C340 H276 N12 O132 P16 Zn4 -","4","2","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.8856","synchrotron","","0.1708","0.1406","","","0.3514","0.3697","","","","","","1.051","","","","has coordinates,has disorder","251896","2020-10-21","18:00:00",""
"4348045","7.32","0.002","10.894","0.003","20.194","0.006","90","","90","","90","","1610.4","0.8","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","jaa22","K2[(C13H9NO8)Co(H2O)] H2O","","- C13 H13 Co K2 N O10 -","- C13 H13 Co K2 N O10 -","- C52 H52 Co4 K8 N4 O40 -","4","0.5","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.71073","MoKα","","0.0335","0.0289","","","0.0732","0.0769","","","","","","1.049","","","","has coordinates","232694","2020-10-21","18:00:00",""
"4348046","12.0076","0.0005","15.2895","0.0006","29.6396","0.0012","90","","90","","90","","5441.5","0.4","90","2","90","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C58 H64 Cu F3 N2 O7 P2 S -","- C58 H68 Cu F3 N2 O7 P2 S -","- C232 H272 Cu4 F12 N8 O28 P8 S4 -","4","1","","Serin, Spencer C.; Pick, Fraser S.; Dake, Gregory R.; Gates, Derek P.","Copper(I) Complexes of Pyridine-Bridged Phosphaalkene-Oxazoline Pincer Ligands.","Inorganic chemistry","2016","55","13","6670","6678","10.1021/acs.inorgchem.6b00917","","x-ray","0.71073","MoKα","","0.0426","0.0328","","","0.0704","0.0735","","","","","","0.947","","","","has coordinates,has disorder","232696","2020-10-21","18:00:00",""
"4348047","19.6279","0.0013","6.5495","0.0004","12.9494","0.0009","90","","111.225","0.005","90","","1551.76","0.18","90","2","90","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Serin, Spencer C.; Pick, Fraser S.; Dake, Gregory R.; Gates, Derek P.","Copper(I) Complexes of Pyridine-Bridged Phosphaalkene-Oxazoline Pincer Ligands.","Inorganic chemistry","2016","55","13","6670","6678","10.1021/acs.inorgchem.6b00917","","x-ray","0.71073","MoKα","","0.0449","0.0396","","","0.0999","0.1035","","","","","","1.047","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4348048","11.3994","0.0011","11.7624","0.0011","12.2529","0.0012","92.416","0.002","107.396","0.002","104.977","0.002","1501.8","0.3","90","2","90","2","","","","","","","","8","P 1","P 1","1","","","","- C28.99 H30.5 Cu F3 N2.5 O4 P S -","- C28.9885 H30.5 Cu F3 N2.5 O4 P S -","- C57.977 H61 Cu2 F6 N5 O8 P2 S2 -","2","2","","Serin, Spencer C.; Pick, Fraser S.; Dake, Gregory R.; Gates, Derek P.","Copper(I) Complexes of Pyridine-Bridged Phosphaalkene-Oxazoline Pincer Ligands.","Inorganic chemistry","2016","55","13","6670","6678","10.1021/acs.inorgchem.6b00917","","x-ray","0.71073","MoKα","","0.0526","0.04","","","0.0915","0.0977","","","","","","1.043","","","","has coordinates,has disorder","232699","2020-10-21","18:00:00",""
"4348049","8.6564","0.0008","6.4176","0.0006","21.0175","0.0019","90","","99.396","0.002","90","","1151.93","0.18","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H29 N2 O P -","- C27 H29 N2 O P -","- C54 H58 N4 O2 P2 -","2","1","","Serin, Spencer C.; Pick, Fraser S.; Dake, Gregory R.; Gates, Derek P.","Copper(I) Complexes of Pyridine-Bridged Phosphaalkene-Oxazoline Pincer Ligands.","Inorganic chemistry","2016","55","13","6670","6678","10.1021/acs.inorgchem.6b00917","","","0.71073","MoKα","","0.0561","0.0436","","","0.0908","0.0959","","","","","","1.014","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4348050","9.736","0.003","13.57","0.004","13.803","0.005","68.272","0.011","81.975","0.012","75.414","0.013","1637.3","0.9","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H20 As1.83 Fe4 N O14 P1.17 -","- C22 H20 As1.827 Fe4 N O14 P1.173 -","- C44 H40 As3.654 Fe8 N2 O28 P2.346 -","2","1","","Schipper, Desmond E.; Ikhlef, Djamila; Khalal, Samila; Saillard, Jean-Yves; Whitmire, Kenton H.","New Main-Group-Element-Rich nido-Octahedral Cluster System: Synthesis and Characterization of [Et4N][Fe2(CO)6(μ3-As){μ3-EFe(CO)4}2].","Inorganic chemistry","2016","55","13","6679","6684","10.1021/acs.inorgchem.6b00921","","","0.71073","MoKα","","0.0853","0.0473","","","0.09","0.1133","","","","","","1.063","","","","has coordinates","232703","2020-10-21","18:00:00",""
"4348051","9.657","0.006","13.537","0.007","13.882","0.007","68.332","0.018","81.88","0.02","75.443","0.018","1630","1.6","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 As3 Fe4 N O14 -","- C22 H20 As3 Fe4 N O14 -","- C44 H40 As6 Fe8 N2 O28 -","2","1","","Schipper, Desmond E.; Ikhlef, Djamila; Khalal, Samila; Saillard, Jean-Yves; Whitmire, Kenton H.","New Main-Group-Element-Rich nido-Octahedral Cluster System: Synthesis and Characterization of [Et4N][Fe2(CO)6(μ3-As){μ3-EFe(CO)4}2].","Inorganic chemistry","2016","55","13","6679","6684","10.1021/acs.inorgchem.6b00921","","","0.71073","MoKα","","0.1424","0.0872","","","0.2304","0.2935","","","","","","1.116","","","","has coordinates","232703","2020-10-21","18:00:00",""
"4348052","31.9068","0.0005","31.9068","0.0005","31.9068","0.0005","90","","90","","90","","32482.5","0.9","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C84 H84 Cu4 I4 P4 -","- C84 H84 Cu4 I4 P4 -","- C1344 H1344 Cu64 I64 P64 -","16","0.333333","","Yang, Kai; Li, Shi-Li; Zhang, Fu-Qiang; Zhang, Xian-Ming","Simultaneous Luminescent Thermochromism, Vapochromism, Solvatochromism, and Mechanochromism in a C3-Symmetric Cubane [Cu4I4P4] Cluster without Cu-Cu Interaction.","Inorganic chemistry","2016","55","15","7323","7325","10.1021/acs.inorgchem.6b00922","","x-ray","0.71073","MoKα","","0.0859","0.05","","","0.0791","0.0978","","","","","","1.156","","","","has coordinates","232706","2020-10-21","18:00:00",""
"4348053","31.60961","0.00019","31.60961","0.00019","31.60961","0.00019","90","","90","","90","","31583.3","0.3","100.2","0.5","100.2","0.5","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C84 H84 Cu4 I4 P4 -","- C84 H84 Cu4 I4 P4 -","- C1344 H1344 Cu64 I64 P64 -","16","0.333333","","Yang, Kai; Li, Shi-Li; Zhang, Fu-Qiang; Zhang, Xian-Ming","Simultaneous Luminescent Thermochromism, Vapochromism, Solvatochromism, and Mechanochromism in a C3-Symmetric Cubane [Cu4I4P4] Cluster without Cu-Cu Interaction.","Inorganic chemistry","2016","55","15","7323","7325","10.1021/acs.inorgchem.6b00922","","x-ray","1.54184","CuKα","","0.0336","0.032","","","0.0816","0.0836","","","","","","1.051","","","","has coordinates","232708","2020-10-21","18:00:00",""
"4348054","21.54","0.003","10.0582","0.0011","11.1193","0.0013","90","","95.358","0.004","90","","2398.5","0.5","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H41 N5 -","- C25 H41 N5 -","- C100 H164 N20 -","4","1","","Mandal, Soham; Wang, Can; Prajapati, Rajneesh K.; Kösters, Jutta; Verma, Sandeep; Chi, Lifeng; Müller, Jens","Metal-Mediated Assembly of 1,N(6)-Ethenoadenine: From Surfaces to DNA Duplexes.","Inorganic chemistry","2016","55","14","7041","7050","10.1021/acs.inorgchem.6b00927","","","0.71073","MoKα","","0.0617","0.0497","","","0.1385","0.1478","","","","","","1.055","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4348055","11.1992","0.0004","7.8525","0.0003","18.8658","0.0006","90","","90","","90","","1659.09","0.1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H9 N5 -","- C9 H9 N5 -","- C72 H72 N40 -","8","1","","Mandal, Soham; Wang, Can; Prajapati, Rajneesh K.; Kösters, Jutta; Verma, Sandeep; Chi, Lifeng; Müller, Jens","Metal-Mediated Assembly of 1,N(6)-Ethenoadenine: From Surfaces to DNA Duplexes.","Inorganic chemistry","2016","55","14","7041","7050","10.1021/acs.inorgchem.6b00927","","","0.71073","MoKα","","0.0474","0.0407","","","0.106","0.1119","","","","","","1.051","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4348056","5.209","0.0002","17.0597","0.0008","13.314","0.0006","90","","92.038","0.001","90","","1182.39","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Ag2 Cl2 N10 O8 -","- C18 H18 Ag2 Cl2 N10 O8 -","- C36 H36 Ag4 Cl4 N20 O16 -","2","0.5","","Mandal, Soham; Wang, Can; Prajapati, Rajneesh K.; Kösters, Jutta; Verma, Sandeep; Chi, Lifeng; Müller, Jens","Metal-Mediated Assembly of 1,N(6)-Ethenoadenine: From Surfaces to DNA Duplexes.","Inorganic chemistry","2016","55","14","7041","7050","10.1021/acs.inorgchem.6b00927","","","0.71073","MoKα","","0.0294","0.0234","","","0.0493","0.0513","","","","","","1.06","","","","has coordinates","301840","2025-08-20","23:45:02",""
"4348057","6.265","0.005","14.836","0.004","15.297","0.005","90","","90.498","0.005","90","","1421.8","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Ag2 Cl2 N10 O8 -","- C22 H26 Ag2 Cl2 N10 O8 -","- C44 H52 Ag4 Cl4 N20 O16 -","2","0.5","","Mandal, Soham; Wang, Can; Prajapati, Rajneesh K.; Kösters, Jutta; Verma, Sandeep; Chi, Lifeng; Müller, Jens","Metal-Mediated Assembly of 1,N(6)-Ethenoadenine: From Surfaces to DNA Duplexes.","Inorganic chemistry","2016","55","14","7041","7050","10.1021/acs.inorgchem.6b00927","","","0.71069","MoKα","","0.0683","0.0547","","","0.1638","0.1855","","","","","","1.309","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348058","7.3996","0.0003","8.91","0.0004","11.8127","0.0005","104.162","0.0012","103.042","0.0013","99.0491","0.0012","716.81","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Cu2 N12 O14 -","- C20 H28 Cu2 N12 O14 -","- C20 H28 Cu2 N12 O14 -","1","0.5","","Mandal, Soham; Wang, Can; Prajapati, Rajneesh K.; Kösters, Jutta; Verma, Sandeep; Chi, Lifeng; Müller, Jens","Metal-Mediated Assembly of 1,N(6)-Ethenoadenine: From Surfaces to DNA Duplexes.","Inorganic chemistry","2016","55","14","7041","7050","10.1021/acs.inorgchem.6b00927","","","0.71073","MoKα","","0.0343","0.0296","","","0.0777","0.0801","","","","","","1.075","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348059","48.832","0.002","48.832","0.002","8.4834","0.0006","90","","90","","120","","17519","1.6","296","2","296","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C17 H15 K N O12 S2 Sm -","- C14 H6 K O11 S2 Sm -","- C252 H108 K18 O198 S36 Sm18 -","18","1","","Zhou, Li-Juan; Deng, Wei-Hua; Wang, Yu-Ling; Xu, Gang; Yin, Shun-Gao; Liu, Qing-Yan","Lanthanide-Potassium Biphenyl-3,3'-disulfonyl-4,4'-dicarboxylate Frameworks: Gas Sorption, Proton Conductivity, and Luminescent Sensing of Metal Ions.","Inorganic chemistry","2016","55","12","6271","6277","10.1021/acs.inorgchem.6b00928","","x-ray","0.71073","MoKα","","0.036","0.0341","","","0.0961","0.0974","","","","","","1.009","","","","has coordinates","232715","2020-10-21","18:00:00",""
"4348060","48.7999","0.0003","48.7999","0.0003","8.4529","0.0001","90","","90","","120","","17433.1","0.3","296","2","296","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C17 H15 Eu K N O12 S2 -","- C14 H6 Eu K O11 S2 -","- C252 H108 Eu18 K18 O198 S36 -","18","1","","Zhou, Li-Juan; Deng, Wei-Hua; Wang, Yu-Ling; Xu, Gang; Yin, Shun-Gao; Liu, Qing-Yan","Lanthanide-Potassium Biphenyl-3,3'-disulfonyl-4,4'-dicarboxylate Frameworks: Gas Sorption, Proton Conductivity, and Luminescent Sensing of Metal Ions.","Inorganic chemistry","2016","55","12","6271","6277","10.1021/acs.inorgchem.6b00928","","","0.71073","MoKα","","0.0312","0.029","","","0.079","0.0808","","","","","","1.003","","","","has coordinates","232715","2020-10-21","18:00:00",""
"4348061","48.884","0.002","48.884","0.002","8.5632","0.0006","90","","90","","120","","17721.5","1.6","296","2","296","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C17 H15 K N O12 Pr S2 -","- C17 H6 K N O12 Pr S2 -","- C306 H108 K18 N18 O216 Pr18 S36 -","18","1","","Zhou, Li-Juan; Deng, Wei-Hua; Wang, Yu-Ling; Xu, Gang; Yin, Shun-Gao; Liu, Qing-Yan","Lanthanide-Potassium Biphenyl-3,3'-disulfonyl-4,4'-dicarboxylate Frameworks: Gas Sorption, Proton Conductivity, and Luminescent Sensing of Metal Ions.","Inorganic chemistry","2016","55","12","6271","6277","10.1021/acs.inorgchem.6b00928","","","0.71073","MoKα","","0.0358","0.0337","","","0.0912","0.0937","","","","","","1.006","","","","has coordinates","232715","2020-10-21","18:00:00",""
"4348062","11.5033","0.0013","11.7686","0.0012","13.3628","0.0014","86.074","0.004","77.548","0.004","77.848","0.003","1726.4","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","SCU-6","","","- C31 H29 N3 O14 U2 -","- C31 H28 N3 O14 U2 -","- C62 H56 N6 O28 U4 -","2","1","","Bai, Zhuanling; Wang, Yanlong; Li, Yuxiang; Liu, Wei; Chen, Lanhua; Sheng, Daopeng; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","First Cationic Uranyl-Organic Framework with Anion-Exchange Capabilities.","Inorganic chemistry","2016","55","13","6358","6360","10.1021/acs.inorgchem.6b00930","","","0.71073","MoKα","","0.0412","0.0339","","","0.1026","0.112","","","","","","0.804","","","","has coordinates","232717","2020-10-21","18:00:00",""
"4348063","8.3888","0.0004","13.3777","0.0006","15.5382","0.0007","69.176","0.002","77.162","0.002","88.185","0.002","1586.95","0.13","273","2","273","2","","","","","","","","5","P -1","-P 1","2","SCU-7","","","- C30 H28 N3 O10 U -","- C30 H29 N3 O10 U -","- C60 H58 N6 O20 U2 -","2","1","","Bai, Zhuanling; Wang, Yanlong; Li, Yuxiang; Liu, Wei; Chen, Lanhua; Sheng, Daopeng; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","First Cationic Uranyl-Organic Framework with Anion-Exchange Capabilities.","Inorganic chemistry","2016","55","13","6358","6360","10.1021/acs.inorgchem.6b00930","","","0.71073","MoKα","","0.1037","0.0644","","","0.1719","0.1926","","","","","","1.086","","","","has coordinates,has disorder","232717","2020-10-21","18:00:00",""
"4348064","17.146","0.003","6.119","0.0012","12.35","0.003","90","","98.79","0.03","90","","1280.5","0.5","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 N6 -","- C28 H36 N6 -","- C56 H72 N12 -","2","0.5","","Hawes, Chris S.; Hamilton, Sophie E.; Hicks, Jamie; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.","Coordination Chemistry and Structural Dynamics of a Long and Flexible Piperazine-Derived Ligand.","Inorganic chemistry","2016","55","13","6692","6702","10.1021/acs.inorgchem.6b00933","","","0.7108","Synchrotron","","0.0815","0.0626","","","0.1549","0.1656","","","","","","1.085","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348065","22.074","0.004","12.515","0.003","13.367","0.003","90","","116.98","0.03","90","","3290.8","1.5","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cd N6 O4 -","- C36 H40 Cd N6 O4 -","- C144 H160 Cd4 N24 O16 -","4","0.5","","Hawes, Chris S.; Hamilton, Sophie E.; Hicks, Jamie; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.","Coordination Chemistry and Structural Dynamics of a Long and Flexible Piperazine-Derived Ligand.","Inorganic chemistry","2016","55","13","6692","6702","10.1021/acs.inorgchem.6b00933","","","0.7109","Synchrotron","","0.0407","0.0362","","","0.09","0.0929","","","","","","1.056","","","","has coordinates","232720","2020-10-21","18:00:00",""
"4348066","9.305","0.004","10.066","0.002","18.05","0.003","96.719","0.01","92.675","0.014","104.812","0.007","1618.1","0.8","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Co N6 O4 -","- C36 H40 Co N6 O4 -","- C72 H80 Co2 N12 O8 -","2","1","","Hawes, Chris S.; Hamilton, Sophie E.; Hicks, Jamie; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.","Coordination Chemistry and Structural Dynamics of a Long and Flexible Piperazine-Derived Ligand.","Inorganic chemistry","2016","55","13","6692","6702","10.1021/acs.inorgchem.6b00933","","","0.7109","Synchrotron","","0.0613","0.0532","","","0.1353","0.1409","","","","","","1.048","","","","has coordinates","232720","2020-10-21","18:00:00",""
"4348067","9.386","0.002","9.596","0.002","11.148","0.002","74.86","0.006","85.802","0.01","65.05","0.011","878","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H36 Ag2 F6 N6 O6 S2 -","- C30 H36 Ag2 F6 N6 O6 S2 -","- C30 H36 Ag2 F6 N6 O6 S2 -","1","0.5","","Hawes, Chris S.; Hamilton, Sophie E.; Hicks, Jamie; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.","Coordination Chemistry and Structural Dynamics of a Long and Flexible Piperazine-Derived Ligand.","Inorganic chemistry","2016","55","13","6692","6702","10.1021/acs.inorgchem.6b00933","","","0.7109","Synchrotron","","0.0487","0.0398","","","0.1005","0.1063","","","","","","1.04","","","","has coordinates","232720","2020-10-21","18:00:00",""
"4348068","12.282","0.003","22.79","0.005","13.58","0.003","90","","91.87","0.03","90","","3799.1","1.5","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H42 Ag2 B2 F8 N8 -","- C32 H42 Ag2 B2 F8 N8 -","- C128 H168 Ag8 B8 F32 N32 -","4","0.5","","Hawes, Chris S.; Hamilton, Sophie E.; Hicks, Jamie; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.","Coordination Chemistry and Structural Dynamics of a Long and Flexible Piperazine-Derived Ligand.","Inorganic chemistry","2016","55","13","6692","6702","10.1021/acs.inorgchem.6b00933","","","0.7109","Synchrotron","","0.0585","0.0494","","","0.1293","0.1349","","","","","","1.089","","","","has coordinates,has disorder","232720","2020-10-21","18:00:00",""
"4348069","9.733","0.01","22.323","0.007","15.631","0.007","90","","93.89","0.06","90","","3388","4","100","2","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C28 H40 Ag2 B2 F8 N6 O2 -","- C28 H36 Ag2 B2 F8 N6 O2.0001 -","- C112 H144 Ag8 B8 F32 N24 O8.0004 -","4","1","","Hawes, Chris S.; Hamilton, Sophie E.; Hicks, Jamie; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.","Coordination Chemistry and Structural Dynamics of a Long and Flexible Piperazine-Derived Ligand.","Inorganic chemistry","2016","55","13","6692","6702","10.1021/acs.inorgchem.6b00933","","","0.7108","Synchrotron","","0.1079","0.079","","","0.2078","0.231","","","","","","1.045","","","","has coordinates","232720","2020-10-21","18:00:00",""
"4348070","12.975","0.008","23.05","0.002","13.155","0.003","90","","91.819","0.009","90","","3932","3","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 Ag2 B2 F8 N6 O -","- C30 H40 Ag2 B2 F8 N6 O -","- C120 H160 Ag8 B8 F32 N24 O4 -","4","0.5","","Hawes, Chris S.; Hamilton, Sophie E.; Hicks, Jamie; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.","Coordination Chemistry and Structural Dynamics of a Long and Flexible Piperazine-Derived Ligand.","Inorganic chemistry","2016","55","13","6692","6702","10.1021/acs.inorgchem.6b00933","","","0.7109","Synchrotron","","0.0808","0.0567","","","0.152","0.1678","","","","","","1.049","","","","has coordinates,has disorder","232720","2020-10-21","18:00:00",""
"4348071","22.261","0.003","22.261","0.003","32.92","0.007","90","","90","","90","","16314","5","293","2","293","2","","","","","","","","5","I 41","I 4bw","80","","","","- C58 H40 Cd2 N12 O8 -","- C58 H40 Cd2 N12 O8 -","- C464 H320 Cd16 N96 O64 -","8","1","","Liu, Xiao-Jing; Zhang, Ying-Hui; Chang, Ze; Li, Ai-Lin; Tian, Dan; Yao, Zhao-Quan; Jia, Yan-Yuan; Bu, Xian-He","A Water-Stable Metal-Organic Framework with a Double-Helical Structure for Fluorescent Sensing.","Inorganic chemistry","2016","55","15","7326","7328","10.1021/acs.inorgchem.6b00935","","","0.71073","MoKα","","0.0998","0.0621","","","0.1288","0.1424","","","","","","0.992","","","","has coordinates","232722","2020-10-21","18:00:00",""
"4348072","34.705","0.0009","34.705","0.0009","37.9023","0.0012","90","","90","","120","","39534.9","1.9","298","2","298","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C102 H54 N12 O16 Zn7 -","- C102 H54 N12 O16 Zn7 -","- C1224 H648 N144 O192 Zn84 -","12","0.333333","","Gao, Wen-Yang; Tsai, Chen-Yen; Wojtas, Lukasz; Thiounn, Timmy; Lin, Chu-Chieh; Ma, Shengqian","Interpenetrating Metal-Metalloporphyrin Framework for Selective CO2 Uptake and Chemical Transformation of CO2.","Inorganic chemistry","2016","55","15","7291","7294","10.1021/acs.inorgchem.6b00937","","","1.54178","CuKα","","0.1468","0.0998","","","0.2231","0.2403","","","","","","1.015","","","","has coordinates","232723","2020-10-21","18:00:00",""
"4348073","44.3701","0.0008","10.5076","0.0002","9.3747","0.0002","90","","97.469","0.001","90","","4333.62","0.15","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1","","","- C31 H68 Ga3 N4 O20 P4 -","- C31 H68 Ga3 N4 O20 P4 -","- C124 H272 Ga12 N16 O80 P16 -","4","0.5","","Huang, Hui-Lin; Huang, Yu-Ting; Wang, Sue-Lein","A Crystalline Mesolamellar Gallium Phosphate with Zwitterionic-type Templates Exhibiting Green Afterglow Property.","Inorganic chemistry","2016","55","14","6836","6838","10.1021/acs.inorgchem.6b00941","","","0.71073","MoKα","","0.0321","0.0262","","","0.0639","0.0666","","","","","","1.058","","","","has coordinates,has disorder","232725","2020-10-21","18:00:00",""
"4348074","5.41026","0.0002","5.79443","0.00009","10.36215","0.0003","87.4743","0.0024","78.4408","0.0026","89.2386","0.0024","317.946","0.016","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C F3 N O3 P Zr -","- C F3 N O3 P Zr -","- C2 F6 N2 O6 P2 Zr2 -","2","1","","Taddei, Marco; Sassi, Paola; Costantino, Ferdinando; Vivani, Riccardo","Amino-Functionalized Layered Crystalline Zirconium Phosphonates: Synthesis, Crystal Structure, and Spectroscopic Characterization.","Inorganic chemistry","2016","55","12","6278","6285","10.1021/acs.inorgchem.6b00943","powder diffraction","x-ray","1.5405","Cu_Kα~1~","","","","","","","","0.08642","","4.34","","","","","","","has coordinates","232727","2020-10-21","18:00:00",""
"4348075","24.465","0.0005","7.8267","0.00017","12.30605","0.00023","90","","118.589","0.0018","90","","2069.06","0.08","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 N O10 P Zr -","- C4 N O10 P Zr -","- C32 N8 O80 P8 Zr8 -","8","1","","Taddei, Marco; Sassi, Paola; Costantino, Ferdinando; Vivani, Riccardo","Amino-Functionalized Layered Crystalline Zirconium Phosphonates: Synthesis, Crystal Structure, and Spectroscopic Characterization.","Inorganic chemistry","2016","55","12","6278","6285","10.1021/acs.inorgchem.6b00943","powder diffraction","x-ray","1.5406","Cu_Kα~1~","","","","","","","","0.05552","","3.08","","","","","","","has coordinates","232727","2020-10-21","18:00:00",""
"4348076","9.3484","0.0008","5.3938","0.0004","29.5926","0.0012","90","","102.988","0.007","90","","1453.99","0.18","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 Cl2 N2 O6 P2 Zr -","- C4 Cl2 N2 O6 P2 Zr -","- C16 Cl8 N8 O24 P8 Zr4 -","4","1","","Taddei, Marco; Sassi, Paola; Costantino, Ferdinando; Vivani, Riccardo","Amino-Functionalized Layered Crystalline Zirconium Phosphonates: Synthesis, Crystal Structure, and Spectroscopic Characterization.","Inorganic chemistry","2016","55","12","6278","6285","10.1021/acs.inorgchem.6b00943","powder diffraction","x-ray","1.5405","Cu_Kα~1~","","","","","","","","0.12327","","5.25","","","","","","","has coordinates","232727","2020-10-21","18:00:00",""
"4348077","17.244","0.005","10.274","0.003","27.349","0.007","90","","90","","90","","4845","2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H50 Cu3 N10 O18 -","- C39 H50 Cu3 N10 O18 -","- C156 H200 Cu12 N40 O72 -","4","1","","Esteves, Catarina V.; Mateus, Pedro; André, Vânia; Bandeira, Nuno A. G.; Calhorda, Maria José; Ferreira, Liliana P.; Delgado, Rita","Di- versus Trinuclear Copper(II) Cryptate for the Uptake of Dicarboxylate Anions.","Inorganic chemistry","2016","55","14","7051","7060","10.1021/acs.inorgchem.6b00945","","","0.71073","MoKα","","0.0886","0.0537","","","0.1071","0.1195","","","","","","1.024","","","","has coordinates","232729","2020-10-21","18:00:00",""
"4348078","9.8537","0.0006","17.0537","0.0011","27.5549","0.0017","90","","90","","90","","4630.4","0.5","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H29 Cu1.5 N5 O8 -","- C20 H29 Cu1.5 N5 O8 -","- C160 H232 Cu12 N40 O64 -","8","1","","Esteves, Catarina V.; Mateus, Pedro; André, Vânia; Bandeira, Nuno A. G.; Calhorda, Maria José; Ferreira, Liliana P.; Delgado, Rita","Di- versus Trinuclear Copper(II) Cryptate for the Uptake of Dicarboxylate Anions.","Inorganic chemistry","2016","55","14","7051","7060","10.1021/acs.inorgchem.6b00945","","","0.71073","MoKα","","0.077","0.0624","","","0.1364","0.141","","","","","","1.16","","","","has coordinates","232730","2020-10-21","18:00:00",""
"4348079","10.3462","0.0007","12.8993","0.0008","14.8176","0.0009","90","","95.431","0.002","90","","1968.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Bi Fe O6 -","- C17 H23 Bi Fe O6 -","- C68 H92 Bi4 Fe4 O24 -","4","1","","Bendt, Georg; Schiwon, Rafael; Salamon, Soma; Landers, Joachim; Hagemann, Ulrich; Limberg, Christian; Wende, Heiko; Schulz, Stephan","Molecular Design for Tailoring a Single-Source Precursor for Bismuth Ferrite.","Inorganic chemistry","2016","55","15","7542","7549","10.1021/acs.inorgchem.6b00951","","","0.71073","MoKα","","0.0366","0.0229","","","0.0409","0.044","","","","","","1.019","","","","has coordinates","232732","2020-10-21","18:00:00",""
"4348080","18.2526","0.0007","6.5815","0.0002","7.6362","0.0003","90","","90","","90","","917.33","0.06","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Tb -","- C4 H9 N2 O8 Tb -","- C16 H36 N8 O32 Tb4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0217","0.0195","","","0.0419","0.0427","","","","","","1.086","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348081","18.3618","0.0005","6.6117","0.0002","7.6222","0.0002","90","","90","","90","","925.36","0.04","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Tb -","- C4 H9 N2 O8 Tb -","- C16 H36 N8 O32 Tb4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0175","0.0164","","","0.0343","0.0348","","","","","","1.078","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348082","18.2377","0.0005","6.5776","0.0002","7.6098","0.0002","90","","90","","90","","912.87","0.04","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Dy N2 O8 -","- C4 H9 Dy N2 O8 -","- C16 H36 Dy4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0155","0.0148","","","0.0358","0.0363","","","","","","1.062","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348083","18.3308","0.0005","6.5959","0.0002","7.5993","0.0002","90","","90","","90","","918.82","0.04","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Dy N2 O8 -","- C4 H9 Dy N2 O8 -","- C16 H36 Dy4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0186","0.0171","","","0.0376","0.0386","","","","","","1.072","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348084","18.2209","0.0005","6.5751","0.0002","7.585","0.0002","90","","90","","90","","908.72","0.04","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Ho N2 O8 -","- C4 H9 Ho N2 O8 -","- C16 H36 Ho4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0196","0.0185","","","0.0411","0.0417","","","","","","1.083","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348085","18.3001","0.0006","6.5853","0.0002","7.5817","0.0002","90","","90","","90","","913.68","0.05","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Ho N2 O8 -","- C4 H9 Ho N2 O8 -","- C16 H36 Ho4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0221","0.021","","","0.0504","0.0511","","","","","","1.099","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348086","18.1802","0.0005","6.563","0.0002","7.5566","0.0002","90","","90","","90","","901.63","0.04","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Er N2 O8 -","- C4 H9 Er N2 O8 -","- C16 H36 Er4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0206","0.0193","","","0.0423","0.043","","","","","","1.057","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348087","18.264","0.0005","6.5656","0.0002","7.5616","0.0002","90","","90","","90","","906.74","0.04","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Er N2 O8 -","- C4 H9 Er N2 O8 -","- C16 H36 Er4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0209","0.0202","","","0.0484","0.049","","","","","","1.071","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348088","17.9828","0.0005","6.4893","0.0002","7.6123","0.0002","90","","90","","90","","888.32","0.04","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Tm -","- C4 H9 N2 O8 Tm -","- C16 H36 N8 O32 Tm4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0193","0.019","","","0.044","0.0442","","","","","","1.074","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348089","18.1409","0.0005","6.5415","0.0002","7.5452","0.0002","90","","90","","90","","895.38","0.04","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Tm -","- C4 H9 N2 O8 Tm -","- C16 H36 N8 O32 Tm4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.02","0.0187","","","0.0412","0.0421","","","","","","1.069","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348090","18.2293","0.0006","6.5489","0.0002","7.5428","0.0003","90","","90","","90","","900.47","0.05","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Tm -","- C4 H9 N2 O8 Tm -","- C16 H36 N8 O32 Tm4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0285","0.0269","","","0.062","0.0642","","","","","","1.072","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348091","18.2946","0.0005","6.5596","0.0002","7.5503","0.0002","90","","90","","90","","906.08","0.04","375","","375","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Tm -","- C4 H9 N2 O8 Tm -","- C16 H36 N8 O32 Tm4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0221","0.0211","","","0.0482","0.0492","","","","","","1.07","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348092","18.1272","0.0004","6.5391","0.0002","7.5198","0.0002","90","","90","","90","","891.36","0.04","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Yb -","- C4 H9 N2 O8 Yb -","- C16 H36 N8 O32 Yb4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0216","0.0202","","","0.0458","0.0468","","","","","","1.049","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348093","18.2137","0.0004","6.5437","0.0002","7.5326","0.0002","90","","90","","90","","897.77","0.04","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Yb -","- C4 H9 N2 O8 Yb -","- C16 H36 N8 O32 Yb4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0188","0.0171","","","0.0375","0.0383","","","","","","1.132","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348094","18.1048","0.0005","6.5261","0.0002","7.5044","0.0002","90","","90","","90","","886.67","0.04","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Lu N2 O8 -","- C4 H9 Lu N2 O8 -","- C16 H36 Lu4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0216","0.0199","","","0.0441","0.045","","","","","","1.055","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348095","18.1702","0.0005","6.5224","0.0002","7.5141","0.0002","90","","90","","90","","890.52","0.04","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Lu N2 O8 -","- C4 H9 Lu N2 O8 -","- C16 H36 Lu4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0236","0.0215","","","0.0475","0.049","","","","","","1.072","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348096","18.2232","0.0005","6.579","0.0002","7.5847","0.0002","90","","90","","90","","909.33","0.04","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Y -","- C4 H9 N2 O8 Y -","- C16 H36 N8 O32 Y4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0213","0.0189","","","0.041","0.0419","","","","","","1.065","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348097","18.2978","0.0006","6.5808","0.0002","7.584","0.0003","90","","90","","90","","913.22","0.05","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Y -","- C4 H9 N2 O8 Y -","- C16 H36 N8 O32 Y4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.022","0.0194","","","0.0426","0.0436","","","","","","1.063","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348098","10.029","0.0007","12.5614","0.0016","14.747","0.002","99.688","0.003","92.879","0.007","98.748","0.009","1804.5","0.4","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 Co N4 -","- C20 H12 Co N4 -","- C100 H60 Co5 N20 -","5","2.5","","Jentzen, Walter; Shelnutt, John A.; Scheidt, W. Robert","Metalloporphines: Dimers and Trimers.","Inorganic chemistry","2016","55","12","6294","6299","10.1021/acs.inorgchem.6b00956","","","0.71073","MoKα","","0.0504","0.0397","","","0.0955","0.1007","","","","","","1.026","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348099","10.0385","0.0005","12.5993","0.0004","14.775","0.0011","99.691","0.014","92.907","0.004","98.851","0.006","1814.47","0.19","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 Cu N4 -","- C20 H12 Cu N4 -","- C100 H60 Cu5 N20 -","5","2.5","","Jentzen, Walter; Shelnutt, John A.; Scheidt, W. Robert","Metalloporphines: Dimers and Trimers.","Inorganic chemistry","2016","55","12","6294","6299","10.1021/acs.inorgchem.6b00956","","","0.71073","MoKα","","0.1056","0.0713","","","0.1183","0.1307","","","","","","1.083","","","","has coordinates","232738","2020-10-21","18:00:00",""
"4348100","10.1497","0.0008","11.9376","0.0008","12.32","0.0008","90","","101.925","0.005","90","","1460.51","0.18","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Porphinato)platinum(II)","(Porphinato)platinum(II)","","- C20 H12 N4 Pt -","- C20 H12 N4 Pt -","- C80 H48 N16 Pt4 -","4","1","","Jentzen, Walter; Shelnutt, John A.; Scheidt, W. Robert","Metalloporphines: Dimers and Trimers.","Inorganic chemistry","2016","55","12","6294","6299","10.1021/acs.inorgchem.6b00956","","","0.71073","MoKα","","0.0411","0.0361","","","0.083","0.0854","","","","","","1.188","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348101","10.0359","0.001","12.5467","0.0008","14.8377","0.0007","99.853","0.009","93.007","0.004","97.742","0.005","1818.5","0.2","130","2","130","2","","","","","","","","4","P -1","-P 1","2","zinc(II)porphine","","","- C20 H12 N4 Zn -","- C20 H12 N4 Zn -","- C100 H60 N20 Zn5 -","5","2.5","","Jentzen, Walter; Shelnutt, John A.; Scheidt, W. Robert","Metalloporphines: Dimers and Trimers.","Inorganic chemistry","2016","55","12","6294","6299","10.1021/acs.inorgchem.6b00956","","","0.71073","MoKα","","0.0516","0.0383","","","0.0908","0.0967","","","","","","1.052","","","","has coordinates","232738","2020-10-21","18:00:00",""
"4348102","10.0391","0.0007","18.407","0.002","11.8122","0.0009","90","","94.724","0.007","90","","2175.4","0.3","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Zinc porphine","","","- C20 H12 N4 Zn -","- C20 H12 N4 Zn -","- C120 H72 N24 Zn6 -","6","1.5","","Jentzen, Walter; Shelnutt, John A.; Scheidt, W. Robert","Metalloporphines: Dimers and Trimers.","Inorganic chemistry","2016","55","12","6294","6299","10.1021/acs.inorgchem.6b00956","","","0.71073","MoKα","","0.0675","0.0426","","","0.0818","0.0893","","","","","","1.054","","","","has coordinates","232738","2020-10-21","18:00:00",""
"4348103","46.4518","0.0019","16.1574","0.0005","22.0011","0.0008","90","","97.903","0.004","90","","16355.9","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Gd4 H164 Mn6 O194 P4 W30 -","- Gd4 Mn6 O194 P4 W30 -","- Gd16 Mn24 O776 P16 W120 -","4","0.5","","Zhu, Shu-Lan; Xu, Xuan; Ou, Sha; Zhao, Min; He, Wei-Long; Wu, Chuan-De","Assembly of a Metalloporphyrin-Polyoxometalate Hybrid Material for Highly Efficient Activation of Molecular Oxygen.","Inorganic chemistry","2016","55","15","7295","7300","10.1021/acs.inorgchem.6b00971","","","0.71073","MoKα","","0.0947","0.0735","","","0.173","0.189","","","","","","1.184","","","","has coordinates","232740","2020-10-21","18:00:00",""
"4348104","46.1852","0.0018","16.1722","0.0005","21.9613","0.0007","90","","98.088","0.005","90","","16240.1","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Co6 Gd4 H158 O191 P4 W30 -","- Co6 Gd4 O191 P4 W30 -","- Co24 Gd16 O764 P16 W120 -","4","0.5","","Zhu, Shu-Lan; Xu, Xuan; Ou, Sha; Zhao, Min; He, Wei-Long; Wu, Chuan-De","Assembly of a Metalloporphyrin-Polyoxometalate Hybrid Material for Highly Efficient Activation of Molecular Oxygen.","Inorganic chemistry","2016","55","15","7295","7300","10.1021/acs.inorgchem.6b00971","","","0.71073","MoKα","","0.118","0.0885","","","0.2069","0.2226","","","","","","1.282","","","","has coordinates","232741","2020-10-21","18:00:00",""
"4348105","28.6169","0.0006","15.235","0.0004","14.538","0.0003","90","","103.953","0.002","90","","6151.2","0.2","130","0.1","130","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H25 Cl6 N4 O4 Re -","- C25.5 H23 Cl1.5 N4 O4 Re -","- C204 H184 Cl12 N32 O32 Re8 -","8","1","","Hayne, David J.; White, Jonathan M.; McLean, Catriona A.; Villemagne, Victor L.; Barnham, Kevin J.; Donnelly, Paul S.","Synthesis of Oxorhenium(V) and Oxotechnetium(V) Complexes That Bind to Amyloid-β Plaques.","Inorganic chemistry","2016","55","16","7944","7953","10.1021/acs.inorgchem.6b00972","","","1.5418","CuKα","","0.0533","0.0426","","","0.1051","0.1143","","","","","","1.035","","","","has coordinates,has disorder","232743","2020-10-21","18:00:00",""
"4348106","7.5323","0.0002","18.7137","0.0004","10.371","0.0003","90","","111.091","0.003","90","","1363.94","0.07","130","0.1","130","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N3 O4 Re -","- C15 H12 N3 O4 Re -","- C60 H48 N12 O16 Re4 -","4","1","","Hayne, David J.; White, Jonathan M.; McLean, Catriona A.; Villemagne, Victor L.; Barnham, Kevin J.; Donnelly, Paul S.","Synthesis of Oxorhenium(V) and Oxotechnetium(V) Complexes That Bind to Amyloid-β Plaques.","Inorganic chemistry","2016","55","16","7944","7953","10.1021/acs.inorgchem.6b00972","","","0.7107","MoKα","","0.0297","0.0244","","","0.0527","0.055","","","","","","1.075","","","","has coordinates","232744","2020-10-21","18:00:00",""
"4348107","12.4901","0.0004","8.0225","0.0004","13.8963","0.0004","90","","100.626","0.003","90","","1368.56","0.09","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N3 O3 Re -","- C15 H14 N3 O3 Re -","- C60 H56 N12 O12 Re4 -","4","1","","Hayne, David J.; White, Jonathan M.; McLean, Catriona A.; Villemagne, Victor L.; Barnham, Kevin J.; Donnelly, Paul S.","Synthesis of Oxorhenium(V) and Oxotechnetium(V) Complexes That Bind to Amyloid-β Plaques.","Inorganic chemistry","2016","55","16","7944","7953","10.1021/acs.inorgchem.6b00972","","","0.7107","MoKα","","0.0344","0.0272","","","0.0558","0.059","","","","","","1.059","","","","has coordinates","232746","2020-10-21","18:00:00",""
"4348108","14.5614","0.0004","14.5614","0.0004","14.5614","0.0004","90","","90","","90","","3087.52","0.15","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C12 H24 Ag8 I8 N8 -","- C12 H24 Ag8 I8 N8 -","- C48 H96 Ag32 I32 N32 -","4","0.0208333","","Zhang, Ren-Chun; Wang, Jun-Jie; Zhang, Jing-Chao; Wang, Meng-Qi; Sun, Min; Ding, Feng; Zhang, Dao-Jun; An, Yong-Lin","Coordination-Induced Syntheses of Two Hybrid Framework Iodides: A Thermochromic Luminescent Thermometer.","Inorganic chemistry","2016","55","15","7556","7563","10.1021/acs.inorgchem.6b00973","","","0.71073","MoKα","","0.0873","0.0855","","","0.256","0.269","","","","","","1.043","","","","has coordinates","232748","2020-10-21","18:00:00",""
"4348109","14.5022","0.0001","14.5022","0.0001","14.5022","0.0001","90","","90","","90","","3050.01","0.04","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C24 H48 Ag16 I12 N16 -","- C24 H48 Ag16 I12 N16 -","- C48 H96 Ag32 I24 N32 -","2","0.0104167","","Zhang, Ren-Chun; Wang, Jun-Jie; Zhang, Jing-Chao; Wang, Meng-Qi; Sun, Min; Ding, Feng; Zhang, Dao-Jun; An, Yong-Lin","Coordination-Induced Syntheses of Two Hybrid Framework Iodides: A Thermochromic Luminescent Thermometer.","Inorganic chemistry","2016","55","15","7556","7563","10.1021/acs.inorgchem.6b00973","","","0.71073","MoKα","","0.0593","0.0549","","","0.15865","0.17632","","","","","","1.009","","","","has coordinates","232749","2020-10-21","18:00:00",""
"4348110","13.2321","0.0005","13.2321","0.0005","13.2321","0.0005","90","","90","","90","","2316.79","0.15","296","2","296","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- C12 H24 Ag4 I4 N8 -","- C12 H24 Ag4 I4 N8 -","- C48 H96 Ag16 I16 N32 -","4","0.0416667","","Zhang, Ren-Chun; Wang, Jun-Jie; Zhang, Jing-Chao; Wang, Meng-Qi; Sun, Min; Ding, Feng; Zhang, Dao-Jun; An, Yong-Lin","Coordination-Induced Syntheses of Two Hybrid Framework Iodides: A Thermochromic Luminescent Thermometer.","Inorganic chemistry","2016","55","15","7556","7563","10.1021/acs.inorgchem.6b00973","","","0.71073","MoKα","","0.009","0.009","","","0.0263","0.0263","","","","","","1.02","","","","has coordinates","232751","2020-10-21","18:00:00",""
"4348111","13.2527","0.0004","13.2527","0.0004","13.2527","0.0004","90","","90","","90","","2327.63","0.12","296","2","296","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- C12 H24 Ag4 I4 N8 -","- C12 H24 Ag4 I4 N8 -","- C48 H96 Ag16 I16 N32 -","4","0.0416667","","Zhang, Ren-Chun; Wang, Jun-Jie; Zhang, Jing-Chao; Wang, Meng-Qi; Sun, Min; Ding, Feng; Zhang, Dao-Jun; An, Yong-Lin","Coordination-Induced Syntheses of Two Hybrid Framework Iodides: A Thermochromic Luminescent Thermometer.","Inorganic chemistry","2016","55","15","7556","7563","10.1021/acs.inorgchem.6b00973","","","0.71073","MoKα","","0.0092","0.0092","","","0.025","0.025","","","","","","1.047","","","","has coordinates","232752","2020-10-21","18:00:00",""
"4348112","13.2935","0.0001","13.2935","0.0001","13.2935","0.0001","90","","90","","90","","2349.19","0.03","296","2","296","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- C12 H24 Ag4 I4 N8 -","- C12 H24 Ag4 I4 N8 -","- C48 H96 Ag16 I16 N32 -","4","0.0416667","","Zhang, Ren-Chun; Wang, Jun-Jie; Zhang, Jing-Chao; Wang, Meng-Qi; Sun, Min; Ding, Feng; Zhang, Dao-Jun; An, Yong-Lin","Coordination-Induced Syntheses of Two Hybrid Framework Iodides: A Thermochromic Luminescent Thermometer.","Inorganic chemistry","2016","55","15","7556","7563","10.1021/acs.inorgchem.6b00973","","","0.71073","MoKα","","0.0097","0.0097","","","0.0254","0.0254","","","","","","1.059","","","","has coordinates","232754","2020-10-21","18:00:00",""
"4348113","12.3866","0.001","27.373","0.002","18.5603","0.0016","90","","90","","90","","6293","0.9","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C66 H48 N11 O6 Zn2 -","- C66 H48 N11 O6 Zn2 -","- C264 H192 N44 O24 Zn8 -","4","0.5","","Hua, Carol; Baldansuren, Amgalanbaatar; Tuna, Floriana; Collison, David; D'Alessandro, Deanna M","In Situ Spectroelectrochemical Investigations of the Redox-Active Tris[4-(pyridin-4-yl)phenyl]amine Ligand and a Zn(2+) Coordination Framework.","Inorganic chemistry","2016","55","15","7270","7280","10.1021/acs.inorgchem.6b00981","","","0.71073","MoKα","","0.1054","0.0859","","","0.2522","0.2625","","","","","","1.081","","","","has coordinates","232755","2020-10-21","18:00:00",""
"4348114","12.3866","0.001","27.373","0.002","18.5603","0.0016","90","","90","","90","","6293","0.9","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C69 H48 N11 O9 Zn2 -","- C69 H48 N11 O9 Zn2 -","- C276 H192 N44 O36 Zn8 -","4","0.5","","Hua, Carol; Baldansuren, Amgalanbaatar; Tuna, Floriana; Collison, David; D'Alessandro, Deanna M","In Situ Spectroelectrochemical Investigations of the Redox-Active Tris[4-(pyridin-4-yl)phenyl]amine Ligand and a Zn(2+) Coordination Framework.","Inorganic chemistry","2016","55","15","7270","7280","10.1021/acs.inorgchem.6b00981","","","0.71073","MoKα","","0.1228","0.0983","","","0.2952","0.3161","","","","","","1.051","","","","has coordinates","232756","2020-10-21","18:00:00",""
"4348115","12.3866","0.001","27.373","0.002","18.5603","0.0016","90","","90","","90","","6293","0.9","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C140 H96 N22 O19 Zn4 -","- C140 H96 N22 O19 Zn4 -","- C280 H192 N44 O38 Zn8 -","2","0.25","","Hua, Carol; Baldansuren, Amgalanbaatar; Tuna, Floriana; Collison, David; D'Alessandro, Deanna M","In Situ Spectroelectrochemical Investigations of the Redox-Active Tris[4-(pyridin-4-yl)phenyl]amine Ligand and a Zn(2+) Coordination Framework.","Inorganic chemistry","2016","55","15","7270","7280","10.1021/acs.inorgchem.6b00981","","","0.71073","MoKα","","0.0944","0.0737","","","0.2147","0.2293","","","","","","1.078","","","","has coordinates","232758","2020-10-21","18:00:00",""
"4348116","13.102","0.002","13.102","0.002","49.573","0.016","90","","90","","120","","7370","3","173.15","","173.15","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C33 I3 O11 Ti3 -","- C33.0002 I3 O11 Ti3 -","- C198.001 I18 O66 Ti18 -","6","0.166667","","Hou, Jie; Hu, Junyi; Sun, Qing; Zhang, Guanyun; Tung, Chen-Ho; Wang, Yifeng","A Post-Functionalizable Iso-Polyoxotitanate Cage Cluster.","Inorganic chemistry","2016","55","14","7075","7078","10.1021/acs.inorgchem.6b00982","","","0.71073","MoKα","","0.1395","0.1035","","","0.3112","0.3512","","","","","","1.078","","","","has coordinates","232762","2020-10-21","18:00:00",""
"4348117","19.322","0.007","26.242","0.01","31.425","0.012","95.039","0.004","90.2","0.004","107.814","0.004","15104","10","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C176 H360 I8 O112 Ti44 -","- C176 H360 I7.9999 O112 Ti44 -","- C352 H720 I15.9998 O224 Ti88 -","2","1","","Hou, Jie; Hu, Junyi; Sun, Qing; Zhang, Guanyun; Tung, Chen-Ho; Wang, Yifeng","A Post-Functionalizable Iso-Polyoxotitanate Cage Cluster.","Inorganic chemistry","2016","55","14","7075","7078","10.1021/acs.inorgchem.6b00982","","","0.71073","MoKα","","0.2647","0.1486","","","0.3372","0.4092","","","","","","1.072","","","","has coordinates,has disorder","232763","2020-10-21","18:00:00",""
"4348118","15.0141","0.0014","51.767","0.005","38.161","0.004","90","","97.72","0.001","90","","29391","5","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C162 H378 I18 O96 Ti36 -","- C162 H378 I18 O96 Ti36 -","- C648 H1512 I72 O384 Ti144 -","4","1","","Hou, Jie; Hu, Junyi; Sun, Qing; Zhang, Guanyun; Tung, Chen-Ho; Wang, Yifeng","A Post-Functionalizable Iso-Polyoxotitanate Cage Cluster.","Inorganic chemistry","2016","55","14","7075","7078","10.1021/acs.inorgchem.6b00982","","","0.71073","MoKα","","0.2447","0.0971","","","0.2064","0.2687","","","","","","1.024","","","","has coordinates,has disorder","232765","2020-10-21","18:00:00",""
"4348119","28.2087","0.0007","17.5165","0.0005","27.5141","0.0007","90","","100.61","0.001","90","","13362.8","0.6","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H161 I4 O55 Ti22 -","- C69 H161 I4 O55 Ti22 -","- C276 H644 I16 O220 Ti88 -","4","1","","Hou, Jie; Hu, Junyi; Sun, Qing; Zhang, Guanyun; Tung, Chen-Ho; Wang, Yifeng","A Post-Functionalizable Iso-Polyoxotitanate Cage Cluster.","Inorganic chemistry","2016","55","14","7075","7078","10.1021/acs.inorgchem.6b00982","","","0.71073","MoKα","","0.0845","0.0576","","","0.1463","0.1634","","","","","","1.058","","","","has coordinates,has disorder","232766","2020-10-21","18:00:00",""
"4348120","18.3241","0.001","30.6429","0.0018","30.9343","0.0018","90","","95.403","0.003","90","","17292.5","1.7","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C102 H217 I4.05 O69 Ti22 -","- C102 H217 I4.05 O69 Ti22 -","- C408 H868 I16.2 O276 Ti88 -","4","1","","Hou, Jie; Hu, Junyi; Sun, Qing; Zhang, Guanyun; Tung, Chen-Ho; Wang, Yifeng","A Post-Functionalizable Iso-Polyoxotitanate Cage Cluster.","Inorganic chemistry","2016","55","14","7075","7078","10.1021/acs.inorgchem.6b00982","","","0.71073","MoKα","","0.161","0.0852","","","0.186","0.232","","","","","","1.114","","","","has coordinates,has disorder","232768","2020-10-21","18:00:00",""
"4348121","8.5172","0.0009","12.7393","0.0014","13.2237","0.0015","79.896","0.006","78.303","0.006","70.711","0.005","1317","0.3","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H25 B N6 O -","- C34 H25 B N6 O -","- C68 H50 B2 N12 O2 -","2","1","","Rhoda, Hannah M.; Kayser, Mathew P.; Wang, Yefeng; Nazarenko, Alexander Y.; Belosludov, Rodion V.; Kiprof, Paul; Blank, David A.; Nemykin, Victor N.","Tuning Up an Electronic Structure of the Subphthalocyanine Derivatives toward Electron-Transfer Process in Noncovalent Complexes with C<sub>60</sub> and C<sub>70</sub> Fullerenes: Experimental and Theoretical Studies.","Inorganic chemistry","2016","55","19","9549","9563","10.1021/acs.inorgchem.6b00992","","","0.71075","MoKα","","0.1862","0.0881","","0.2405","0.1467","0.2405","","","","","","1.0084","","","","has coordinates","232770","2020-10-21","18:00:00",""
"4348122","21.6424","0.0007","21.6424","0.0007","19.4859","0.0013","90","","90","","120","","7904.3","0.6","123","","123","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H36 B Cl N6 S6 -","- C60 H36 B Cl N6 S6 -","- C360 H216 B6 Cl6 N36 S36 -","6","0.333333","","Rhoda, Hannah M.; Kayser, Mathew P.; Wang, Yefeng; Nazarenko, Alexander Y.; Belosludov, Rodion V.; Kiprof, Paul; Blank, David A.; Nemykin, Victor N.","Tuning Up an Electronic Structure of the Subphthalocyanine Derivatives toward Electron-Transfer Process in Noncovalent Complexes with C<sub>60</sub> and C<sub>70</sub> Fullerenes: Experimental and Theoretical Studies.","Inorganic chemistry","2016","55","19","9549","9563","10.1021/acs.inorgchem.6b00992","","","1.5418","CuKα","","0.1218","0.0695","","0.169","0.1207","0.169","","","","","","0.9016","","","","has coordinates","232770","2020-10-21","18:00:00",""
"4348123","10.1957","0.0009","10.8063","0.0011","18.5286","0.0017","93.997","0.005","99.768","0.005","102.005","0.006","1956.1","0.3","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C72 H8 Cl4 -","- C72 H8 Cl4 -","- C144 H16 Cl8 -","2","1","","Rhoda, Hannah M.; Kayser, Mathew P.; Wang, Yefeng; Nazarenko, Alexander Y.; Belosludov, Rodion V.; Kiprof, Paul; Blank, David A.; Nemykin, Victor N.","Tuning Up an Electronic Structure of the Subphthalocyanine Derivatives toward Electron-Transfer Process in Noncovalent Complexes with C<sub>60</sub> and C<sub>70</sub> Fullerenes: Experimental and Theoretical Studies.","Inorganic chemistry","2016","55","19","9549","9563","10.1021/acs.inorgchem.6b00992","","","1.54187","CuKα","","0.0855","0.0717","","0.1375","0.1289","0.1375","","","","","","0.9972","","","","has coordinates","232770","2020-10-21","18:00:00",""
"4348124","25.56","0.007","25.56","0.007","39.513","0.005","90","","90","","120","","22356","9","123","","123","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C852 H72 B2 Cl2 N12 S12 -","- C851.536 H72 B2 Cl2 N12 S12 -","- C1703.07 H144 B4 Cl4 N24 S24 -","2","0.166667","","Rhoda, Hannah M.; Kayser, Mathew P.; Wang, Yefeng; Nazarenko, Alexander Y.; Belosludov, Rodion V.; Kiprof, Paul; Blank, David A.; Nemykin, Victor N.","Tuning Up an Electronic Structure of the Subphthalocyanine Derivatives toward Electron-Transfer Process in Noncovalent Complexes with C<sub>60</sub> and C<sub>70</sub> Fullerenes: Experimental and Theoretical Studies.","Inorganic chemistry","2016","55","19","9549","9563","10.1021/acs.inorgchem.6b00992","","","0.71073","MoKα","","0.2626","0.199","","","0.5096","0.548","","","","","","2.035","","","","has coordinates,has disorder","232770","2020-10-21","18:00:00",""
"4348125","10.0013","0.001","4.6768","0.0004","18.6577","0.0018","90","","97.196","0.003","90","","865.82","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 Ag I N2 -","- C6 H9 Ag I N2 -","- C24 H36 Ag4 I4 N8 -","4","1","","Yang, Dandan; Xu, Wenlong; Cao, Xiaowei; Zheng, Shaojun; He, Jiangang; Ju, Qiang; Fang, Zhenlan; Huang, Wei","Two Silver Coordination Network Compounds with Colorful Photoluminescence.","Inorganic chemistry","2016","55","16","7954","7961","10.1021/acs.inorgchem.6b00999","","","0.71073","MoKα","","0.0382","0.0342","","","0.087","0.0898","","","","","","1.077","","","","has coordinates","232772","2020-10-21","18:00:00",""
"4348126","9.9232","0.0007","4.6498","0.0003","18.4152","0.0012","90","","96.797","0.002","90","","843.72","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 Ag I N2 -","- C6 H9 Ag I N2 -","- C24 H36 Ag4 I4 N8 -","4","1","","Yang, Dandan; Xu, Wenlong; Cao, Xiaowei; Zheng, Shaojun; He, Jiangang; Ju, Qiang; Fang, Zhenlan; Huang, Wei","Two Silver Coordination Network Compounds with Colorful Photoluminescence.","Inorganic chemistry","2016","55","16","7954","7961","10.1021/acs.inorgchem.6b00999","","","0.71073","MoKα","","0.0351","0.0337","","","0.1087","0.1105","","","","","","1.003","","","","has coordinates","232773","2020-10-21","18:00:00",""
"4348127","9.6289","0.0014","4.5658","0.0007","17.937","0.003","90","","93.883","0.003","90","","786.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 Ag Br N2 -","- C6 H9 Ag Br N2 -","- C24 H36 Ag4 Br4 N8 -","4","1","","Yang, Dandan; Xu, Wenlong; Cao, Xiaowei; Zheng, Shaojun; He, Jiangang; Ju, Qiang; Fang, Zhenlan; Huang, Wei","Two Silver Coordination Network Compounds with Colorful Photoluminescence.","Inorganic chemistry","2016","55","16","7954","7961","10.1021/acs.inorgchem.6b00999","","","0.71073","MoKα","","0.0332","0.0253","","","0.0556","0.0585","","","","","","1.047","","","","has coordinates","232775","2020-10-21","18:00:00",""
"4348128","9.726","0.004","4.6186","0.0018","18.288","0.007","90","","94.679","0.009","90","","818.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 Ag Br N2 -","- C6 H9 Ag Br N2 -","- C24 H36 Ag4 Br4 N8 -","4","1","","Yang, Dandan; Xu, Wenlong; Cao, Xiaowei; Zheng, Shaojun; He, Jiangang; Ju, Qiang; Fang, Zhenlan; Huang, Wei","Two Silver Coordination Network Compounds with Colorful Photoluminescence.","Inorganic chemistry","2016","55","16","7954","7961","10.1021/acs.inorgchem.6b00999","","","0.71073","MoKα","","0.0557","0.0372","","","0.0841","0.093","","","","","","1.025","","","","has coordinates","232776","2020-10-21","18:00:00",""
"4348129","10.0073","0.0019","15.0465","0.0018","13.023","0.002","90","","91.581","0.015","90","","1960.2","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","oxovandium {(Z)-N-((E)-1-(2-oxidonaphthalen-1-yl)ethylidene)benzohydrazonate} ethanoate","","- C21 H19 N2 O4 V -","- C21 H19 N2 O4 V -","- C84 H76 N8 O16 V4 -","4","1","","Dash, Subhashree P.; Roy, Satabdi; Mohanty, Monalisa; Carvalho, M Fernanda N N; Kuznetsov, Maxim L.; Pessoa, João Costa; Kumar, Amit; Patil, Yogesh P.; Crochet, Aurélien; Dinda, Rupam","Versatile Reactivity and Theoretical Evaluation of Mono- and Dinuclear Oxidovanadium(V) Compounds of Aroylazines: Electrogeneration of Mixed-Valence Divanadium(IV,V) Complexes.","Inorganic chemistry","2016","55","17","8407","8421","10.1021/acs.inorgchem.6b01001","","x-ray","0.71073","MoKα","","0.0512","0.0382","","","0.1034","0.1091","","","","","","1.043","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348130","7.5992","0.0007","12.7639","0.0011","19.5684","0.0017","90","","90.373","0.002","90","","1898","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","oxovanadium (Z)-2-amino-N-((E)-(2-oxidonaphthalen-1-yl)methylene)benzohydrazonate ethanoate","","- C20 H18 N3 O4 V -","- C20 H18 N3 O4 V -","- C80 H72 N12 O16 V4 -","4","1","","Dash, Subhashree P.; Roy, Satabdi; Mohanty, Monalisa; Carvalho, M Fernanda N N; Kuznetsov, Maxim L.; Pessoa, João Costa; Kumar, Amit; Patil, Yogesh P.; Crochet, Aurélien; Dinda, Rupam","Versatile Reactivity and Theoretical Evaluation of Mono- and Dinuclear Oxidovanadium(V) Compounds of Aroylazines: Electrogeneration of Mixed-Valence Divanadium(IV,V) Complexes.","Inorganic chemistry","2016","55","17","8407","8421","10.1021/acs.inorgchem.6b01001","","","0.71073","MoKα","","0.1668","0.0939","","","0.2142","0.2584","","","","","","1.045","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348131","10.305","0.002","10.502","0.002","18.603","0.003","90","","92.716","0.016","90","","2011","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N3 O4 V -","- C21 H20 N3 O4 V -","- C84 H80 N12 O16 V4 -","4","1","","Dash, Subhashree P.; Roy, Satabdi; Mohanty, Monalisa; Carvalho, M Fernanda N N; Kuznetsov, Maxim L.; Pessoa, João Costa; Kumar, Amit; Patil, Yogesh P.; Crochet, Aurélien; Dinda, Rupam","Versatile Reactivity and Theoretical Evaluation of Mono- and Dinuclear Oxidovanadium(V) Compounds of Aroylazines: Electrogeneration of Mixed-Valence Divanadium(IV,V) Complexes.","Inorganic chemistry","2016","55","17","8407","8421","10.1021/acs.inorgchem.6b01001","","x-ray","0.71073","MoKα","","0.1224","0.0497","","","0.1164","0.1521","","","","","","0.92","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348132","20.76973","0.00031","20.76973","","20.76973","","90","","90","","90","","8959.68","0.13","298","1","298","1","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C24 N3 O16 Zr3 -","- C24 N3 O16 Zr3 -","- C192 N24 O128 Zr24 -","8","0.0416667","","Banerjee, Debasis; Xu, Wenqian; Nie, Zimin; Johnson, Lewis E. V.; Coghlan, Campbell; Sushko, Maria L.; Kim, Dongsang; Schweiger, Michael J.; Kruger, Albert A.; Doonan, Christian J.; Thallapally, Praveen K.","Zirconium-Based Metal-Organic Framework for Removal of Perrhenate from Water.","Inorganic chemistry","2016","55","17","8241","8243","10.1021/acs.inorgchem.6b01004","powder diffraction","","0.72768","Synchrotron","","","","","","","","","","5.25","","","","","","","has coordinates","232781","2020-10-21","18:00:00",""
"4348133","20.782","0.0009","20.782","","20.782","","90","","90","","90","","8975.6","0.4","298","1","298","1","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C24 N3 O16 Re0.4 Zr3 -","- C24 N3 O16 Re0.4 Zr3 -","- C192 N24 O128 Re3.2 Zr24 -","8","0.0416667","","Banerjee, Debasis; Xu, Wenqian; Nie, Zimin; Johnson, Lewis E. V.; Coghlan, Campbell; Sushko, Maria L.; Kim, Dongsang; Schweiger, Michael J.; Kruger, Albert A.; Doonan, Christian J.; Thallapally, Praveen K.","Zirconium-Based Metal-Organic Framework for Removal of Perrhenate from Water.","Inorganic chemistry","2016","55","17","8241","8243","10.1021/acs.inorgchem.6b01004","powder diffraction","","0.72768","Synchrotron","","","","","","","","","","14.17","","","","","","","has coordinates","232782","2020-10-21","18:00:00",""
"4348134","13.2873","0.0007","15.6841","0.0008","23.4478","0.0013","89.565","0.001","74.32","0.001","83.072","0.001","4668.7","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C72 H239 La N24 O97 Pd12 S24 -","- C72 H141 La N24 O48 Pd12 S24 -","- C72 H141 La N24 O48 Pd12 S24 -","1","1","","Lin, Zheng-Guo; Fan, Lin-Yuan; Kondinski, Aleksandar; Vankova, Nina; Heine, Thomas; Chen, Bao-Kuan; Haider, Ali; Wang, Bo; Kortz, Ulrich; Hu, Chang-Wen","Chiral Dodecanuclear Palladium(II) Thio Cluster: Synthesis, Structure, and Formation Mechanism Explored by ESI-MS and DFT Calculations.","Inorganic chemistry","2016","55","16","7811","7813","10.1021/acs.inorgchem.6b01005","","","0.71073","MoKα","","0.0919","0.0835","","","0.2474","0.2671","","","","","","1.073","","","","has coordinates","232783","2020-10-21","18:00:00",""
"4348135","11.152","0.0002","11.152","0.0002","26.483","0.0004","90","","90","","120","","2852.35","0.08","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C18 H13 Er N4 O9 -","- C18 H13 Er N4 O9 -","- C108 H78 Er6 N24 O54 -","6","1","","Mihalcea, Ionut; Perfetti, Mauro; Pineider, Francesco; Tesi, Lorenzo; Mereacre, Valeriu; Wilhelm, Fabrice; Rogalev, Andrei; Anson, Christopher E.; Powell, Annie K.; Sessoli, Roberta","Spin Helicity in Chiral Lanthanide Chains.","Inorganic chemistry","2016","55","20","10068","10074","10.1021/acs.inorgchem.6b01010","","","1.54184","Cu-Kα","","0.0181","0.0179","","","0.0434","0.0435","","","","","","1.062","","","","has coordinates","232784","2020-10-21","18:00:00",""
"4348136","11.1664","0.0003","11.1664","0.0003","26.5948","0.0018","90","","90","","120","","2871.8","0.2","100","2","100","2","","","","","","","","6","P 65","P 65","170","","","","- C18 H13 Dy0.12 N4 O9 Y0.88 -","- C18 H13 Dy0.12 N4 O9 Y0.88 -","- C108 H78 Dy0.72 N24 O54 Y5.28 -","6","1","","Mihalcea, Ionut; Perfetti, Mauro; Pineider, Francesco; Tesi, Lorenzo; Mereacre, Valeriu; Wilhelm, Fabrice; Rogalev, Andrei; Anson, Christopher E.; Powell, Annie K.; Sessoli, Roberta","Spin Helicity in Chiral Lanthanide Chains.","Inorganic chemistry","2016","55","20","10068","10074","10.1021/acs.inorgchem.6b01010","","","0.71073","MoKα","","0.0218","0.0207","","","0.0482","0.0486","","","","","","1.039","","","","has coordinates,has disorder","232786","2020-10-21","18:00:00",""
"4348137","9.2721","0.0002","14.5422","0.0002","18.1279","0.0003","66.678","0.002","88.415","0.002","87.74","0.002","2242.65","0.08","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C78 H132 N8 O20 V4 -","- C78 H132 N8 O20 V4 -","- C78 H132 N8 O20 V4 -","1","0.5","","Dragancea, Diana; Talmaci, Natalia; Shova, Sergiu; Novitchi, Ghenadie; Darvasiová, Denisa; Rapta, Peter; Breza, Martin; Galanski, Markus; Kož\?íšek, Jozef; Martins, Nuno M. R.; Martins, Luísa M D R S; Pombeiro, Armando J. L.; Arion, Vladimir B.","Vanadium(V) Complexes with Substituted 1,5-bis(2-hydroxybenzaldehyde)carbohydrazones and Their Use As Catalyst Precursors in Oxidation of Cyclohexane.","Inorganic chemistry","2016","55","18","9187","9203","10.1021/acs.inorgchem.6b01011","","","1.54186","CuKα","","0.0591","0.0546","","","0.1537","0.1576","","","","","","1.093","","","","has coordinates,has disorder","232787","2020-10-21","18:00:00",""
"4348138","9.1328","0.0007","10.9497","0.0008","11.179","0.0007","65.847","0.007","84.709","0.006","74.717","0.007","983.82","0.14","173","0.14","173","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 N5 O8 V2 -","- C16 H19 N5 O8 V2 -","- C32 H38 N10 O16 V4 -","2","1","","Dragancea, Diana; Talmaci, Natalia; Shova, Sergiu; Novitchi, Ghenadie; Darvasiová, Denisa; Rapta, Peter; Breza, Martin; Galanski, Markus; Kož\?íšek, Jozef; Martins, Nuno M. R.; Martins, Luísa M D R S; Pombeiro, Armando J. L.; Arion, Vladimir B.","Vanadium(V) Complexes with Substituted 1,5-bis(2-hydroxybenzaldehyde)carbohydrazones and Their Use As Catalyst Precursors in Oxidation of Cyclohexane.","Inorganic chemistry","2016","55","18","9187","9203","10.1021/acs.inorgchem.6b01011","","","0.71073","MoKα","","0.0803","0.0519","","","0.0839","0.0963","","","","","","1.022","","","","has coordinates","232788","2020-10-21","18:00:00",""
"4348139","12.4787","0.0015","14.6106","0.0015","15.592","0.002","104.222","0.004","91.701","0.003","103.923","0.004","2662.7","0.5","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C36.3 H39.2 Cl8 N8 O19.3 V4 -","- C36.3 H39.2 Cl8 N8 O19.3 V4 -","- C72.6 H78.4 Cl16 N16 O38.6 V8 -","2","1","","Dragancea, Diana; Talmaci, Natalia; Shova, Sergiu; Novitchi, Ghenadie; Darvasiová, Denisa; Rapta, Peter; Breza, Martin; Galanski, Markus; Kož\?íšek, Jozef; Martins, Nuno M. R.; Martins, Luísa M D R S; Pombeiro, Armando J. L.; Arion, Vladimir B.","Vanadium(V) Complexes with Substituted 1,5-bis(2-hydroxybenzaldehyde)carbohydrazones and Their Use As Catalyst Precursors in Oxidation of Cyclohexane.","Inorganic chemistry","2016","55","18","9187","9203","10.1021/acs.inorgchem.6b01011","","","0.71073","MoKα","","0.0886","0.0608","","","0.1431","0.1599","","","","","","1.023","","","","has coordinates,has disorder","232789","2020-10-21","18:00:00",""
"4348140","12.283","0.0004","28.0101","0.0008","13.3793","0.0004","90","","111.917","0.002","90","","4270.4","0.2","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H40 N8 O17 V4 -","- C35 H40 N8 O17 V4 -","- C140 H160 N32 O68 V16 -","4","1","","Dragancea, Diana; Talmaci, Natalia; Shova, Sergiu; Novitchi, Ghenadie; Darvasiová, Denisa; Rapta, Peter; Breza, Martin; Galanski, Markus; Kož\?íšek, Jozef; Martins, Nuno M. R.; Martins, Luísa M D R S; Pombeiro, Armando J. L.; Arion, Vladimir B.","Vanadium(V) Complexes with Substituted 1,5-bis(2-hydroxybenzaldehyde)carbohydrazones and Their Use As Catalyst Precursors in Oxidation of Cyclohexane.","Inorganic chemistry","2016","55","18","9187","9203","10.1021/acs.inorgchem.6b01011","","","0.71069","MoKα","","0.1202","0.0484","","","0.0568","0.0673","","","","","","0.807","","","","has coordinates","232790","2020-10-21","18:00:00",""
"4348141","12.524","0.001","12.21","0.001","15.74","0.001","90","","100.701","0.001","90","","2365.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Dy N3 O6 -","- C16 H14 Dy N3 O6 -","- C64 H56 Dy4 N12 O24 -","4","1","","Chen, Qi; Li, Jian; Meng, Yin-Shan; Sun, Hao-Ling; Zhang, Yi-Quan; Sun, Jun-Liang; Gao, Song","Tuning Slow Magnetic Relaxation in a Two-Dimensional Dysprosium Layer Compound through Guest Molecules.","Inorganic chemistry","2016","55","16","7980","7987","10.1021/acs.inorgchem.6b01014","","","0.71073","MoKα","","0.0334","0.0261","","","0.0539","0.0558","","","","","","0.94","","","","has coordinates","232791","2020-10-21","18:00:00",""
"4348142","11.8628","0.0008","13.087","0.003","13.6022","0.0008","90","","111.301","0.0007","90","","1967.5","0.5","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 Dy2 N7 O13 -","- C35 Dy2 N7 O13 -","- C70 Dy4 N14 O26 -","2","0.5","","Chen, Qi; Li, Jian; Meng, Yin-Shan; Sun, Hao-Ling; Zhang, Yi-Quan; Sun, Jun-Liang; Gao, Song","Tuning Slow Magnetic Relaxation in a Two-Dimensional Dysprosium Layer Compound through Guest Molecules.","Inorganic chemistry","2016","55","16","7980","7987","10.1021/acs.inorgchem.6b01014","powder diffraction","","1.5418","CuKα","","","","","","","","","0.00778","2.805","","","","","","","has coordinates","232793","2020-10-21","18:00:00",""
"4348143","12.6688","0.0005","13.4002","0.0004","14.0772","0.0005","78.272","0.003","78.541","0.003","84.586","0.003","2289.65","0.14","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H26 Cl5 F6 N7 P Re -","- C40 H26 Cl5 F6 N7 P Re -","- C80 H52 Cl10 F12 N14 P2 Re2 -","2","1","","Ng, Chi-On; Cheng, Shun-Cheung; Chu, Wing-Kin; Tang, Kin-Man; Yiu, Shek-Man; Ko, Chi-Chiu","Luminescent Rhenium(I) Pyridyldiaminocarbene Complexes: Photophysics, Anion-Binding, and CO2-Capturing Properties.","Inorganic chemistry","2016","55","16","7969","7979","10.1021/acs.inorgchem.6b01017","","","1.54178","CuKα","","0.0353","0.0327","","","0.0814","0.0832","","","","","","1.059","","","","has coordinates,has disorder","232794","2020-10-21","18:00:00",""
"4348144","11.6465","0.0011","12.4634","0.0012","17.4211","0.0015","97.016","0.008","104.947","0.008","105.707","0.009","2301.3","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H24 Cl5 F6 N7 P Re S -","- C38 H24 Cl5 F6 N7 P Re S -","- C76 H48 Cl10 F12 N14 P2 Re2 S2 -","2","1","","Ng, Chi-On; Cheng, Shun-Cheung; Chu, Wing-Kin; Tang, Kin-Man; Yiu, Shek-Man; Ko, Chi-Chiu","Luminescent Rhenium(I) Pyridyldiaminocarbene Complexes: Photophysics, Anion-Binding, and CO2-Capturing Properties.","Inorganic chemistry","2016","55","16","7969","7979","10.1021/acs.inorgchem.6b01017","","","0.71073","MoKα","","0.0861","0.0649","","","0.1669","0.1823","","","","","","1.143","","","","has coordinates,has disorder","232794","2020-10-21","18:00:00",""
"4348145","12.3686","0.0002","19.9396","0.0005","24.0236","0.0006","68.848","0.002","82.7157","0.0017","74.5455","0.0018","5322.8","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C52.25 H56 Cl1.5 F6 N7 P Re -","- C52.25 H56 Cl1.5 F6 N7 P Re -","- C209 H224 Cl6 F24 N28 P4 Re4 -","4","2","","Ng, Chi-On; Cheng, Shun-Cheung; Chu, Wing-Kin; Tang, Kin-Man; Yiu, Shek-Man; Ko, Chi-Chiu","Luminescent Rhenium(I) Pyridyldiaminocarbene Complexes: Photophysics, Anion-Binding, and CO2-Capturing Properties.","Inorganic chemistry","2016","55","16","7969","7979","10.1021/acs.inorgchem.6b01017","","","1.54178","CuKα","","0.084","0.0738","","","0.2042","0.2183","","","","","","1.036","","","","has coordinates,has disorder","232794","2020-10-21","18:00:00",""
"4348146","20.17588","0.00014","14.41572","0.0001","23.80992","0.00016","90","","99.9562","0.0006","90","","6820.82","0.08","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H91 F6 N7 P Re -","- C70 H91 F6 N7 P Re -","- C280 H364 F24 N28 P4 Re4 -","4","1","","Ng, Chi-On; Cheng, Shun-Cheung; Chu, Wing-Kin; Tang, Kin-Man; Yiu, Shek-Man; Ko, Chi-Chiu","Luminescent Rhenium(I) Pyridyldiaminocarbene Complexes: Photophysics, Anion-Binding, and CO2-Capturing Properties.","Inorganic chemistry","2016","55","16","7969","7979","10.1021/acs.inorgchem.6b01017","","","1.54178","CuKα","","0.0259","0.0244","","","0.062","0.0629","","","","","","1.125","","","","has coordinates,has disorder","232794","2020-10-21","18:00:00",""
"4348147","34.04","0.005","34.04","0.005","34.04","0.005","90","","90","","90","","39443","10","100","","100","","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C88 H112 Cl4 Dy4 N12 Ni4 O30.66667 -","- C88 H112 Cl4 Dy4 N12 Ni4 O30.6667 -","- C1056 H1344 Cl48 Dy48 N144 Ni48 O368 -","12","0.25","","Biswas, Sourav; Goura, Joydeb; Das, Sourav; Topping, Craig V.; Brambleby, Jamie; Goddard, Paul A.; Chandrasekhar, Vadapalli","Octanuclear Heterobimetallic {Ni4Ln4} Assemblies Possessing Ln4 Square Grid [2 ×2] Motifs: Synthesis, Structure, and Magnetism.","Inorganic chemistry","2016","55","17","8422","8436","10.1021/acs.inorgchem.6b01019","","","0.71069","MoKα","","0.0493","0.036","","","0.0804","0.0853","","","","","","1.061","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4348148","34.0802","0.0016","34.0802","0.0016","34.0802","0.0016","90","","90","","90","","39583","3","100","","100","","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C88 H104 Cl4 N12 Ni4 O40 Tb4 -","- C88 H104 Cl4 N12 Ni4 O40 Tb4 -","- C1056 H1248 Cl48 N144 Ni48 O480 Tb48 -","12","0.25","","Biswas, Sourav; Goura, Joydeb; Das, Sourav; Topping, Craig V.; Brambleby, Jamie; Goddard, Paul A.; Chandrasekhar, Vadapalli","Octanuclear Heterobimetallic {Ni4Ln4} Assemblies Possessing Ln4 Square Grid [2 ×2] Motifs: Synthesis, Structure, and Magnetism.","Inorganic chemistry","2016","55","17","8422","8436","10.1021/acs.inorgchem.6b01019","","","0.71073","MoKα","","0.029","0.0266","","","0.0687","0.0701","","","","","","1.031","","","","has coordinates","232795","2020-10-21","18:00:00",""
"4348149","34.09","0.005","34.09","0.005","34.09","0.005","90","","90","","90","","39617","10","100","","100","","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C92 H108 Cl4 Gd4 N12 Ni4 O47.33333 -","- C92 H108 Cl4 Gd4 N12 Ni4 O47.3333 -","- C1104 H1296 Cl48 Gd48 N144 Ni48 O568 -","12","0.25","","Biswas, Sourav; Goura, Joydeb; Das, Sourav; Topping, Craig V.; Brambleby, Jamie; Goddard, Paul A.; Chandrasekhar, Vadapalli","Octanuclear Heterobimetallic {Ni4Ln4} Assemblies Possessing Ln4 Square Grid [2 ×2] Motifs: Synthesis, Structure, and Magnetism.","Inorganic chemistry","2016","55","17","8422","8436","10.1021/acs.inorgchem.6b01019","","","0.71069","MoKα","","0.0391","0.0338","","","0.0898","0.0938","","","","","","1.066","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348150","34.057","0.005","34.057","0.005","34.057","0.005","90","","90","","90","","39502","10","100","","100","","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C88 H108 Cl4 Ho4 N12 Ni4 O54.66667 -","- C88 H108 Cl4 Ho4 N12 Ni4 O54.6667 -","- C1056 H1296 Cl48 Ho48 N144 Ni48 O656 -","12","0.25","","Biswas, Sourav; Goura, Joydeb; Das, Sourav; Topping, Craig V.; Brambleby, Jamie; Goddard, Paul A.; Chandrasekhar, Vadapalli","Octanuclear Heterobimetallic {Ni4Ln4} Assemblies Possessing Ln4 Square Grid [2 ×2] Motifs: Synthesis, Structure, and Magnetism.","Inorganic chemistry","2016","55","17","8422","8436","10.1021/acs.inorgchem.6b01019","","","0.71069","MoKα","","0.0396","0.0359","","","0.0902","0.092","","","","","","1.072","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348151","12.0793","0.0004","13.574","0.0005","15.0188","0.0006","83.485","0.003","84.65","0.003","86.793","0.003","2433.42","0.16","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C104 H100 Cl4 Mo4 N12 O16 -","- C104 H96 Cl4 Mo4 N12 O16 -","- C104 H96 Cl4 Mo4 N12 O16 -","1","0.5","","Zhu, Guang Yuan; Meng, Miao; Tan, Ying Ning; Xiao, Xuan; Liu, Chun Y.","Electronic Coupling between Two Covalently Bonded Dimolybdenum Units Bridged by a Naphthalene Group.","Inorganic chemistry","2016","55","12","6315","6322","10.1021/acs.inorgchem.6b01021","","x-ray","1.54178","CuKα","","0.0806","0.0595","","","0.1567","0.1731","","","","","","1.036","","","","has coordinates,has disorder","232797","2020-10-21","18:00:00",""
"4348152","12.4999","0.0003","14.1504","0.0005","15.5088","0.0007","105.374","0.003","98.551","0.003","96.329","0.003","2583.19","0.17","173.01","0.1","173.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C104 H102 Cl4 Mo4 N12 O14 S2 -","- C104 H101.2 Cl4 Mo4 N12 O14 S2 -","- C104 H101.2 Cl4 Mo4 N12 O14 S2 -","1","0.5","","Zhu, Guang Yuan; Meng, Miao; Tan, Ying Ning; Xiao, Xuan; Liu, Chun Y.","Electronic Coupling between Two Covalently Bonded Dimolybdenum Units Bridged by a Naphthalene Group.","Inorganic chemistry","2016","55","12","6315","6322","10.1021/acs.inorgchem.6b01021","","","1.54178","CuKα","","0.0687","0.0583","","","0.1558","0.171","","","","","","1.026","","","","has coordinates,has disorder","232797","2020-10-21","18:00:00",""
"4348153","9.6079","0.0004","12.7804","0.0006","20.3393","0.0008","92.208","0.003","99.738","0.003","100.073","0.004","2417.61","0.18","173.01","0.1","173.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C102 H96 Mo4 N12 O12 S4 -","- C106 H96 Mo4 N12 O14 S4 -","- C106 H96 Mo4 N12 O14 S4 -","1","0.5","","Zhu, Guang Yuan; Meng, Miao; Tan, Ying Ning; Xiao, Xuan; Liu, Chun Y.","Electronic Coupling between Two Covalently Bonded Dimolybdenum Units Bridged by a Naphthalene Group.","Inorganic chemistry","2016","55","12","6315","6322","10.1021/acs.inorgchem.6b01021","","x-ray","1.54184","CuKα","","0.0646","0.0519","","","0.1319","0.1461","","","","","","1.039","","","","has coordinates,has disorder","232797","2020-10-21","18:00:00",""
"4348154","5.9904","0.0001","10.3974","0.0003","27.3036","0.0006","92.437","0.002","96.088","0.002","100.467","0.002","1659.54","0.07","100.01","0.1","100","1","","","","","","","","5","P -1","-P 1","2","","11-(4-(4-dimethoxyphenyl)aminophenyl)dipyrido[3,2-a:2',3'-c]phenazine","","- C39 H28 Cl3 N5 O2 -","- C39 H28 Cl3 N5 O2 -","- C78 H56 Cl6 N10 O4 -","2","1","","Larsen, Christopher B.; van der Salm, Holly; Shillito, Georgina E.; Lucas, Nigel T.; Gordon, Keith C.","Tuning the Rainbow: Systematic Modulation of Donor-Acceptor Systems through Donor Substituents and Solvent.","Inorganic chemistry","2016","55","17","8446","8458","10.1021/acs.inorgchem.6b01039","","","1.54184","CuKα","","0.0491","0.0455","","","0.1265","0.1311","","","","","","1.045","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348155","7.4105","0.0002","12.6297","0.0004","17.1588","0.0007","110.283","0.003","94.904","0.003","99.001","0.003","1470.78","0.09","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","5-(4-Trimethylsilylphenyl)benzo[c][1,2,5]thiadiazole","","- C15 H16 N2 S Si -","- C15 H16 N2 S Si -","- C60 H64 N8 S4 Si4 -","4","2","","Larsen, Christopher B.; van der Salm, Holly; Shillito, Georgina E.; Lucas, Nigel T.; Gordon, Keith C.","Tuning the Rainbow: Systematic Modulation of Donor-Acceptor Systems through Donor Substituents and Solvent.","Inorganic chemistry","2016","55","17","8446","8458","10.1021/acs.inorgchem.6b01039","","","1.54184","CuKα","","0.0484","0.044","","","0.1214","0.1269","","","","","","1.05","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348156","11.8966","0.0004","20.0367","0.0007","14.4535","0.0005","90","","95.478","0.001","90","","3429.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H90 I8 Mo6 N2 O12 -","- C44 H90 I8 Mo6 N2 O12 -","- C88 H180 I16 Mo12 N4 O24 -","2","0.5","","Mikhailov, Maxim A.; Brylev, Konstantin A.; Abramov, Pavel A.; Sakuda, Eri; Akagi, Soichiro; Ito, Akitaka; Kitamura, Noboru; Sokolov, Maxim N.","Synthetic Tuning of Redox, Spectroscopic, and Photophysical Properties of {Mo6I8}(4+) Core Cluster Complexes by Terminal Carboxylate Ligands.","Inorganic chemistry","2016","55","17","8437","8445","10.1021/acs.inorgchem.6b01042","","x-ray","0.71073","MoKα","","0.0668","0.0383","","","0.072","0.0823","","","","","","1.013","","","","has coordinates","232800","2020-10-21","18:00:00",""
"4348157","13.4921","0.0007","13.7589","0.0007","21.9131","0.0011","90","","94.388","0.001","90","","4055.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H90 I8 Mo6 N2 O18 -","- C62 H90 I8 Mo6 N2 O18 -","- C124 H180 I16 Mo12 N4 O36 -","2","0.5","","Mikhailov, Maxim A.; Brylev, Konstantin A.; Abramov, Pavel A.; Sakuda, Eri; Akagi, Soichiro; Ito, Akitaka; Kitamura, Noboru; Sokolov, Maxim N.","Synthetic Tuning of Redox, Spectroscopic, and Photophysical Properties of {Mo6I8}(4+) Core Cluster Complexes by Terminal Carboxylate Ligands.","Inorganic chemistry","2016","55","17","8437","8445","10.1021/acs.inorgchem.6b01042","","x-ray","0.71073","MoKα","","0.085","0.0432","","","0.0893","0.107","","","","","","1","","","","has coordinates,has disorder","232800","2020-10-21","18:00:00",""
"4348158","13.441","0.0007","23.9391","0.0012","14.5922","0.0006","90","","94.5167","0.0014","90","","4680.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H102 I8 Mo6 N2 O12 -","- C74 H102 I8 Mo6 N2 O12 -","- C148 H204 I16 Mo12 N4 O24 -","2","0.5","","Mikhailov, Maxim A.; Brylev, Konstantin A.; Abramov, Pavel A.; Sakuda, Eri; Akagi, Soichiro; Ito, Akitaka; Kitamura, Noboru; Sokolov, Maxim N.","Synthetic Tuning of Redox, Spectroscopic, and Photophysical Properties of {Mo6I8}(4+) Core Cluster Complexes by Terminal Carboxylate Ligands.","Inorganic chemistry","2016","55","17","8437","8445","10.1021/acs.inorgchem.6b01042","","x-ray","0.71073","MoKα","","0.0737","0.0386","","","0.0737","0.0831","","","","","","0.969","","","","has coordinates,has disorder","232800","2020-10-21","18:00:00",""
"4348159","14.2267","0.001","16.1895","0.0012","21.969","0.0016","90","","96.476","0.002","90","","5027.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C98 H114 I8 Mo6 N2 O12 -","- C98 H114 I8 Mo6 N2 O12 -","- C196 H228 I16 Mo12 N4 O24 -","2","0.5","","Mikhailov, Maxim A.; Brylev, Konstantin A.; Abramov, Pavel A.; Sakuda, Eri; Akagi, Soichiro; Ito, Akitaka; Kitamura, Noboru; Sokolov, Maxim N.","Synthetic Tuning of Redox, Spectroscopic, and Photophysical Properties of {Mo6I8}(4+) Core Cluster Complexes by Terminal Carboxylate Ligands.","Inorganic chemistry","2016","55","17","8437","8445","10.1021/acs.inorgchem.6b01042","","x-ray","0.71073","MoKα","","0.1517","0.062","","","0.1281","0.1724","","","","","","0.938","","","","has coordinates","232800","2020-10-21","18:00:00",""
"4348160","12.5244","0.0005","21.0853","0.0008","16.6103","0.0005","90","","105.959","0.001","90","","4217.4","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H72 F30 I8 Mo6 N2 O12 -","- C50 H72 F30 I8 Mo6 N2 O12 -","- C100 H144 F60 I16 Mo12 N4 O24 -","2","0.5","","Mikhailov, Maxim A.; Brylev, Konstantin A.; Abramov, Pavel A.; Sakuda, Eri; Akagi, Soichiro; Ito, Akitaka; Kitamura, Noboru; Sokolov, Maxim N.","Synthetic Tuning of Redox, Spectroscopic, and Photophysical Properties of {Mo6I8}(4+) Core Cluster Complexes by Terminal Carboxylate Ligands.","Inorganic chemistry","2016","55","17","8437","8445","10.1021/acs.inorgchem.6b01042","","x-ray","0.71073","MoKα","","0.0443","0.0353","","","0.0832","0.0891","","","","","","1.053","","","","has coordinates","232800","2020-10-21","18:00:00",""
"4348161","18.0461","0.0013","9.3406","0.0007","17.1624","0.0012","90","","115.156","0.001","90","","2618.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Br4 P4 Re2 -","- C12 H36 Br4 P4 Re2 -","- C48 H144 Br16 P16 Re8 -","4","0.5","","Johnstone, Erik V.; Poineau, Frederic; Todorova, Tanya K.; Forster, Paul M.; Sørensen, Lasse K; Fdez Galván, Ignacio; Lindh, Roland; Czerwinski, Kenneth R.; Sattelberger, Alfred P.","Molecular and Electronic Structure of Re2Br4(PMe3)4.","Inorganic chemistry","2016","55","14","7111","7116","10.1021/acs.inorgchem.6b01052","","","0.71073","MoKα","","0.0274","0.0261","","","0.0665","0.0671","","","","","","1.126","","","","has coordinates","232801","2020-10-21","18:00:00",""
"4348162","7.3316","0.0008","10.9505","0.0011","11.703","0.002","63.101","0.003","84.681","0.005","84.531","0.005","832.8","0.19","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cl N3 O2 Pt -","- C18 H16 Cl N3 O2 Pt -","- C36 H32 Cl2 N6 O4 Pt2 -","2","1","","Gong, Zhong-Liang; Zhong, Yu-Wu","H<sub>2</sub>PO<sub>4</sub><sup>-</sup>- and Solvent-Induced Polymorphism of an Amide-Functionalized [Pt(N^C^N)Cl] Complex.","Inorganic chemistry","2016","55","20","10143","10151","10.1021/acs.inorgchem.6b01059","","","0.71073","MoKα","","0.031","0.0301","","","0.0742","0.0752","","","","","","1.078","","","","has coordinates","232803","2020-10-21","18:00:00",""
"4348163","13.3677","0.0008","16.8635","0.0012","10.7622","0.0006","90","","90","","90","","2426.1","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Ti(DOBDC)(cat)(DEAH)2","","","- C88 H120 N8 O32 Ti4 -","- C88 H120 N8 O32 Ti4 -","- C88 H120 N8 O32 Ti4 -","1","0.125","","Assi, Hala; Pardo Pérez, Laura C; Mouchaham, Georges; Ragon, Florence; Nasalevich, Maxim; Guillou, Nathalie; Martineau, Charlotte; Chevreau, Hubert; Kapteijn, Freek; Gascon, Jorge; Fertey, Pierre; Elkaim, Erik; Serre, Christian; Devic, Thomas","Investigating the Case of Titanium(IV) Carboxyphenolate Photoactive Coordination Polymers.","Inorganic chemistry","2016","55","15","7192","7199","10.1021/acs.inorgchem.6b01060","","x-ray","0.66762","synchrotron","","0.0812","0.0676","","","0.1836","0.1987","","","","","","1.058","","","","has coordinates","232804","2020-10-21","18:00:00",""
"4348164","8.10511","0.00005","8.15098","0.00005","9.90029","0.00006","75.8518","0.0004","82.3596","0.0004","76.9343","0.0006","615.706","0.007","293","","293","","","","","","","","","5","P -1","-P 1","2","","","MIL-169","- C20 H24 N2 O17 Ti2 -","- C20 H16 N2 O17 Ti2 -","- C20 H16 N2 O17 Ti2 -","1","0.5","","Assi, Hala; Pardo Pérez, Laura C; Mouchaham, Georges; Ragon, Florence; Nasalevich, Maxim; Guillou, Nathalie; Martineau, Charlotte; Chevreau, Hubert; Kapteijn, Freek; Gascon, Jorge; Fertey, Pierre; Elkaim, Erik; Serre, Christian; Devic, Thomas","Investigating the Case of Titanium(IV) Carboxyphenolate Photoactive Coordination Polymers.","Inorganic chemistry","2016","55","15","7192","7199","10.1021/acs.inorgchem.6b01060","powder diffraction","","0.7261","X-raysynchrotron","","","","","","","","","0.05","3.53","","","","","","","has coordinates","232805","2020-10-21","18:00:00",""
"4348165","8.0923","0.0008","20.2213","0.0019","14.3201","0.0014","90","","98.568","0.002","90","","2317.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H37 N3 Pd0.5 S2 -","- C20 H37 N3 Pd0.5 S2 -","- C80 H148 N12 Pd2 S8 -","4","1","","Kennedy, Steven R.; Kozar, Morgan N.; Yennawar, Hemant P.; Lear, Benjamin J.","Steady-State Spectroscopic Analysis of Proton-Dependent Electron Transfer on Pyrazine-Appended Metal Dithiolenes [Ni(pdt)2], [Pd(pdt)2], and [Pt(pdt)2] (pdt = 2,3-Pyrazinedithiol).","Inorganic chemistry","2016","55","17","8459","8467","10.1021/acs.inorgchem.6b01065","","","0.71073","MoKα","","0.1013","0.067","","","0.1534","0.1715","","","","","","1.071","","","","has coordinates","232807","2020-10-21","18:00:00",""
"4348166","8.2394","0.0015","20.015","0.004","14.35","0.003","90","","99.736","0.004","90","","2332.4","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 N6 Pt S4 -","- C40 H46 N6 Pt S4 -","- C80 H92 N12 Pt2 S8 -","2","0.5","","Kennedy, Steven R.; Kozar, Morgan N.; Yennawar, Hemant P.; Lear, Benjamin J.","Steady-State Spectroscopic Analysis of Proton-Dependent Electron Transfer on Pyrazine-Appended Metal Dithiolenes [Ni(pdt)2], [Pd(pdt)2], and [Pt(pdt)2] (pdt = 2,3-Pyrazinedithiol).","Inorganic chemistry","2016","55","17","8459","8467","10.1021/acs.inorgchem.6b01065","","","0.71073","MoKα","","0.1188","0.0595","","","0.1491","0.1827","","","","","","0.965","","","","has coordinates","232808","2020-10-21","18:00:00",""
"4348167","8.6682","0.0002","14.7652","0.0003","18.3708","0.0004","71.785","0.002","88.7145","0.0019","76.039","0.002","2163.86","0.09","200","","200","","","","","","","","","4","P 1","P 1","1","","","","- C24 H26 N4 O2 -","- C24 H26 N4 O2 -","- C96 H104 N16 O8 -","4","4","","Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.","Inorganic chemistry","2016","55","15","7617","7629","10.1021/acs.inorgchem.6b01066","","x-ray","1.54184","CuKα","","0.0588","0.0501","","","0.1404","0.1493","","","","","","1.029","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348168","11.2386","0.0003","15.6641","0.0003","21.5505","0.0005","90","","90","","90","","3793.81","0.15","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 Cu2 N8 O6 -","- C32 H52 Cu2 N8 O6 -","- C128 H208 Cu8 N32 O24 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.","Inorganic chemistry","2016","55","15","7617","7629","10.1021/acs.inorgchem.6b01066","","","1.54184","CuKα","","0.053","0.0502","","","0.1306","0.1349","","","","","","1.043","","","","has coordinates,has disorder","232809","2020-10-21","18:00:00",""
"4348169","8.95087","0.0001","12.63503","0.0001","19.02315","0.00015","90","","90","","90","","2151.41","0.03","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 N4 O3 Zn -","- C19 H32 N4 O3 Zn -","- C76 H128 N16 O12 Zn4 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.","Inorganic chemistry","2016","55","15","7617","7629","10.1021/acs.inorgchem.6b01066","","x-ray","1.54184","CuKα","","0.0237","0.0226","","","0.0583","0.0592","","","","","","1.043","","","","has coordinates","232809","2020-10-21","18:00:00",""
"4348170","11.1735","0.0003","15.6927","0.0004","21.4976","0.0005","90","","90","","90","","3769.44","0.16","199.95","0.1","199.95","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N4 Ni O3 -","- C16 H26 N4 Ni O3 -","- C128 H208 N32 Ni8 O24 -","8","2","","Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.","Inorganic chemistry","2016","55","15","7617","7629","10.1021/acs.inorgchem.6b01066","","","0.71073","MoKα","","0.0379","0.0332","","","0.077","0.0819","","","","","","1.068","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4348171","10.1351","0.0002","10.5175","0.0002","11.9667","0.0002","81.1495","0.0017","67.742","0.002","62.348","0.002","1045.34","0.04","199.95","0.1","199.95","0.1","","","","","","","","5","P 1","P 1","1","","","","- C24 H24 Cu N4 O2 -","- C24 H24 Cu N4 O2 -","- C48 H48 Cu2 N8 O4 -","2","2","","Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.","Inorganic chemistry","2016","55","15","7617","7629","10.1021/acs.inorgchem.6b01066","","","1.54184","CuKα","","0.0275","0.0274","","","0.0739","0.0742","","","","","","1.053","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4348172","11.8168","0.0001","11.8168","0.0001","14.8474","0.00018","90","","90","","90","","2073.24","0.04","200","","200","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C12 H11 N Ni0.5 O2 -","- C12 H12 N2 Ni0.5 O -","- C96 H96 N16 Ni4 O8 -","8","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.","Inorganic chemistry","2016","55","15","7617","7629","10.1021/acs.inorgchem.6b01066","","","1.54184","CuKα","","0.0222","0.0218","","","0.0594","0.0598","","","","","","1.105","","","","has coordinates","232809","2020-10-21","18:00:00",""
"4348173","13.049","0.004","20.954","0.007","16.953","0.004","90","","121.536","0.017","90","","3951","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H112 O32 Ti12 -","- C48 H112 O32 Ti12 -","- C96 H224 O64 Ti24 -","2","0.5","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1594","0.0897","","","0.2332","0.292","","","","","","1.004","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348174","16.302","0.003","14.391","0.003","19.729","0.004","90","","91.356","0.004","90","","4627.2","1.6","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ti11","","- C54 H126 O32 Ti11 -","- C54 H126 O32 Ti11 -","- C108 H252 O64 Ti22 -","2","0.5","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1991","0.0966","","","0.2366","0.2842","","","","","","0.929","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348175","15.047","0.003","13.919","0.003","20.904","0.005","90","","90.123","0.002","90","","4378.1","1.7","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C54 H127 Cl Co O32 Ti11 -","- C54 H127 Cl Co O32 Ti11 -","- C108 H254 Cl2 Co2 O64 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1051","0.0579","","","0.1236","0.1469","","","","","","1.017","","","","has coordinates,has disorder","232810","2020-10-21","18:00:00",""
"4348176","15.0664","0.0016","13.9101","0.0014","20.852","0.002","90","","90","","90","","4370.1","0.8","296","2","296.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 Br Co O31 Ti11 -","- C51 H119 Br Co O31 Ti11 -","- C102 H238 Br2 Co2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1113","0.061","","","0.1504","0.1624","","","","","","0.881","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348177","15.0662","0.0004","13.9583","0.0004","20.9181","0.0005","90","","90","","90","","4399","0.2","296","2","296.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 Co I O31 Ti11 -","- C51 H119 Co I O31 Ti11 -","- C102 H238 Co2 I2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1247","0.0635","","","0.1305","0.1486","","","","","","0.841","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348178","26.935","0.017","13.625","0.007","26.06","0.01","90","","112.47","0.04","90","","8838","8","173","2","173.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C102 H238 Co2 N2 O68 Ti22 -","- C102 H238 Co2 N2 O68 Ti22 -","- C204 H476 Co4 N4 O136 Ti44 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","1.54178","CuKα","","0.1703","0.0947","","","0.2387","0.2894","","","","","","1.043","","","","has coordinates,has disorder","232810","2020-10-21","18:00:00",""
"4348179","15.0469","0.0009","13.9297","0.0009","20.9419","0.0014","90","","90","","90","","4389.4","0.5","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C54 H127 Cl Ni O32 Ti11 -","- C54 H127 Cl Ni O32 Ti11 -","- C108 H254 Cl2 Ni2 O64 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1568","0.0604","","","0.1024","0.1235","","","","","","0.772","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348180","15.118","0.003","13.918","0.003","20.887","0.005","90","","90.054","0.002","90","","4394.9","1.7","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 Br Ni O31 Ti11 -","- C51 H119 Br Ni O31 Ti11 -","- C102 H238 Br2 Ni2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1672","0.0736","","","0.1615","0.2012","","","","","","0.976","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348181","15.1113","0.0005","13.9459","0.0004","20.8851","0.0006","90","","90.141","0.002","90","","4401.3","0.2","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 I Ni O31 Ti11 -","- C51 H119 I Ni O31 Ti11 -","- C102 H238 I2 Ni2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1485","0.062","","","0.1252","0.1452","","","","","","0.829","","","","has coordinates,has disorder","232810","2020-10-21","18:00:00",""
"4348182","15.05","0.008","13.864","0.008","25.664","0.011","90","","125.86","0.02","90","","4340","4","173","2","173.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C51 H119 Cl Mg O31 Ti11 -","- C51 H119 Cl Mg O31 Ti11 -","- C102 H238 Cl2 Mg2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1377","0.0692","","","0.1821","0.2238","","","","","","0.996","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348183","15.11","0.003","14.173","0.003","20.714","0.005","90","","90.234","0.002","90","","4435.9","1.7","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 Br Mg O31 Ti11 -","- C51 H119 Br Mg O31 Ti11 -","- C102 H238 Br2 Mg2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.2153","0.1035","","","0.2759","0.3603","","","","","","1.024","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348184","15.036","0.004","15.163","0.004","39.981","0.01","90","","92.091","0.003","90","","9109","4","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H135 Ca Cl O33 Ti11 -","- C57 H135 Ca Cl O33 Ti11 -","- C228 H540 Ca4 Cl4 O132 Ti44 -","4","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1975","0.0823","","","0.213","0.2747","","","","","","1.03","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348185","26.4617","0.0009","14.9124","0.0006","24.3861","0.001","90","","90","","90","","9622.9","0.6","173","2","173.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C60 H141 Br Ca O34 Ti11 -","- C60 H141 Br Ca O34 Ti11 -","- C240 H564 Br4 Ca4 O136 Ti44 -","4","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1592","0.0681","","","0.136","0.1746","","","","","","1.058","","","","has coordinates,has disorder","232810","2020-10-21","18:00:00",""
"4348186","15.044","0.004","13.924","0.004","20.85","0.005","90","","90.041","0.002","90","","4368","2","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C54 H127 Cl O32 Ti11 Zn -","- C54 H127 Cl O32 Ti11 Zn -","- C108 H254 Cl2 O64 Ti22 Zn2 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.0941","0.0561","","","0.1282","0.1479","","","","","","1.033","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348187","15.0608","0.0004","13.9572","0.0005","20.8997","0.0006","90","","90","","90","","4393.3","0.2","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 Br O31 Ti11 Zn -","- C51 H119 Br O31 Ti11 Zn -","- C102 H238 Br2 O62 Ti22 Zn2 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1133","0.0534","","","0.1129","0.1243","","","","","","0.824","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348188","20.979","0.009","13.904","0.006","15.104","0.006","90","","90","","90","","4406","3","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 Cd Cl O31 Ti11 -","- C51 H119 Cd Cl O31 Ti11 -","- C102 H238 Cd2 Cl2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.0715","0.0472","","","0.1135","0.1203","","","","","","0.892","","","","has coordinates,has disorder","232810","2020-10-21","18:00:00",""
"4348189","15.081","0.004","13.925","0.003","20.958","0.005","90","","90","","90","","4401.2","1.8","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 Br Cd O31 Ti11 -","- C51 H119 Br Cd O31 Ti11 -","- C102 H238 Br2 Cd2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.0901","0.0556","","","0.1237","0.1326","","","","","","0.888","","","","has coordinates,has disorder","232810","2020-10-21","18:00:00",""
"4348193","12.237","0.003","17.603","0.004","18.068","0.004","63.374","0.009","84.751","0.01","80.344","0.01","3429.4","1.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 F18 Gd N O8 -","- C26 H21 F18 Gd N O8 -","- C104 H84 F72 Gd4 N4 O32 -","4","2","","Kanetomo, Takuya; Yoshitake, Toru; Ishida, Takayuki","Strongest Ferromagnetic Coupling in Designed Gadolinium(III)-Nitroxide Coordination Compounds.","Inorganic chemistry","2016","55","16","8140","8146","10.1021/acs.inorgchem.6b01072","","","0.71073","MoKα","","","0.0603","","","","0.1788","","","","","","1.011","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348195","12.6","0.004","16.415","0.005","17.768","0.005","67.165","0.01","78.935","0.011","80.124","0.011","3304.8","1.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 F18 Gd N O8 -","- C25 H19 F18 Gd N O8 -","- C100 H76 F72 Gd4 N4 O32 -","4","2","","Kanetomo, Takuya; Yoshitake, Toru; Ishida, Takayuki","Strongest Ferromagnetic Coupling in Designed Gadolinium(III)-Nitroxide Coordination Compounds.","Inorganic chemistry","2016","55","16","8140","8146","10.1021/acs.inorgchem.6b01072","","","0.71073","MoKα","","","0.0696","","","","0.1046","","","","","","1.071","","","","has coordinates","232815","2020-10-21","18:00:00",""
"4348197","10.53","0.004","17.475","0.007","23.745","0.007","68.282","0.013","78.289","0.014","76.722","0.016","3917","2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30.75 H31 F18 Gd N O8 -","- C30.75 H31 F18 Gd N O8 -","- C123 H124 F72 Gd4 N4 O32 -","4","2","","Kanetomo, Takuya; Yoshitake, Toru; Ishida, Takayuki","Strongest Ferromagnetic Coupling in Designed Gadolinium(III)-Nitroxide Coordination Compounds.","Inorganic chemistry","2016","55","16","8140","8146","10.1021/acs.inorgchem.6b01072","","","0.71073","MoKα","","","0.05","","","","0.0485","","","","","","1.071","","","","has coordinates","232817","2020-10-21","18:00:00",""
"4348200","18.721","0.008","10.223","0.004","12.798","0.005","90","","90","","90","","2449.3","1.7","100","2","100","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C8 H22 N12 O6 S4 Zn -","- C8 H22 N12 O6 S4 Zn -","- C32 H88 N48 O24 S16 Zn4 -","4","0.5","","Vaidya, Shefali; Tewary, Subrata; Singh, Saurabh Kumar; Langley, Stuart K.; Murray, Keith S.; Lan, Yanhua; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Shanmugam, Maheswaran","What Controls the Sign and Magnitude of Magnetic Anisotropy in Tetrahedral Cobalt(II) Single-Ion Magnets?","Inorganic chemistry","2016","55","19","9564","9578","10.1021/acs.inorgchem.6b01073","","","0.71075","MoKα","","0.0693","0.0556","","","0.097","0.1072","","","","","","0.906","","","","has coordinates","232821","2020-10-21","18:00:00",""
"4348202","17.38","0.004","11.675","0.002","9.717","0.0019","90","","101.83","0.03","90","","1929.8","0.7","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H16 Co N10 O7 S4 -","- C4 H18 Co N10 O7 S4 -","- C16 H72 Co4 N40 O28 S16 -","4","2","","Vaidya, Shefali; Tewary, Subrata; Singh, Saurabh Kumar; Langley, Stuart K.; Murray, Keith S.; Lan, Yanhua; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Shanmugam, Maheswaran","What Controls the Sign and Magnitude of Magnetic Anisotropy in Tetrahedral Cobalt(II) Single-Ion Magnets?","Inorganic chemistry","2016","55","19","9564","9578","10.1021/acs.inorgchem.6b01073","","","0.71073","MoKα","","0.0448","0.0383","","","0.0723","0.0752","","","","","","0.98","","","","has coordinates","232823","2020-10-21","18:00:00",""
"4348204","11.0016","0.0017","11.0693","0.0019","30.045","0.005","90","","99.965","0.004","90","","3603.7","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 Cl2 Co N8 O8 S4 -","- C20 H48 Cl2 Co N8 O8 S4 -","- C80 H192 Cl8 Co4 N32 O32 S16 -","4","1","","Vaidya, Shefali; Tewary, Subrata; Singh, Saurabh Kumar; Langley, Stuart K.; Murray, Keith S.; Lan, Yanhua; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Shanmugam, Maheswaran","What Controls the Sign and Magnitude of Magnetic Anisotropy in Tetrahedral Cobalt(II) Single-Ion Magnets?","Inorganic chemistry","2016","55","19","9564","9578","10.1021/acs.inorgchem.6b01073","","","0.71073","MoKα","","0.0368","0.0298","","","0.0723","0.0755","","","","","","1.04","","","","has coordinates","232825","2020-10-21","18:00:00",""
"4348206","9.872","0.002","12.827","0.003","21.942","0.006","89.409","0.001","79.215","0.007","70.307","0.006","2565.6","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H80 Cl2 Co N8 O8 S4 -","- C36 H80 Cl2 Co N8 O8 S4 -","- C72 H160 Cl4 Co2 N16 O16 S8 -","2","1","","Vaidya, Shefali; Tewary, Subrata; Singh, Saurabh Kumar; Langley, Stuart K.; Murray, Keith S.; Lan, Yanhua; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Shanmugam, Maheswaran","What Controls the Sign and Magnitude of Magnetic Anisotropy in Tetrahedral Cobalt(II) Single-Ion Magnets?","Inorganic chemistry","2016","55","19","9564","9578","10.1021/acs.inorgchem.6b01073","","","0.71073","MoKα","","0.1102","0.086","","","0.1814","0.1998","","","","","","1.135","","","","has coordinates","232827","2020-10-21","18:00:00",""
"4348209","12.68","0.003","21.788","0.004","26.086","0.004","84.313","0.007","83.401","0.013","87.921","0.015","7122","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C69.5 H78.5 Cl2 Co N8 O8.38 S4 -","- C69.5 H78.5 Cl2 Co N8 O8.375 S4 -","- C278 H314 Cl8 Co4 N32 O33.5 S16 -","4","2","","Vaidya, Shefali; Tewary, Subrata; Singh, Saurabh Kumar; Langley, Stuart K.; Murray, Keith S.; Lan, Yanhua; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Shanmugam, Maheswaran","What Controls the Sign and Magnitude of Magnetic Anisotropy in Tetrahedral Cobalt(II) Single-Ion Magnets?","Inorganic chemistry","2016","55","19","9564","9578","10.1021/acs.inorgchem.6b01073","","","1.54187","CuKα","","0.0865","0.073","","","0.1931","0.2112","","","","","","1.062","","","","has coordinates,has disorder","232829","2020-10-21","18:00:00",""
"4348214","12.8924","0.0004","19.8431","0.0006","20.7826","0.0006","82.912","0.003","81.025","0.003","89.725","0.002","5210.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H160 Cl4 N16 O16 S8 Zn2 -","- C72 H160 Cl4 N16 O16 S8 Zn2 -","- C144 H320 Cl8 N32 O32 S16 Zn4 -","2","1","","Vaidya, Shefali; Tewary, Subrata; Singh, Saurabh Kumar; Langley, Stuart K.; Murray, Keith S.; Lan, Yanhua; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Shanmugam, Maheswaran","What Controls the Sign and Magnitude of Magnetic Anisotropy in Tetrahedral Cobalt(II) Single-Ion Magnets?","Inorganic chemistry","2016","55","19","9564","9578","10.1021/acs.inorgchem.6b01073","","","0.71073","MoKα","","0.074","0.0633","","","0.1651","0.1784","","","","","","1.198","","","","has coordinates,has disorder","232831","2020-10-21","18:00:00",""
"4348219","11.7278","0.0007","13.7179","0.0008","14.0559","0.0009","99.869","0.001","90.452","0.001","111.754","0.001","2062.9","0.2","218","2","218.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H50 As6 Mn4 O23 -","- C12 H50 As6 Mn4 O23 -","- C24 H100 As12 Mn8 O46 -","2","1","","Chakov, Nicole E.; Thuijs, Annaliese E.; Wernsdorfer, Wolfgang; Rheingold, Arnold L.; Abboud, Khalil A.; Christou, George","Unusual Mn(III/IV)4 Cubane and Mn(III)16M4 (M = Ca, Sr) Looplike Clusters from the Use of Dimethylarsinic Acid.","Inorganic chemistry","2016","55","17","8468","8477","10.1021/acs.inorgchem.6b01077","","","0.71073","MoKα","","0.0549","0.0466","","","0.1454","0.15","","","","","","1.046","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348220","21.0608","0.0013","36.802","0.002","18.5315","0.0012","90","","94.3488","0.0012","90","","14322","1.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C190 H269 As24 Ca4 Mn16 N15 O88 -","- C164 H230 As24 Ca4 Mn16 N2 O88 -","- C328 H460 As48 Ca8 Mn32 N4 O176 -","2","0.5","","Chakov, Nicole E.; Thuijs, Annaliese E.; Wernsdorfer, Wolfgang; Rheingold, Arnold L.; Abboud, Khalil A.; Christou, George","Unusual Mn(III/IV)4 Cubane and Mn(III)16M4 (M = Ca, Sr) Looplike Clusters from the Use of Dimethylarsinic Acid.","Inorganic chemistry","2016","55","17","8468","8477","10.1021/acs.inorgchem.6b01077","","","0.71073","MoKα","","0.1001","0.0626","","","0.157","0.1693","","","","","","1.042","","","","has coordinates,has disorder","232833","2020-10-21","18:00:00",""
"4348221","20.862","0.003","36.594","0.005","18.644","0.002","90","","101.37","0.002","90","","13954","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C192 H280 As24 Mn16 N16 O88 Sr4 -","- C160 H224 As24 Mn16 O87 Sr4 -","- C320 H448 As48 Mn32 O174 Sr8 -","2","0.5","","Chakov, Nicole E.; Thuijs, Annaliese E.; Wernsdorfer, Wolfgang; Rheingold, Arnold L.; Abboud, Khalil A.; Christou, George","Unusual Mn(III/IV)4 Cubane and Mn(III)16M4 (M = Ca, Sr) Looplike Clusters from the Use of Dimethylarsinic Acid.","Inorganic chemistry","2016","55","17","8468","8477","10.1021/acs.inorgchem.6b01077","","","0.71073","MoKα","","0.1511","0.0881","","","0.2311","0.2741","","","","","","1.015","","","","has coordinates,has disorder","232833","2020-10-21","18:00:00",""
"4348226","10.184","0.002","11.385","0.002","21.809","0.004","90.654","0.002","100.864","0.004","111.008","0.004","2309.6","0.7","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 As P3 -","- C54 H66 As P3 -","- C108 H132 As2 P6 -","2","1","","Chalmers, Brian A.; Meigh, Christina B. E.; Nejman, Phillip S.; Bühl, Michael; Lébl, Tomáš; Woollins, J. Derek; Slawin, Alexandra M. Z.; Kilian, Petr","Geminally Substituted Tris(acenaphthyl) and Bis(acenaphthyl) Arsines, Stibines, and Bismuthine: A Structural and Nuclear Magnetic Resonance Investigation.","Inorganic chemistry","2016","55","14","7117","7125","10.1021/acs.inorgchem.6b01079","","","0.71075","MoKα","","0.0543","0.0387","","","0.0947","0.1029","","","","","","1.028","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348227","12.015","0.002","14.963","0.002","15.989","0.003","83.741","0.007","83.381","0.006","88.61","0.007","2838.1","0.8","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C61 H74 P3 Sb -","- C61 H74 P3 Sb -","- C122 H148 P6 Sb2 -","2","1","","Chalmers, Brian A.; Meigh, Christina B. E.; Nejman, Phillip S.; Bühl, Michael; Lébl, Tomáš; Woollins, J. Derek; Slawin, Alexandra M. Z.; Kilian, Petr","Geminally Substituted Tris(acenaphthyl) and Bis(acenaphthyl) Arsines, Stibines, and Bismuthine: A Structural and Nuclear Magnetic Resonance Investigation.","Inorganic chemistry","2016","55","14","7117","7125","10.1021/acs.inorgchem.6b01079","","","0.71075","MoKα","","0.0719","0.0645","","","0.1955","0.2053","","","","","","1.074","","","","has coordinates","232836","2020-10-21","18:00:00",""
"4348228","15.329","0.004","15.625","0.003","23.821","0.004","108.051","0.013","99.74","0.02","94.797","0.018","5290","2","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H70 Bi Cl4 P3 -","- C56 H70 Bi Cl4 P3 -","- C224 H280 Bi4 Cl16 P12 -","4","2","","Chalmers, Brian A.; Meigh, Christina B. E.; Nejman, Phillip S.; Bühl, Michael; Lébl, Tomáš; Woollins, J. Derek; Slawin, Alexandra M. Z.; Kilian, Petr","Geminally Substituted Tris(acenaphthyl) and Bis(acenaphthyl) Arsines, Stibines, and Bismuthine: A Structural and Nuclear Magnetic Resonance Investigation.","Inorganic chemistry","2016","55","14","7117","7125","10.1021/acs.inorgchem.6b01079","","","0.71075","MoKα","","0.1381","0.0777","","","0.1833","0.2149","","","","","","1.06","","","","has coordinates","232836","2020-10-21","18:00:00",""
"4348229","9.329","0.004","11.646","0.005","19.133","0.008","91.663","0.006","101.989","0.008","106.756","0.007","1938.2","1.4","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H51 As Cl2 P2 -","- C43 H51 As Cl2 P2 -","- C86 H102 As2 Cl4 P4 -","2","1","","Chalmers, Brian A.; Meigh, Christina B. E.; Nejman, Phillip S.; Bühl, Michael; Lébl, Tomáš; Woollins, J. Derek; Slawin, Alexandra M. Z.; Kilian, Petr","Geminally Substituted Tris(acenaphthyl) and Bis(acenaphthyl) Arsines, Stibines, and Bismuthine: A Structural and Nuclear Magnetic Resonance Investigation.","Inorganic chemistry","2016","55","14","7117","7125","10.1021/acs.inorgchem.6b01079","","","0.71075","MoKα","","0.1181","0.0931","","","0.2401","0.2508","","","","","","1.001","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348230","12.3925","0.0019","24.118","0.003","16.793","0.002","90","","95.78","0.003","90","","4993.6","1.2","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C59.5 H69 P2 Sb -","- C59.5 H68.5 P2 Sb -","- C238 H274 P8 Sb4 -","4","1","","Chalmers, Brian A.; Meigh, Christina B. E.; Nejman, Phillip S.; Bühl, Michael; Lébl, Tomáš; Woollins, J. Derek; Slawin, Alexandra M. Z.; Kilian, Petr","Geminally Substituted Tris(acenaphthyl) and Bis(acenaphthyl) Arsines, Stibines, and Bismuthine: A Structural and Nuclear Magnetic Resonance Investigation.","Inorganic chemistry","2016","55","14","7117","7125","10.1021/acs.inorgchem.6b01079","","","0.71075","MoKα","","0.0227","0.0208","","","0.0574","0.0636","","","","","","1.127","","","","has coordinates","232836","2020-10-21","18:00:00",""
"4348232","25.248","0.005","7.4044","0.0018","27.293","0.006","90","","111.451","0.011","90","","4748.9","1.9","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Fe N12 O3 Pt -","- C18 H18 Fe N12 O3 Pt -","- C144 H144 Fe8 N96 O24 Pt8 -","8","1","","Milin, Eric; Patinec, Véronique; Triki, Smail; Bendeif, El-Eulmi; Pillet, Sébastien; Marchivie, Mathieu; Chastanet, Guillaume; Boukheddaden, Kamel","Elastic Frustration Triggering Photoinduced Hidden Hysteresis and Multistability in a Two-Dimensional Photoswitchable Hofmann-Like Spin-Crossover Metal-Organic Framework.","Inorganic chemistry","2016","55","22","11652","11661","10.1021/acs.inorgchem.6b01081","","","0.71073","MoKα","","0.0173","0.0125","","","0.0277","0.0301","","","","","","1.087","","","","has coordinates","232838","2020-10-21","18:00:00",""
"4348233","24.795","0.006","7.247","0.002","27.105","0.006","90","","111.487","0.013","90","","4532","2","120","2","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Fe N12 O3 Pt -","- C18 H18 Fe N12 O3 Pt -","- C144 H144 Fe8 N96 O24 Pt8 -","8","1","","Milin, Eric; Patinec, Véronique; Triki, Smail; Bendeif, El-Eulmi; Pillet, Sébastien; Marchivie, Mathieu; Chastanet, Guillaume; Boukheddaden, Kamel","Elastic Frustration Triggering Photoinduced Hidden Hysteresis and Multistability in a Two-Dimensional Photoswitchable Hofmann-Like Spin-Crossover Metal-Organic Framework.","Inorganic chemistry","2016","55","22","11652","11661","10.1021/acs.inorgchem.6b01081","","","0.71073","MoKα","","0.0271","0.0194","","","0.0438","0.0472","","","","","","1.094","","","","has coordinates","232838","2020-10-21","18:00:00",""
"4348234","24.7216","0.0015","7.2484","0.0003","27.06","0.002","90","","111.429","0.008","90","","4513.7","0.5","10","5","10","5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Fe N12 O3 Pt -","- C18 H18 Fe N12 O3 Pt -","- C144 H144 Fe8 N96 O24 Pt8 -","8","1","","Milin, Eric; Patinec, Véronique; Triki, Smail; Bendeif, El-Eulmi; Pillet, Sébastien; Marchivie, Mathieu; Chastanet, Guillaume; Boukheddaden, Kamel","Elastic Frustration Triggering Photoinduced Hidden Hysteresis and Multistability in a Two-Dimensional Photoswitchable Hofmann-Like Spin-Crossover Metal-Organic Framework.","Inorganic chemistry","2016","55","22","11652","11661","10.1021/acs.inorgchem.6b01081","","","0.71073","MoKα","","0.1061","0.0569","","","0.0982","0.1138","","","","","","1.176","","","","has coordinates","232838","2020-10-21","18:00:00",""
"4348235","24.952","0.0019","7.3964","0.0005","27.129","0.002","90","","111.264","0.009","90","","4665.9","0.7","10","5","10","5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Fe N12 O3 Pt -","- C18 H18 Fe N12 O3 Pt -","- C144 H144 Fe8 N96 O24 Pt8 -","8","1","","Milin, Eric; Patinec, Véronique; Triki, Smail; Bendeif, El-Eulmi; Pillet, Sébastien; Marchivie, Mathieu; Chastanet, Guillaume; Boukheddaden, Kamel","Elastic Frustration Triggering Photoinduced Hidden Hysteresis and Multistability in a Two-Dimensional Photoswitchable Hofmann-Like Spin-Crossover Metal-Organic Framework.","Inorganic chemistry","2016","55","22","11652","11661","10.1021/acs.inorgchem.6b01081","","","0.71073","MoKα","","0.1035","0.0622","","","0.1059","0.1191","","","","","","1.189","","","","has coordinates","232838","2020-10-21","18:00:00",""
"4348236","24.578","0.0012","7.0841","0.0002","26.8551","0.0015","90","","111.843","0.006","90","","4340.1","0.4","10","5","10","5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Fe N12 O3 Pt -","- C18 H18 Fe N12 O3 Pt -","- C144 H144 Fe8 N96 O24 Pt8 -","8","1","","Milin, Eric; Patinec, Véronique; Triki, Smail; Bendeif, El-Eulmi; Pillet, Sébastien; Marchivie, Mathieu; Chastanet, Guillaume; Boukheddaden, Kamel","Elastic Frustration Triggering Photoinduced Hidden Hysteresis and Multistability in a Two-Dimensional Photoswitchable Hofmann-Like Spin-Crossover Metal-Organic Framework.","Inorganic chemistry","2016","55","22","11652","11661","10.1021/acs.inorgchem.6b01081","","","0.71073","MoKα","","0.0534","0.0268","","","0.0456","0.0565","","","","","","1.009","","","","has coordinates","232838","2020-10-21","18:00:00",""
"4348239","11.6912","0.0005","17.7653","0.0009","6.9972","0.0003","90","","102.543","0.003","90","","1418.62","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co N6 O14 -","- C24 H20 Co N6 O14 -","- C48 H40 Co2 N12 O28 -","2","0.5","","Roy, Subhadip; Oyarzabal, Itziar; Vallejo, Julia; Cano, Joan; Colacio, Enrique; Bauza, Antonio; Frontera, Antonio; Kirillov, Alexander M.; Drew, Michael G. B.; Das, Subrata","Two Polymorphic Forms of a Six-Coordinate Mononuclear Cobalt(II) Complex with Easy-Plane Anisotropy: Structural Features, Theoretical Calculations, and Field-Induced Slow Relaxation of the Magnetization.","Inorganic chemistry","2016","55","17","8502","8513","10.1021/acs.inorgchem.6b01087","","","0.71073","MoKα","","0.0605","0.037","","","0.0899","0.0991","","","","","","1.045","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348242","22.228","0.004","17.2","0.004","7.4727","0.0016","90","","97.205","0.016","90","","2834.4","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Co N6 O14 -","- C24 H20 Co N6 O14 -","- C96 H80 Co4 N24 O56 -","4","0.5","","Roy, Subhadip; Oyarzabal, Itziar; Vallejo, Julia; Cano, Joan; Colacio, Enrique; Bauza, Antonio; Frontera, Antonio; Kirillov, Alexander M.; Drew, Michael G. B.; Das, Subrata","Two Polymorphic Forms of a Six-Coordinate Mononuclear Cobalt(II) Complex with Easy-Plane Anisotropy: Structural Features, Theoretical Calculations, and Field-Induced Slow Relaxation of the Magnetization.","Inorganic chemistry","2016","55","17","8502","8513","10.1021/acs.inorgchem.6b01087","","","0.71073","MoKα","","0.1151","0.0865","","","0.2189","0.2525","","","","","","1.135","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348244","12.9962","0.0006","23.5193","0.0011","17.3109","0.0008","90","","135.699","0.0041","90","","3695.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Cl2 Fe N9 O8 -","- C32 H35 Cl2 Fe N9 O8 -","- C128 H140 Cl8 Fe4 N36 O32 -","4","1","","Lakk-Bogáth, Dóra; Csonka, Róbert; Speier, Gábor; Réglier, Marius; Simaan, A. Jalila; Naubron, Jean-Valère; Giorgi, Michel; Lázár, Károly; Kaizer, József","Formation, Characterization, and Reactivity of a Nonheme Oxoiron(IV) Complex Derived from the Chiral Pentadentate Ligand asN4Py.","Inorganic chemistry","2016","55","20","10090","10093","10.1021/acs.inorgchem.6b01089","","x-ray","0.71073","MoKα","","0.1226","0.0816","","","0.2055","0.2329","","","","","","1.046","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4348245","8.6788","0.0006","8.8994","0.0004","13.9946","0.0009","102.349","0.005","104.313","0.006","95.215","0.005","1011.24","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H23 N5 -","- C24 H23 N5 -","- C48 H46 N10 -","2","1","","Lakk-Bogáth, Dóra; Csonka, Róbert; Speier, Gábor; Réglier, Marius; Simaan, A. Jalila; Naubron, Jean-Valère; Giorgi, Michel; Lázár, Károly; Kaizer, József","Formation, Characterization, and Reactivity of a Nonheme Oxoiron(IV) Complex Derived from the Chiral Pentadentate Ligand asN4Py.","Inorganic chemistry","2016","55","20","10090","10093","10.1021/acs.inorgchem.6b01089","","x-ray","0.71073","MoKα","","0.1081","0.0582","","","0.109","0.1281","","","","","","1.088","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348252","9.559","0.0005","9.9126","0.0007","13.401","0.0007","99.547","0.002","95.713","0.002","112.439","0.001","1138.79","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Au Cl N3 P -","- C26 H20 Au Cl N3 P -","- C52 H40 Au2 Cl2 N6 P2 -","2","1","","Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.","Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.","Inorganic chemistry","2016","55","17","8514","8526","10.1021/acs.inorgchem.6b01094","","","0.71073","MoKα","","0.0196","0.0182","","","0.0454","0.0459","","","","","","1.068","","","","has coordinates","232847","2020-10-21","18:00:00",""
"4348253","9.9687","0.0005","10.0509","0.0005","15.8649","0.001","82.6","0.005","74.265","0.005","81.68","0.004","1507.2","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H28 Cl Cu N5 P -","- C38 H28 Cl Cu N5 P -","- C76 H56 Cl2 Cu2 N10 P2 -","2","1","","Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.","Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.","Inorganic chemistry","2016","55","17","8514","8526","10.1021/acs.inorgchem.6b01094","","","0.71073","MoKα","","0.0539","0.047","","","0.119","0.1243","","","","","","1.031","","","","has coordinates","232848","2020-10-21","18:00:00",""
"4348263","10.1064","0.0005","13.1454","0.0007","15.2293","0.0008","100.385","0.003","107.129","0.002","90.703","0.003","1897.23","0.17","102","2","102","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Cl5 Cu N5 P -","- C40 H32 Cl5 Cu N5 P -","- C80 H64 Cl10 Cu2 N10 P2 -","2","1","","Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.","Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.","Inorganic chemistry","2016","55","17","8514","8526","10.1021/acs.inorgchem.6b01094","","","1.54178","CuKα","","0.0636","0.0545","","","0.1456","0.1503","","","","","","1.058","","","","has coordinates","232850","2020-10-21","18:00:00",""
"4348264","10.1081","0.001","10.2599","0.001","16.0076","0.0015","82.718","0.0013","73.646","0.0013","81.978","0.0013","1570.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bromido(1,10-phenanthroline-κ^2^<i>N,N'</i>)(5- (diphenylphosphanyl)-1,4-diphenyl-1H-1,2,3-triazole- κ<i>P</i>)copper(I)","","- C38 H28 Br Cu N5 P -","- C38 H28 Br Cu N5 P -","- C76 H56 Br2 Cu2 N10 P2 -","2","1","","Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.","Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.","Inorganic chemistry","2016","55","17","8514","8526","10.1021/acs.inorgchem.6b01094","","","0.71073","MoKα","","0.0355","0.0293","","","0.076","0.0793","","","","","","1.04","","","","has coordinates","232851","2020-10-21","18:00:00",""
"4348266","9.842","0.003","14.101","0.004","16.584","0.005","90","","95.314","0.007","90","","2291.7","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cu I N3 P -","- C26 H20 Cu I N3 P -","- C104 H80 Cu4 I4 N12 P4 -","4","1","","Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.","Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.","Inorganic chemistry","2016","55","17","8514","8526","10.1021/acs.inorgchem.6b01094","","","0.71075","MoKα","","0.0238","0.0224","","","0.0525","0.0532","","","","","","1.048","","","","has coordinates","232853","2020-10-21","18:00:00",""
"4348267","10.6311","0.0005","11.0562","0.0005","14.9648","0.0007","110.036","0.0006","90.808","0.0007","114.174","0.0007","1482.92","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Chlorido(2,2'-bipyridyl)(5-diphenylphosphanyl-1,2- diphenyl-1H-1,2,3-triazole)copper(I)","","- C36 H28 Cl Cu N5 P -","- C36 H28 Cl Cu N5 P -","- C72 H56 Cl2 Cu2 N10 P2 -","2","1","","Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.","Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.","Inorganic chemistry","2016","55","17","8514","8526","10.1021/acs.inorgchem.6b01094","","","0.71073","MoKα","","0.047","0.0363","","","0.0874","0.0938","","","","","","1.031","","","","has coordinates","232854","2020-10-21","18:00:00",""
"4348272","10.3148","0.0005","10.384","0.0005","11.6306","0.0006","78.009","0.002","75.91","0.002","76.813","0.002","1161.02","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Au Cl N3 P -","- C26 H20 Au Cl N3 P -","- C52 H40 Au2 Cl2 N6 P2 -","2","1","","Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.","Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.","Inorganic chemistry","2016","55","17","8514","8526","10.1021/acs.inorgchem.6b01094","","","0.71073","MoKα","","0.0182","0.0174","","","0.0415","0.0419","","","","","","1.048","","","","has coordinates","232856","2020-10-21","18:00:00",""
"4348274","10.2654","0.0007","12.6027","0.0009","22.9535","0.0016","100.688","0.001","92.727","0.0011","107.202","0.001","2770.8","0.3","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","{μ-(1-[2-diphenylphosphanyl)phenyl]-4-phenyl-1H-1,2,3-triazole- 1κ^2^<i>P,N</i>; 2κ<i>N</i>}{μ-(1-[2-diphenylphosphanyl)phenyl]- 4-phenyl-1H-1,2,3-triazole-1κ<i>N</i>; 2κ^2^<i>P,N</i>}(aqua- 1κ<i>O</i>)(acetonitrile-2κ<i>N</i>)dicopper(I) tetrafluoroborate dichloromethane solvate","","- C55 H47 B2 Cl2 Cu2 F8 N7 O P2 -","- C55 H47 B2 Cl2 Cu2 F8 N7 O P2 -","- C110 H94 B4 Cl4 Cu4 F16 N14 O2 P4 -","2","1","","Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.","Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.","Inorganic chemistry","2016","55","17","8514","8526","10.1021/acs.inorgchem.6b01094","","","0.71073","MoKα","","0.073","0.0514","","","0.1278","0.1376","","","","","","1.106","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348279","13.2112","0.0014","11.1621","0.0009","14.5906","0.0014","90","","108.833","0.011","90","","2036.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N3 P -","- C26 H20 N3 P -","- C104 H80 N12 P4 -","4","1","","Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.","Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.","Inorganic chemistry","2016","55","17","8514","8526","10.1021/acs.inorgchem.6b01094","","","0.71073","MoKα","","0.0454","0.0411","","","0.1021","0.1059","","","","","","1.037","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348280","7.4106","0.0004","15.187","0.0007","19.4567","0.0009","72.029","0.001","87.871","0.001","86.28","0.001","2078.19","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N3 P -","- C26 H20 N3 P -","- C104 H80 N12 P4 -","4","2","","Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.","Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.","Inorganic chemistry","2016","55","17","8514","8526","10.1021/acs.inorgchem.6b01094","","","0.71073","MoKα","","0.0736","0.0534","","","0.1307","0.1463","","","","","","1.03","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348284","10.2433","0.0006","16.1714","0.001","12.1589","0.0007","90","","91.126","0.002","90","","2013.7","0.2","173","2","173","2","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","","- C26 H50 Au3 Cl2 F3 N4 O3 P2 S2 -","- C26 H50 Au3 Cl2 F3 N4 O3 P2 S2 -","- C52 H100 Au6 Cl4 F6 N8 O6 P4 S4 -","2","0.5","","Ai, Pengfei; Mauro, Matteo; Gourlaouen, Christophe; Carrara, Serena; De Cola, Luisa; Tobon, Yeny; Giovanella, Umberto; Botta, Chiara; Danopoulos, Andreas A.; Braunstein, Pierre","Bonding, Luminescence, Metallophilicity in Linear Au3 and Au2Ag Chains Stabilized by Rigid Diphosphanyl NHC Ligands.","Inorganic chemistry","2016","55","17","8527","8542","10.1021/acs.inorgchem.6b01095","","","0.71073","MoKα","","0.0354","0.0253","","","0.0564","0.061","","","","","","1.031","","","","has coordinates","232863","2020-10-21","18:00:00",""
"4348285","8.7716","0.0007","13.4707","0.0009","23.8674","0.0017","90","","92.103","0.002","90","","2818.3","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H76 Au2 F6 N4 O6 P4 S2 -","- C40 H76 Au2 F6 N4 O6 P4 S2 -","- C80 H152 Au4 F12 N8 O12 P8 S4 -","2","0.5","","Ai, Pengfei; Mauro, Matteo; Gourlaouen, Christophe; Carrara, Serena; De Cola, Luisa; Tobon, Yeny; Giovanella, Umberto; Botta, Chiara; Danopoulos, Andreas A.; Braunstein, Pierre","Bonding, Luminescence, Metallophilicity in Linear Au3 and Au2Ag Chains Stabilized by Rigid Diphosphanyl NHC Ligands.","Inorganic chemistry","2016","55","17","8527","8542","10.1021/acs.inorgchem.6b01095","","","0.71073","MoKα","","0.0805","0.0566","","","0.127","0.1373","","","","","","1.093","","","","has coordinates","232863","2020-10-21","18:00:00",""
"4348286","10.3495","0.0005","16.4819","0.0009","11.6668","0.0005","90","","90.964","0.003","90","","1989.83","0.17","173","2","173","2","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","","- C26 H49 Au3 Cl2 F3 N3 O3 P2 S2 -","- C26 H49 Au3 Cl2 F3 N3 O3 P2 S2 -","- C52 H98 Au6 Cl4 F6 N6 O6 P4 S4 -","2","0.5","","Ai, Pengfei; Mauro, Matteo; Gourlaouen, Christophe; Carrara, Serena; De Cola, Luisa; Tobon, Yeny; Giovanella, Umberto; Botta, Chiara; Danopoulos, Andreas A.; Braunstein, Pierre","Bonding, Luminescence, Metallophilicity in Linear Au3 and Au2Ag Chains Stabilized by Rigid Diphosphanyl NHC Ligands.","Inorganic chemistry","2016","55","17","8527","8542","10.1021/acs.inorgchem.6b01095","","","0.71073","MoKα","","0.0687","0.0431","","","0.1076","0.1484","","","","","","1.122","","","","has coordinates","232863","2020-10-21","18:00:00",""
"4348296","9.7777","0.0009","14.5379","0.0013","18.5728","0.0019","90","","103.671","0.003","90","","2565.3","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 F6 N2 O6 Pt S2 -","- C24 H16 F6 N2 O6 Pt S2 -","- C96 H64 F24 N8 O24 Pt4 S8 -","4","0.5","","Juliá, Fabio; García-Legaz, María-Dulce; Bautista, Delia; González-Herrero, Pablo","Influence of Ancillary Ligands and Isomerism on the Luminescence of Bis-cyclometalated Platinum(IV) Complexes.","Inorganic chemistry","2016","55","15","7647","7660","10.1021/acs.inorgchem.6b01100","","","0.71073","MoKα","","0.0145","0.0132","","","0.0312","0.0316","","","","","","1.118","","","","has coordinates","232867","2020-10-21","18:00:00",""
"4348297","12.7573","0.0011","13.6342","0.0012","13.0045","0.0011","90","","97.128","0.003","90","","2244.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Br2 Cl2 N2 Pt -","- C23 H18 Br2 Cl2 N2 Pt -","- C92 H72 Br8 Cl8 N8 Pt4 -","4","1","","Juliá, Fabio; García-Legaz, María-Dulce; Bautista, Delia; González-Herrero, Pablo","Influence of Ancillary Ligands and Isomerism on the Luminescence of Bis-cyclometalated Platinum(IV) Complexes.","Inorganic chemistry","2016","55","15","7647","7660","10.1021/acs.inorgchem.6b01100","","","0.71073","MoKα","","0.0525","0.0324","","","0.0558","0.0612","","","","","","1.039","","","","has coordinates","232867","2020-10-21","18:00:00",""
"4348298","9.1313","0.0006","11.5755","0.0007","13.06","0.0008","100.955","0.002","107.271","0.003","104.593","0.002","1222.16","0.14","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 F6 N2 O4 Pt -","- C26 H16 F6 N2 O4 Pt -","- C52 H32 F12 N4 O8 Pt2 -","2","1","","Juliá, Fabio; García-Legaz, María-Dulce; Bautista, Delia; González-Herrero, Pablo","Influence of Ancillary Ligands and Isomerism on the Luminescence of Bis-cyclometalated Platinum(IV) Complexes.","Inorganic chemistry","2016","55","15","7647","7660","10.1021/acs.inorgchem.6b01100","","","0.71073","MoKα","","0.0657","0.049","","","0.1205","0.1301","","","","","","1.039","","","","has coordinates,has disorder","232867","2020-10-21","18:00:00",""
"4348299","24.0111","0.0011","43.5461","0.0019","6.9271","0.0003","90","","90","","90","","7242.9","0.6","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H19 F N2 Pt -","- C23 H19 F N2 Pt -","- C368 H304 F16 N32 Pt16 -","16","1","","Juliá, Fabio; García-Legaz, María-Dulce; Bautista, Delia; González-Herrero, Pablo","Influence of Ancillary Ligands and Isomerism on the Luminescence of Bis-cyclometalated Platinum(IV) Complexes.","Inorganic chemistry","2016","55","15","7647","7660","10.1021/acs.inorgchem.6b01100","","","0.71073","MoKα","","0.0216","0.0171","","","0.0263","0.0268","","","","","","1.048","","","","has coordinates","232867","2020-10-21","18:00:00",""
"4348300","8.7809","0.0008","13.9674","0.0012","15.6904","0.0015","90","","98.541","0.003","90","","1903","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Br N2 Pt -","- C23 H19 Br N2 Pt -","- C92 H76 Br4 N8 Pt4 -","4","1","","Juliá, Fabio; García-Legaz, María-Dulce; Bautista, Delia; González-Herrero, Pablo","Influence of Ancillary Ligands and Isomerism on the Luminescence of Bis-cyclometalated Platinum(IV) Complexes.","Inorganic chemistry","2016","55","15","7647","7660","10.1021/acs.inorgchem.6b01100","","","0.71073","MoKα","","0.0294","0.0223","","","0.0419","0.0432","","","","","","1.15","","","","has coordinates,has disorder","232867","2020-10-21","18:00:00",""
"4348306","23.8874","0.0012","23.8874","0.0012","36.086","0.004","90","","90","","120","","17832","2","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","Bis complex of Iron(II) tris((BEDT-TTF)methylthio-4-2,2'-bipyridine PF6 salt.","","- C63 H48 F12 Fe N6 P2 S27 -","- C63 H48 Fe N6 S27 -","- C378 H288 Fe6 N36 S162 -","6","0.333333","","Wang, Qiang; Martin, Lee; Blake, Alexander J.; Day, Peter; Akutsu, Hiroki; Wallis, John D.","Coordination Chemistry of 2,2'-Bipyridyl- and 2,2':6',2″-Terpyridyl-Substituted BEDT-TTFs: Formation of a Supramolecular Capsule Motif by the Iron(II) Tris Complex of 2,2'-Bipyridine-4-thiomethyl-BEDT-TTF.","Inorganic chemistry","2016","55","17","8543","8551","10.1021/acs.inorgchem.6b01101","","","0.71073","MoKα","","0.0846","0.0538","","","0.137","0.149","","","","","","0.85","","","","has coordinates,has disorder","232869","2020-10-21","18:00:00",""
"4348307","17.2349","0.0004","17.2808","0.0004","7.9477","0.0001","90","","92.095","0.015","90","","2365.5","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridin-6-thiomethyl]BEDT-TTF","","- C21 H16 N2 S9 -","- C21 H16 N2 S9 -","- C84 H64 N8 S36 -","4","1","","Wang, Qiang; Martin, Lee; Blake, Alexander J.; Day, Peter; Akutsu, Hiroki; Wallis, John D.","Coordination Chemistry of 2,2'-Bipyridyl- and 2,2':6',2″-Terpyridyl-Substituted BEDT-TTFs: Formation of a Supramolecular Capsule Motif by the Iron(II) Tris Complex of 2,2'-Bipyridine-4-thiomethyl-BEDT-TTF.","Inorganic chemistry","2016","55","17","8543","8551","10.1021/acs.inorgchem.6b01101","","","0.71073","MoKα","","0.0587","0.0434","","","0.0994","0.1077","","","","","","1.022","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348310","21.426","0.008","7.889","0.004","19.961","0.013","90","","116.79","0.04","90","","3012","3","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H16 Br5 N2 Sb -","- C5 H16 Br5 N2 Sb -","- C40 H128 Br40 N16 Sb8 -","8","2","","Mao, Chen-Yu; Liao, Wei-Qiang; Wang, Zhong-Xia; Zafar, Zainab; Li, Peng-Fei; Lv, Xing-Hui; Fu, Da-Wei","Temperature-Triggered Dielectric-Optical Duple Switch Based on an Organic-Inorganic Hybrid Phase Transition Crystal: [C5N2H16]2SbBr5.","Inorganic chemistry","2016","55","15","7661","7666","10.1021/acs.inorgchem.6b01107","","","0.71073","MoKα","","0.1708","0.146","","","0.3036","0.3203","","","","","","1.142","","","","has coordinates","232871","2020-10-21","18:00:00",""
"4348312","19.227","0.014","7.894","0.006","10.118","0.008","90","","90","","90","","1536","2","343","2","343","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 Br5 N2 Sb -","- C5 H16 Br5 N2 Sb -","- C20 H64 Br20 N8 Sb4 -","4","0.5","","Mao, Chen-Yu; Liao, Wei-Qiang; Wang, Zhong-Xia; Zafar, Zainab; Li, Peng-Fei; Lv, Xing-Hui; Fu, Da-Wei","Temperature-Triggered Dielectric-Optical Duple Switch Based on an Organic-Inorganic Hybrid Phase Transition Crystal: [C5N2H16]2SbBr5.","Inorganic chemistry","2016","55","15","7661","7666","10.1021/acs.inorgchem.6b01107","","","0.71073","MoKα","","0.0691","0.0493","","","0.1077","0.1163","","","","","","1.074","","","","has coordinates","232873","2020-10-21","18:00:00",""
"4348316","13.919","0.004","13.681","0.004","17.101","0.004","90","","90","","90","","3256.5","1.5","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H6 F5 N S -","- C5 H6 F5 N S -","- C80 H96 F80 N16 S16 -","16","2","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.0442","0.0298","","","0.0805","0.0936","","","","","","1.093","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348317","16.366","0.011","8.794","0.006","8.842","0.006","90","","116.566","0.007","90","","1138.2","1.3","143","2","143","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C5 H7 F10 N S2 -","- C5 H6 F10 N S2 -","- C20 H24 F40 N4 S8 -","4","0.5","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.073","0.0466","","","0.0963","0.1089","","","","","","1.029","","","","has coordinates,has disorder","232875","2020-10-21","18:00:00",""
"4348318","7.261","0.016","8.419","0.018","8.705","0.019","61.9","0.02","82.15","0.02","75.28","0.02","453.9","1.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 F5 N S -","- C6 H8 F5 N S -","- C12 H16 F10 N2 S2 -","2","1","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.0344","0.0295","","","0.0831","0.0884","","","","","","1.025","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348319","19.22","0.04","7.741","0.016","4.74","0.01","90","","90","","90","","705","3","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H9 F2 N -","- C6 H9 F2 N -","- C24 H36 F8 N4 -","4","0.5","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.0541","0.0366","","","0.1016","0.1148","","","","","","1.019","","","","has coordinates","232875","2020-10-21","18:00:00",""
"4348320","7.8081","0.0016","18.207","0.004","14.352","0.003","90","","99.917","0.002","90","","2009.8","0.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 F10 N2 S2 -","- C14 H20 F10 N2 S2 -","- C56 H80 F40 N8 S8 -","4","1","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.0427","0.0384","","","0.1066","0.1106","","","","","","1.03","","","","has coordinates,has disorder","232875","2020-10-21","18:00:00",""
"4348321","8.605","0.006","20.371","0.015","16.5","0.012","90","","90.415","0.009","90","","2892","4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 F10 N2 S2 -","- C7 H12 F10 N2 S2 -","- C56 H96 F80 N16 S16 -","8","2","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.0497","0.0324","","","0.0773","0.0867","","","","","","1.015","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348322","7.001","0.005","14.351","0.01","21.647","0.015","90","","96.742","0.008","90","","2160","3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 Cl2 F6 N4 S -","- C15 H24 Cl2 F6 N4 S -","- C60 H96 Cl8 F24 N16 S4 -","4","1","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.0948","0.069","","","0.1721","0.1841","","","","","","1.135","","","","has coordinates,has disorder","232875","2020-10-21","18:00:00",""
"4348323","7.339","0.007","10.783","0.01","18.641","0.017","90","","90","","90","","1475","2","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 F9 N2 S2 -","- C10 H9 F9 N2 S2 -","- C40 H36 F36 N8 S8 -","4","1","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.0428","0.0377","","","0.0998","0.1041","","","","","","1.022","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348324","16.53","0.013","16.53","0.013","8.322","0.006","90","","90","","90","","2274","3","153","2","153","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C10 H10 F18 N2 S4 -","- C10 H10 F18 N2 S4 -","- C40 H40 F72 N8 S16 -","4","0.5","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.0639","0.0324","","","0.0736","0.0882","","","","","","1.054","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348330","7.016","0.0002","18.7659","0.0006","23.7144","0.0007","90","","90","","90","","3122.27","0.16","100","","100","1","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C33 H51 Co N3 O -","- C33 H51 Co N3 O -","- C132 H204 Co4 N12 O4 -","4","0.5","","Grant, Lauren N.; Carroll, Maria E.; Carroll, Patrick J.; Mindiola, Daniel J.","An Unusual Cobalt Azide Adduct That Produces a Nitrene Species for Carbon-Hydrogen Insertion Chemistry.","Inorganic chemistry","2016","55","16","7997","8002","10.1021/acs.inorgchem.6b01114","","","0.71073","MoKα","","0.0696","0.0588","","","0.1539","0.1619","","","","","","1.1","","","","has coordinates","232877","2020-10-21","18:00:00",""
"4348331","13.4981","0.0004","27.712","0.0007","9.8034","0.0003","90","","96.281","0.002","90","","3645.04","0.18","100","","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H56 Co N6 -","- C39 H56 Co N6 -","- C156 H224 Co4 N24 -","4","1","","Grant, Lauren N.; Carroll, Maria E.; Carroll, Patrick J.; Mindiola, Daniel J.","An Unusual Cobalt Azide Adduct That Produces a Nitrene Species for Carbon-Hydrogen Insertion Chemistry.","Inorganic chemistry","2016","55","16","7997","8002","10.1021/acs.inorgchem.6b01114","","","0.71073","MoKα","","0.1673","0.0726","","","0.1422","0.179","","","","","","0.999","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348332","6.8999","0.0004","18.8622","0.0009","23.8702","0.0011","90","","90","","90","","3106.6","0.3","100","","100","1","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C36 H49 Co N3 -","- C36 H51 Co N3 -","- C144 H204 Co4 N12 -","4","0.25","","Grant, Lauren N.; Carroll, Maria E.; Carroll, Patrick J.; Mindiola, Daniel J.","An Unusual Cobalt Azide Adduct That Produces a Nitrene Species for Carbon-Hydrogen Insertion Chemistry.","Inorganic chemistry","2016","55","16","7997","8002","10.1021/acs.inorgchem.6b01114","","","0.71073","MoKα","","0.0696","0.0569","","","0.112","0.1162","","","","","","1.22","","","","has coordinates","232877","2020-10-21","18:00:00",""
"4348333","9.3711","0.0005","12.004","0.0006","15.584","0.0008","95.925","0.003","93.552","0.003","99.093","0.003","1716.3","0.15","100","","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C39 H56 Co N4 -","- C39 H56 Co N4 -","- C78 H112 Co2 N8 -","2","1","","Grant, Lauren N.; Carroll, Maria E.; Carroll, Patrick J.; Mindiola, Daniel J.","An Unusual Cobalt Azide Adduct That Produces a Nitrene Species for Carbon-Hydrogen Insertion Chemistry.","Inorganic chemistry","2016","55","16","7997","8002","10.1021/acs.inorgchem.6b01114","","","0.71073","MoKα","","0.0503","0.0434","","","0.1169","0.1238","","","","","","1.101","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348336","14.646","0.003","17.632","0.004","5.372","0.0011","90","","90","","90","","1387.3","0.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","Lead(II) acetate hemihydrate","'Lead(II) acetate hemihydrate'","","- C8 H14 O9 Pb2 -","- C8 H14 O9 Pb2 -","- C32 H56 O36 Pb8 -","4","1","","Martínez-Casado, Francisco J; Ramos-Riesco, Miguel; Rodríguez-Cheda, José A; Cucinotta, Fabio; Matesanz, Emilio; Miletto, Ivana; Gianotti, Enrica; Marchese, Leonardo; Matěj, Zdeněk","Unraveling the Decomposition Process of Lead(II) Acetate: Anhydrous Polymorphs, Hydrates, and Byproducts and Room Temperature Phosphorescence.","Inorganic chemistry","2016","55","17","8576","8586","10.1021/acs.inorgchem.6b01116","","","0.8","synchrotron","","0.0386","0.0319","","","0.081","0.086","","","","","","1.072","","","","has coordinates","232880","2020-10-21","18:00:00",""
"4348337","12.6171","0.0005","7.1137","0.0003","38.2093","0.0012","90","","99.017","0.002","90","","3387.1","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Lead(II) acetate. polymorph alpha","'Lead(II) acetate. alpha polymorph'","","- C40 H60 O40 Pb10 -","- C40 H60 O40 Pb10 -","- C80 H120 O80 Pb20 -","2","1","","Martínez-Casado, Francisco J; Ramos-Riesco, Miguel; Rodríguez-Cheda, José A; Cucinotta, Fabio; Matesanz, Emilio; Miletto, Ivana; Gianotti, Enrica; Marchese, Leonardo; Matěj, Zdeněk","Unraveling the Decomposition Process of Lead(II) Acetate: Anhydrous Polymorphs, Hydrates, and Byproducts and Room Temperature Phosphorescence.","Inorganic chemistry","2016","55","17","8576","8586","10.1021/acs.inorgchem.6b01116","","","1.54178","CuKα","","0.0626","0.0525","","","0.13","0.1361","","","","","","1.028","","","","has coordinates","232880","2020-10-21","18:00:00",""
"4348338","4.792","0.001","7.148","0.0014","10.058","0.002","90","","99.48","0.03","90","","339.81","0.12","348","2","348","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Lead(II) acetate. polymorph beta","'Lead(II) acetate. beta polymorph '","","- C4 H6 O4 Pb -","- C4 H6 O4 Pb -","- C8 H12 O8 Pb2 -","2","0.5","","Martínez-Casado, Francisco J; Ramos-Riesco, Miguel; Rodríguez-Cheda, José A; Cucinotta, Fabio; Matesanz, Emilio; Miletto, Ivana; Gianotti, Enrica; Marchese, Leonardo; Matěj, Zdeněk","Unraveling the Decomposition Process of Lead(II) Acetate: Anhydrous Polymorphs, Hydrates, and Byproducts and Room Temperature Phosphorescence.","Inorganic chemistry","2016","55","17","8576","8586","10.1021/acs.inorgchem.6b01116","","","0.7513","Synchrotron","","0.0863","0.0841","","","0.2297","0.2325","","","","","","1.188","","","","has coordinates","232880","2020-10-21","18:00:00",""
"4348339","10.981","0.0006","10.0872","0.0004","15.4305","0.0007","90","","97.78","0.002","90","","1693.47","0.14","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","Tetralead(II) dioxo tetracetate","'Tetralead(II) dioxo tetracetate'","","- C8 H12 O10 Pb4 -","- C8 H12 O10 Pb4 -","- C32 H48 O40 Pb16 -","4","1","","Martínez-Casado, Francisco J; Ramos-Riesco, Miguel; Rodríguez-Cheda, José A; Cucinotta, Fabio; Matesanz, Emilio; Miletto, Ivana; Gianotti, Enrica; Marchese, Leonardo; Matěj, Zdeněk","Unraveling the Decomposition Process of Lead(II) Acetate: Anhydrous Polymorphs, Hydrates, and Byproducts and Room Temperature Phosphorescence.","Inorganic chemistry","2016","55","17","8576","8586","10.1021/acs.inorgchem.6b01116","","","1.54178","CuKα","","0.0477","0.0452","","","0.1206","0.1231","","","","","","1.035","","","","has coordinates","232880","2020-10-21","18:00:00",""
"4348340","24.394","0.006","6.792","0.0014","13.872","0.003","90","","106.28","0.03","90","","2206.2","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Tetralead(II) oxo hexacetate","'Tetralead(II) oxo hexacetate'","","- C12 H18 O13 Pb4 -","- C12 H18 O13 Pb4 -","- C48 H72 O52 Pb16 -","4","0.5","","Martínez-Casado, Francisco J; Ramos-Riesco, Miguel; Rodríguez-Cheda, José A; Cucinotta, Fabio; Matesanz, Emilio; Miletto, Ivana; Gianotti, Enrica; Marchese, Leonardo; Matěj, Zdeněk","Unraveling the Decomposition Process of Lead(II) Acetate: Anhydrous Polymorphs, Hydrates, and Byproducts and Room Temperature Phosphorescence.","Inorganic chemistry","2016","55","17","8576","8586","10.1021/acs.inorgchem.6b01116","","","0.7514","Synchrotron","","0.0819","0.0771","","","0.2312","0.2362","","","","","","1.142","","","","has coordinates,has disorder","232880","2020-10-21","18:00:00",""
"4348341","6.783","0.005","13.823","0.005","13.937","0.005","90","","90","","90","","1306.8","1.2","100","2","100","2","","","","","","","","4","P b a n :2","-P 2ab 2b","50","Tetralead(II) oxo hexacetate hydrate","'Tetralead(II) oxo hexacetate hydrate'","","- C12 H23 O15.5 Pb4 -","- C12 H18 O13 Pb4 -","- C24 H36 O26 Pb8 -","2","0.25","","Martínez-Casado, Francisco J; Ramos-Riesco, Miguel; Rodríguez-Cheda, José A; Cucinotta, Fabio; Matesanz, Emilio; Miletto, Ivana; Gianotti, Enrica; Marchese, Leonardo; Matěj, Zdeněk","Unraveling the Decomposition Process of Lead(II) Acetate: Anhydrous Polymorphs, Hydrates, and Byproducts and Room Temperature Phosphorescence.","Inorganic chemistry","2016","55","17","8576","8586","10.1021/acs.inorgchem.6b01116","","","0.8","synchrotron","","0.0696","0.069","","","0.1732","0.1741","","","","","","1.152","","","","has coordinates","232880","2020-10-21","18:00:00",""
"4348346","18.196","0.005","18.196","0.005","15.127","0.005","90","","90","","120","","4337","2","180","2","180","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C72 H64 Cd5 Cl10 N6 O20 -","- C72 H48 Cd5 Cl10 N6 O15 -","- C144 H96 Cd10 Cl20 N12 O30 -","2","0.166667","","Leroux, Maxime; Mercier, Nicolas; Allain, Magali; Dul, Marie-Claire; Dittmer, Jens; Kassiba, Abdel Hadi; Bellat, Jean-Pierre; Weber, Guy; Bezverkhyy, Igor","Porous Coordination Polymer Based on Bipyridinium Carboxylate Linkers with High and Reversible Ammonia Uptake.","Inorganic chemistry","2016","55","17","8587","8594","10.1021/acs.inorgchem.6b01119","","","1.54184","CuKα","","0.0439","0.0391","","","0.0972","0.1022","","","","","","1.089","","","","has coordinates","232883","2020-10-21","18:00:00",""
"4348359","30.353","0.009","4.8595","0.0013","18.323","0.005","90","","118.123","0.004","90","","2383.6","1.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H33 Cd N6 O8 -","- C21 H28 Cd N6 O8 -","- C84 H112 Cd4 N24 O32 -","4","1","","Lin, Xiao-Ming; Niu, Ji-Liang; Lin, Jia; Wei, Lei-Ming; Hu, Lei; Zhang, Gang; Cai, Yue-Peng","Lithium-Ion-Battery Anode Materials with Improved Capacity from a Metal-Organic Framework.","Inorganic chemistry","2016","55","17","8244","8247","10.1021/acs.inorgchem.6b01123","","","0.71073","MoKα","","0.0784","0.0684","","","0.1788","0.193","","","","","","1.027","","","","has coordinates","232885","2020-10-21","18:00:00",""
"4348360","14.29","0.0004","16.5673","0.0005","18.7158","0.0005","116.106","0.001","94.895","0.001","104.175","0.001","3761.66","0.19","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C104 H228 N16 O54 P12 Y4 -","- C104 H224 N16 O54 P12 Y4 -","- C104 H224 N16 O54 P12 Y4 -","1","0.5","","Le Fur, Mariane; Beyler, Maryline; Lepareur, Nicolas; Fougère, Olivier; Platas-Iglesias, Carlos; Rousseaux, Olivier; Tripier, Raphaël","Pyclen Tri-n-butylphosphonate Ester as Potential Chelator for Targeted Radiotherapy: From Yttrium(III) Complexation to (90)Y Radiolabeling.","Inorganic chemistry","2016","55","16","8003","8012","10.1021/acs.inorgchem.6b01135","","x-ray","0.71073","MoKα","","0.095","0.0562","","","0.1244","0.1422","","","","","","1.032","","","","has coordinates,has disorder","232886","2020-10-21","18:00:00",""
"4348361","14.2369","0.001","16.5506","0.0011","18.6914","0.0013","116.119","0.002","94.796","0.003","104.039","0.003","3743.6","0.5","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C52 H114 Ho2 N8 O27 P6 -","- C52 H112 Ho2 N8 O27 P6 -","- C104 H224 Ho4 N16 O54 P12 -","2","1","","Le Fur, Mariane; Beyler, Maryline; Lepareur, Nicolas; Fougère, Olivier; Platas-Iglesias, Carlos; Rousseaux, Olivier; Tripier, Raphaël","Pyclen Tri-n-butylphosphonate Ester as Potential Chelator for Targeted Radiotherapy: From Yttrium(III) Complexation to (90)Y Radiolabeling.","Inorganic chemistry","2016","55","16","8003","8012","10.1021/acs.inorgchem.6b01135","","x-ray","0.71073","MoKα","","0.0554","0.0367","","","0.0815","0.0914","","","","","","1.043","","","","has coordinates,has disorder","232886","2020-10-21","18:00:00",""
"4348362","14.2622","0.0013","16.5121","0.0015","18.6191","0.0016","115.848","0.003","95.323","0.003","104.167","0.003","3724.8","0.6","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C52 H114 Lu2 N8 O27 P6 -","- C52 H110 Lu2 N8 O27 P6 -","- C104 H220 Lu4 N16 O54 P12 -","2","1","","Le Fur, Mariane; Beyler, Maryline; Lepareur, Nicolas; Fougère, Olivier; Platas-Iglesias, Carlos; Rousseaux, Olivier; Tripier, Raphaël","Pyclen Tri-n-butylphosphonate Ester as Potential Chelator for Targeted Radiotherapy: From Yttrium(III) Complexation to (90)Y Radiolabeling.","Inorganic chemistry","2016","55","16","8003","8012","10.1021/acs.inorgchem.6b01135","","x-ray","0.71073","MoKα","","0.09","0.0589","","","0.148","0.1734","","","","","","1.023","","","","has coordinates,has disorder","232886","2020-10-21","18:00:00",""
"4348366","9.616","0.003","9.616","0.003","23.734","0.006","90","","90","","120","","1900.6","1","110","2","110","2","","","","","","","","5","P 61","P 61","169","","","","- C4 H12 I3 N Pb -","- C4 H12 I3 N Pb -","- C24 H72 I18 N6 Pb6 -","6","1","","Liu, Guangfeng; Liu, Jie; Sun, Zhihua; Zhang, Zhenyi; Chang, Lei; Wang, Junling; Tao, Xutang; Zhang, Qichun","Thermally Induced Reversible Double Phase Transitions in an Organic-Inorganic Hybrid Iodoplumbate C4H12NPbI3 with Symmetry Breaking.","Inorganic chemistry","2016","55","16","8025","8030","10.1021/acs.inorgchem.6b01143","","","0.71073","MoKα","","0.0519","0.0509","","","0.1404","0.1442","","","","","","1.006","","","","has coordinates","232889","2020-10-21","18:00:00",""
"4348367","9.6621","0.0016","15.84","0.003","9.6626","0.0016","90","","119.98","0.002","90","","1281","0.4","163","2","163","2","","","","","","","","5","P 1 m 1","P -2y","6","","","","- C8 H24 I6 N2 Pb2 -","- C8 H24.5 I6 N2 Pb2 -","- C16 H49 I12 N4 Pb4 -","2","1","","Liu, Guangfeng; Liu, Jie; Sun, Zhihua; Zhang, Zhenyi; Chang, Lei; Wang, Junling; Tao, Xutang; Zhang, Qichun","Thermally Induced Reversible Double Phase Transitions in an Organic-Inorganic Hybrid Iodoplumbate C4H12NPbI3 with Symmetry Breaking.","Inorganic chemistry","2016","55","16","8025","8030","10.1021/acs.inorgchem.6b01143","","","0.71073","MoKα","","0.0668","0.0664","","","0.1816","0.1821","","","","","","1.036","","","","has coordinates","232890","2020-10-21","18:00:00",""
"4348372","9.798","0.003","9.798","0.003","7.953","0.003","90","","90","","120","","661.2","0.4","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 I3 N Pb -","- C3 H9 I3 N Pb -","- C6 H18 I6 N2 Pb2 -","2","0.166667","","Liu, Guangfeng; Liu, Jie; Sun, Zhihua; Zhang, Zhenyi; Chang, Lei; Wang, Junling; Tao, Xutang; Zhang, Qichun","Thermally Induced Reversible Double Phase Transitions in an Organic-Inorganic Hybrid Iodoplumbate C4H12NPbI3 with Symmetry Breaking.","Inorganic chemistry","2016","55","16","8025","8030","10.1021/acs.inorgchem.6b01143","","","0.71073","MoKα","","0.031","0.0304","","","0.078","0.0787","","","","","","0.943","","","","has coordinates,has disorder","232892","2020-10-21","18:00:00",""
"4348375","15.5622","0.0008","21.2642","0.0006","12.4986","0.0006","90","","123.33","0.007","90","","3455.7","0.4","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H50 N2 Ni O6 -","- C38 H50 N2 Ni O6 -","- C152 H200 N8 Ni4 O24 -","4","0.5","","Ambrosi, Gianluca; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia","A Biphenol-Based Chemosensor for Zn(II) and Cd(II) Metal Ions: Synthesis, Potentiometric Studies, and Crystal Structures.","Inorganic chemistry","2016","55","15","7676","7687","10.1021/acs.inorgchem.6b01145","","","0.71073","MoKα","","0.0487","0.0356","","","0.0769","0.0843","","","","","","1.038","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348376","19.941","0.001","13.06","0.0005","12.834","0.007","90","","115.199","0.007","90","","3024.3","1.7","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 N2 Ni O6 -","- C32 H38 N2 Ni O6 -","- C128 H152 N8 Ni4 O24 -","4","0.5","","Ambrosi, Gianluca; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia","A Biphenol-Based Chemosensor for Zn(II) and Cd(II) Metal Ions: Synthesis, Potentiometric Studies, and Crystal Structures.","Inorganic chemistry","2016","55","15","7676","7687","10.1021/acs.inorgchem.6b01145","","","0.71073","MoKα","","0.0781","0.0483","","","0.0862","0.0962","","","","","","1.083","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348377","11.4735","0.0003","16.7897","0.0005","17.6792","0.0005","90","","90","","90","","3405.66","0.17","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 Cd N4 O6 -","- C36 H44 Cd N4 O6 -","- C144 H176 Cd4 N16 O24 -","4","1","","Ambrosi, Gianluca; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia","A Biphenol-Based Chemosensor for Zn(II) and Cd(II) Metal Ions: Synthesis, Potentiometric Studies, and Crystal Structures.","Inorganic chemistry","2016","55","15","7676","7687","10.1021/acs.inorgchem.6b01145","","","0.71073","MoKα","","0.0816","0.0502","","","0.0857","0.0974","","","","","","1.09","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348378","12.899","0.0005","9.9207","0.0004","23.3588","0.0009","90","","101.279","0.004","90","","2931.4","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H37 Cu N3 O5 -","- C33 H37 Cu N3 O5 -","- C132 H148 Cu4 N12 O20 -","4","1","","Ambrosi, Gianluca; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia","A Biphenol-Based Chemosensor for Zn(II) and Cd(II) Metal Ions: Synthesis, Potentiometric Studies, and Crystal Structures.","Inorganic chemistry","2016","55","15","7676","7687","10.1021/acs.inorgchem.6b01145","","","0.71073","MoKα","","0.0714","0.0462","","","0.1061","0.1199","","","","","","1.08","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348379","10.7317","0.0006","11.6234","0.0005","24.0265","0.0013","90","","102.803","0.005","90","","2922.5","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 N3 O5 Pd -","- C33 H37 N3 O5 Pd -","- C132 H148 N12 O20 Pd4 -","4","1","","Ambrosi, Gianluca; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia","A Biphenol-Based Chemosensor for Zn(II) and Cd(II) Metal Ions: Synthesis, Potentiometric Studies, and Crystal Structures.","Inorganic chemistry","2016","55","15","7676","7687","10.1021/acs.inorgchem.6b01145","","","0.71073","MoKα","","0.0676","0.0439","","","0.0899","0.1031","","","","","","1.037","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348384","11.376","0.0003","7.536","0.0002","11.38","0.0004","90","","101.335","0.002","90","","956.57","0.05","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 Co -","- C11 H15 Co -","- C44 H60 Co4 -","4","1","","Hamilton, Jeff A.; Pugh, Thomas; Johnson, Andrew L.; Kingsley, Andrew J.; Richards, Stephen P.","Cobalt(I) Olefin Complexes: Precursors for Metal-Organic Chemical Vapor Deposition of High Purity Cobalt Metal Thin Films.","Inorganic chemistry","2016","55","14","7141","7151","10.1021/acs.inorgchem.6b01146","","","0.71073","MoKα","","0.0517","0.0296","","","0.0519","0.0564","","","","","","1.038","","","","has coordinates","232896","2020-10-21","18:00:00",""
"4348385","34.656","0.0001","5.884","0.0003","24.169","0.0004","90","0.001","131.651","0.001","90","0.001","3682.6","0.2","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Co2 -","- C24 H26 Co2 -","- C192 H208 Co16 -","8","1","","Hamilton, Jeff A.; Pugh, Thomas; Johnson, Andrew L.; Kingsley, Andrew J.; Richards, Stephen P.","Cobalt(I) Olefin Complexes: Precursors for Metal-Organic Chemical Vapor Deposition of High Purity Cobalt Metal Thin Films.","Inorganic chemistry","2016","55","14","7141","7151","10.1021/acs.inorgchem.6b01146","","","0.71073","MoKα","","0.0434","0.0287","","","0.0645","0.0707","","","","","","1.022","","","","has coordinates,has disorder","232896","2020-10-21","18:00:00",""
"4348386","11.307","0.0002","7.325","0.0001","12.623","0.0003","90","","102.883","0.001","90","","1019.17","0.03","150","2","150","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H34 Co2 -","- C26 H34 Co2 -","- C52 H68 Co4 -","2","0.5","","Hamilton, Jeff A.; Pugh, Thomas; Johnson, Andrew L.; Kingsley, Andrew J.; Richards, Stephen P.","Cobalt(I) Olefin Complexes: Precursors for Metal-Organic Chemical Vapor Deposition of High Purity Cobalt Metal Thin Films.","Inorganic chemistry","2016","55","14","7141","7151","10.1021/acs.inorgchem.6b01146","","","0.71073","MoKα","","0.0345","0.0265","","","0.0607","0.0641","","","","","","1.067","","","","has coordinates","232896","2020-10-21","18:00:00",""
"4348397","21.0268","0.0003","21.0268","0.0003","26.4214","0.0006","90","","90","","120","","10116.6","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H42 Mg O22 U2 -","- C18 H42 Mg O22 U2 -","- C216 H504 Mg12 O264 U24 -","12","0.666667","","Serezhkin, Viktor N.; Grigoriev, Mikhail S.; Abdulmyanov, Aleksey R.; Fedoseev, Aleksandr M.; Savchenkov, Anton V.; Serezhkina, Larisa B.","Synthesis and X-ray Crystallography of [Mg(H2O)6][AnO2(C2H5COO)3]2 (An = U, Np, or Pu).","Inorganic chemistry","2016","55","15","7688","7693","10.1021/acs.inorgchem.6b01154","","","0.71073","MoKα","","0.0245","0.0184","","","0.0325","0.0336","","","","","","1.036","","","","has coordinates","232898","2020-10-21","18:00:00",""
"4348398","21.0085","0.0004","21.0085","","26.4223","0.0005","90","","90","","120","","10099.3","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H42 Mg Np2 O22 -","- C18 H42 Mg Np2 O22 -","- C216 H504 Mg12 Np24 O264 -","12","0.666667","","Serezhkin, Viktor N.; Grigoriev, Mikhail S.; Abdulmyanov, Aleksey R.; Fedoseev, Aleksandr M.; Savchenkov, Anton V.; Serezhkina, Larisa B.","Synthesis and X-ray Crystallography of [Mg(H2O)6][AnO2(C2H5COO)3]2 (An = U, Np, or Pu).","Inorganic chemistry","2016","55","15","7688","7693","10.1021/acs.inorgchem.6b01154","","","0.71073","MoKα","","0.0418","0.0285","","","0.0474","0.051","","","","","","1.02","","","","has coordinates","232898","2020-10-21","18:00:00",""
"4348399","21.0029","0.0002","21.0029","0.0002","26.432","0.0005","90","","90","","120","","10097.6","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H42 Mg O22 Pu2 -","- C18 H42 Mg O22 Pu2 -","- C216 H504 Mg12 O264 Pu24 -","12","0.666667","","Serezhkin, Viktor N.; Grigoriev, Mikhail S.; Abdulmyanov, Aleksey R.; Fedoseev, Aleksandr M.; Savchenkov, Anton V.; Serezhkina, Larisa B.","Synthesis and X-ray Crystallography of [Mg(H2O)6][AnO2(C2H5COO)3]2 (An = U, Np, or Pu).","Inorganic chemistry","2016","55","15","7688","7693","10.1021/acs.inorgchem.6b01154","","","0.71073","MoKα","","0.025","0.0198","","","0.0375","0.0391","","","","","","1.017","","","","has coordinates","232898","2020-10-21","18:00:00",""
"4348402","23.101","0.0011","12.7869","0.0006","29.6524","0.0014","90","","90","","90","","8759","0.7","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H26 Br2 N Ni O P -","- C19 H26 Br2 N Ni O P -","- C304 H416 Br32 N16 Ni16 O16 P16 -","16","2","","Jongbloed, Linda S.; García-López, Diego; van Heck, Richard; Siegler, Maxime A.; Carbó, Jorge J; van der Vlugt, Jarl Ivar","Arene C(sp(2))-H Metalation at Ni(II) Modeled with a Reactive PONCPh Ligand.","Inorganic chemistry","2016","55","16","8041","8047","10.1021/acs.inorgchem.6b01162","","","0.71073","MoKα","","0.0501","0.0303","","","0.0547","0.0619","","","","","","1.092","","","","has coordinates","232901","2020-10-21","18:00:00",""
"4348403","7.8324","0.0005","12.702","0.0008","22.4682","0.0015","90","","90","","90","","2235.3","0.2","150","2","150","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 B Br F4 N Ni O P -","- C19 H26 B Br F4 N Ni O P -","- C76 H104 B4 Br4 F16 N4 Ni4 O4 P4 -","4","1","","Jongbloed, Linda S.; García-López, Diego; van Heck, Richard; Siegler, Maxime A.; Carbó, Jorge J; van der Vlugt, Jarl Ivar","Arene C(sp(2))-H Metalation at Ni(II) Modeled with a Reactive PONCPh Ligand.","Inorganic chemistry","2016","55","16","8041","8047","10.1021/acs.inorgchem.6b01162","","","0.71073","MoKα","","0.0516","0.0434","","","0.0901","0.0947","","","","","","1.131","","","","has coordinates,has disorder","232902","2020-10-21","18:00:00",""
"4348412","10.3975","0.0003","31.1662","0.001","12.4348","0.0004","90","","103.285","0.001","90","","3921.7","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 Br N Ni O P -","- C19 H25 Br N Ni O P -","- C152 H200 Br8 N8 Ni8 O8 P8 -","8","2","","Jongbloed, Linda S.; García-López, Diego; van Heck, Richard; Siegler, Maxime A.; Carbó, Jorge J; van der Vlugt, Jarl Ivar","Arene C(sp(2))-H Metalation at Ni(II) Modeled with a Reactive PONCPh Ligand.","Inorganic chemistry","2016","55","16","8041","8047","10.1021/acs.inorgchem.6b01162","","","0.71073","MoKα","","0.082","0.0421","","","0.0706","0.0809","","","","","","0.99","","","","has coordinates","232904","2020-10-21","18:00:00",""
"4348421","8.8801","0.0015","13.671","0.002","19.655","0.003","90","","97.227","0.003","90","","2367.2","0.6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H25 F6 N4 O6 P S2 -","- C16 H25 F6 N4 O6 P S2 -","- C64 H100 F24 N16 O24 P4 S8 -","4","0.5","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.1089","0.0778","","","0.1722","0.1934","","","","","","1.059","","","","has coordinates,has disorder","232907","2020-10-21","18:00:00",""
"4348424","20.0956","0.0007","20.0956","0.0007","18.3456","0.0007","90","","90","","90","","7408.6","0.5","173","2","173","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C18 H20 Br N4 P -","- C18 H20 Br N4 P -","- C288 H320 Br16 N64 P16 -","16","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0374","0.0258","","","0.0494","0.0535","","","","","","1.059","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348427","9.6887","0.0008","29.759","0.003","11.3473","0.0009","90","","92.616","0.002","90","","3268.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 B N4 P -","- C38 H44 B N4 P -","- C152 H176 B4 N16 P4 -","4","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0973","0.0684","","","0.1201","0.1298","","","","","","1.155","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348428","20.788","0.0016","12.8659","0.0007","14.3885","0.0009","90","","90","","90","","3848.3","0.4","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H24 Br N4 P S2 -","- C14 H24 Br N4 P S2 -","- C112 H192 Br8 N32 P8 S16 -","8","0.5","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0549","0.0347","","","0.0643","0.07","","","","","","1.024","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348438","8.2808","0.0006","14.1563","0.001","21.9892","0.0017","90","","99.477","0.002","90","","2542.5","0.3","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 F6 N4 O6 P S2 -","- C17 H27 F6 N4 O6 P S2 -","- C68 H108 F24 N16 O24 P4 S8 -","4","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0795","0.0525","","","0.1194","0.1359","","","","","","1.096","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348439","15.5193","0.0003","15.7336","0.0003","17.1506","0.0003","90","","90","","90","","4187.74","0.14","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H20 F3 N4 O3 P S -","- C19 H20 F3 N4 O3 P S -","- C152 H160 F24 N32 O24 P8 S8 -","8","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","1.54178","CuKα","","0.0714","0.0509","","","0.1273","0.1418","","","","","","1.026","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348440","12.1188","0.0009","12.1188","0.0009","12.1188","0.0009","98.79","","98.79","","98.79","","1709.8","0.2","173","2","173","2","","","","","","","","5","R 3 :R","P 3*","146","","","","- C18.67 H33 Br N4.33 P -","- C18.6667 H32.9999 Br N4.33333 P -","- C56 H98.9997 Br3 N13 P3 -","3","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.06","0.0484","","","0.0732","0.0779","","","","","","0.965","","","","has coordinates","232917","2020-10-21","18:00:00",""
"4348441","25.2148","0.0014","15.1025","0.0009","16.1781","0.0009","90","","95.422","0.001","90","","6133.2","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H37 Au3 Cl5 N4 O1.5 P -","- C20.5 H37 Au3 Cl5 N4 O1.5 P -","- C164 H296 Au24 Cl40 N32 O12 P8 -","8","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0445","0.0294","","","0.0612","0.067","","","","","","1.048","","","","has coordinates","232919","2020-10-21","18:00:00",""
"4348442","7.7142","0.0004","17.3166","0.0007","17.257","0.0008","90","","90","","90","","2305.25","0.19","173","2","173","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C20 H23 I N5 P S2 -","- C20 H24 I N5 P S2 -","- C80 H96 I4 N20 P4 S8 -","4","0.5","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0216","0.0208","","","0.0546","0.0556","","","","","","1.064","","","","has coordinates","232921","2020-10-21","18:00:00",""
"4348443","16.6369","0.0006","14.6559","0.0006","16.2198","0.0006","90","","106.458","0.001","90","","3792.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 I N4 P -","- C18 H20 I N4 P -","- C144 H160 I8 N32 P8 -","8","2","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0279","0.0232","","","0.0547","0.0579","","","","","","1.048","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348444","9.631","0.0005","11.6495","0.0007","21.6719","0.0012","90","","102.066","0.002","90","","2377.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 I2 N5 P -","- C20 H24 I2 N5 P -","- C80 H96 I8 N20 P4 -","4","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0271","0.0221","","","0.0494","0.0513","","","","","","1.074","","","","has coordinates","232925","2020-10-21","18:00:00",""
"4348445","6.9633","0.0003","12.1035","0.0005","22.865","0.0008","90","","98.128","0.001","90","","1907.71","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 Br N5 P -","- C16 H27 Br N5 P -","- C64 H108 Br4 N20 P4 -","4","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0342","0.0242","","","0.0579","0.0628","","","","","","1.039","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348446","12.3507","0.0006","17.0313","0.0008","12.0847","0.0006","90","","100.871","0.002","90","","2496.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 Br N4 P -","- C22 H40 Br N4 P -","- C88 H160 Br4 N16 P4 -","4","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","1.54178","CuKα","","0.0333","0.0299","","","0.0734","0.0763","","","","","","1.057","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348447","11.4611","0.0005","13.1524","0.0005","13.2357","0.0006","100.725","0.002","93.311","0.002","92.065","0.002","1954.81","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H46 Au B Cl3 N4 P -","- C39 H46 Au B Cl3 N4 P -","- C78 H92 Au2 B2 Cl6 N8 P2 -","2","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0349","0.0243","","","0.0406","0.0433","","","","","","1.065","","","","has coordinates","232931","2020-10-21","18:00:00",""
"4348448","10.382","0.0006","11.9178","0.0007","13.2672","0.0007","73.322","0.002","69.938","0.002","89.165","0.002","1470.66","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H39 Br N5 P -","- C28 H39 Br N5 P -","- C56 H78 Br2 N10 P2 -","2","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0412","0.0341","","","0.0874","0.0917","","","","","","1.029","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348449","8.0203","0.0004","13.807","0.0006","13.9727","0.0006","103.508","0.002","105.014","0.002","98.757","0.002","1415.34","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H24 F6 N5 O6 P S2 -","- C22 H24 F6 N5 O6 P S2 -","- C44 H48 F12 N10 O12 P2 S4 -","2","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","1.54178","CuKα","","0.0582","0.0509","","","0.1384","0.1455","","","","","","1.084","","","","has coordinates,has disorder","232935","2020-10-21","18:00:00",""
"4348450","12.5586","0.0009","14.5318","0.0013","12.9162","0.0012","90","","94.823","0.003","90","","2348.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22.72 H29.07 Br N4.36 P -","- C22.716 H29.074 Br N4.358 P -","- C90.864 H116.296 Br4 N17.432 P4 -","4","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0466","0.0371","","","0.0918","0.0978","","","","","","1.036","","","","has coordinates","232937","2020-10-21","18:00:00",""
"4348451","19.4209","0.0012","15.6957","0.0009","16.2513","0.001","90","","106.784","0.0007","90","","4742.8","0.5","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 N2 Ni P2 S4 W -","- C54 H48 N2 Ni P2 S4 W -","- C216 H192 N8 Ni4 P8 S16 W4 -","4","1","","Rosenkoetter, Kyle E.; Ziller, Joseph W.; Heyduk, Alan F.","A Heterobimetallic W-Ni Complex Containing a Redox-Active W[SNS]2 Metalloligand.","Inorganic chemistry","2016","55","13","6794","6798","10.1021/acs.inorgchem.6b01164","","","0.71073","MoKα","","0.0231","0.0199","","","0.0444","0.0455","","","","","","1.041","","","","has coordinates","232939","2020-10-21","18:00:00",""
"4348452","6.3414","0.0006","7.2406","0.0007","12.0472","0.001","90.203","0.006","96.239","0.007","103.604","0.007","534.21","0.09","20","2","20","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","1","0.5","","Ogura, Satomi; Idobata, Yuki; Zhou, Biao; Kobayashi, Akiko; Takagi, Rina; Miyagawa, Kazuya; Kanoda, Kazushi; Kasai, Hidetaka; Nishibori, Eiji; Satoko, Chikatoshi; Delley, Bernard","Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)2].","Inorganic chemistry","2016","55","15","7709","7716","10.1021/acs.inorgchem.6b01166","","","0.4136","synchrotron","","0.1263","0.08","","","0.195","0.2314","","","","","","1.026","","","","has coordinates","232942","2020-10-21","18:00:00",""
"4348453","6.3609","0.0006","7.2892","0.0007","12.0695","0.001","90.379","0.006","96.298","0.007","103.663","0.007","540.19","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","1","0.5","","Ogura, Satomi; Idobata, Yuki; Zhou, Biao; Kobayashi, Akiko; Takagi, Rina; Miyagawa, Kazuya; Kanoda, Kazushi; Kasai, Hidetaka; Nishibori, Eiji; Satoko, Chikatoshi; Delley, Bernard","Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)2].","Inorganic chemistry","2016","55","15","7709","7716","10.1021/acs.inorgchem.6b01166","","","0.4136","synchrotron","","0.1277","0.0776","","","0.1923","0.2323","","","","","","1.049","","","","has coordinates","232944","2020-10-21","18:00:00",""
"4348454","6.3433","0.0006","7.2487","0.0007","12.0472","0.001","90.256","0.006","96.25","0.007","103.62","0.007","534.9","0.09","70","2","70","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","1","0.5","","Ogura, Satomi; Idobata, Yuki; Zhou, Biao; Kobayashi, Akiko; Takagi, Rina; Miyagawa, Kazuya; Kanoda, Kazushi; Kasai, Hidetaka; Nishibori, Eiji; Satoko, Chikatoshi; Delley, Bernard","Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)2].","Inorganic chemistry","2016","55","15","7709","7716","10.1021/acs.inorgchem.6b01166","","","0.4136","synchrotron","","0.1295","0.0825","","","0.1993","0.2353","","","","","","1.026","","","","has coordinates","232946","2020-10-21","18:00:00",""
"4348455","6.3704","0.0006","7.3181","0.0007","12.0808","0.001","90.468","0.006","96.332","0.007","103.677","0.007","543.55","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","1","0.5","","Ogura, Satomi; Idobata, Yuki; Zhou, Biao; Kobayashi, Akiko; Takagi, Rina; Miyagawa, Kazuya; Kanoda, Kazushi; Kasai, Hidetaka; Nishibori, Eiji; Satoko, Chikatoshi; Delley, Bernard","Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)2].","Inorganic chemistry","2016","55","15","7709","7716","10.1021/acs.inorgchem.6b01166","","","0.4136","synchrotron","","0.1095","0.069","","","0.181","0.2165","","","","","","1.04","","","","has coordinates","232948","2020-10-21","18:00:00",""
"4348456","6.3499","0.0006","7.2662","0.0007","12.054","0.001","90.32","0.006","96.272","0.007","103.64","0.007","536.96","0.09","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","1","0.5","","Ogura, Satomi; Idobata, Yuki; Zhou, Biao; Kobayashi, Akiko; Takagi, Rina; Miyagawa, Kazuya; Kanoda, Kazushi; Kasai, Hidetaka; Nishibori, Eiji; Satoko, Chikatoshi; Delley, Bernard","Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)2].","Inorganic chemistry","2016","55","15","7709","7716","10.1021/acs.inorgchem.6b01166","","","0.4136","synchrotron","","0.1353","0.0822","","","0.2001","0.2424","","","","","","1.036","","","","has coordinates","232951","2020-10-21","18:00:00",""
"4348457","12.1689","0.0015","16.751","0.003","17.717","0.003","59.216","0.007","70.907","0.01","75.105","0.01","2914","0.8","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H84 N2 Pd S12 -","- C50 H84 N2 Pd S12 -","- C100 H168 N4 Pd2 S24 -","2","1","","Ogura, Satomi; Idobata, Yuki; Zhou, Biao; Kobayashi, Akiko; Takagi, Rina; Miyagawa, Kazuya; Kanoda, Kazushi; Kasai, Hidetaka; Nishibori, Eiji; Satoko, Chikatoshi; Delley, Bernard","Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)2].","Inorganic chemistry","2016","55","15","7709","7716","10.1021/acs.inorgchem.6b01166","","","0.71075","MoKα","","","0.0538","","","","0.0739","","","","","","1.129","","","","has coordinates","232953","2020-10-21","18:00:00",""
"4348458","6.3883","0.0006","7.3796","0.0007","12.0993","0.001","90.645","0.006","96.41","0.007","103.684","0.007","550.32","0.09","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","1","0.5","","Ogura, Satomi; Idobata, Yuki; Zhou, Biao; Kobayashi, Akiko; Takagi, Rina; Miyagawa, Kazuya; Kanoda, Kazushi; Kasai, Hidetaka; Nishibori, Eiji; Satoko, Chikatoshi; Delley, Bernard","Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)2].","Inorganic chemistry","2016","55","15","7709","7716","10.1021/acs.inorgchem.6b01166","","","0.4136","synchrotron","","0.1303","0.0998","","","0.2552","0.2924","","","","","","1.097","","","","has coordinates","232955","2020-10-21","18:00:00",""
"4348459","20.07","0.03","12.235","0.016","20.36","0.03","90","","90","","90","","5000","12","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H31 N3 O3 -","- C29 H31 N3 O3 -","- C232 H248 N24 O24 -","8","1","","Sinha, Sanghamitra; Chowdhury, Bijit; Ghosh, Pradyut","A Highly Sensitive ESIPT-Based Ratiometric Fluorescence Sensor for Selective Detection of Al(3.).","Inorganic chemistry","2016","55","18","9212","9220","10.1021/acs.inorgchem.6b01170","","","0.71073","MoKα","","0.0808","0.0455","","","0.1204","0.1477","","","","","","0.96","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348460","11.4466","0.0001","11.4466","0.0001","14.7076","0.0002","90","","90","","90","","1927.06","0.04","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C11 H13 Cu3 N9 O7 -","- C11 H13 Cu3 N9 O7 -","- C44 H52 Cu12 N36 O28 -","4","0.5","","Ahmed, Basil M.; Mezei, Gellert","From Ordinary to Extraordinary: Insights into the Formation Mechanism and pH-Dependent Assembly/Disassembly of Nanojars.","Inorganic chemistry","2016","55","15","7717","7728","10.1021/acs.inorgchem.6b01172","","","0.71073","MoKα","","0.0573","0.0284","","","0.0579","0.0663","","","","","","1.03","","","","has coordinates,has disorder","232960","2020-10-21","18:00:00",""
"4348461","10.141","0.0008","11.2575","0.0009","29.7","0.003","90","","90.815","0.003","90","","3390.3","0.5","120","2","120","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 Cl2 F2 Ir N3 O8 S2 -","- C33 H28 Cl2 F2 Ir N3 O8 S2 -","- C132 H112 Cl8 F8 Ir4 N12 O32 S8 -","4","1","","Benjamin, Helen; Zheng, Yonghao; Batsanov, Andrei S.; Fox, Mark A.; Al-Attar, Hameed A; Monkman, Andrew P.; Bryce, Martin R.","Sulfonyl-Substituted Heteroleptic Cyclometalated Iridium(III) Complexes as Blue Emitters for Solution-Processable Phosphorescent Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","17","8612","8627","10.1021/acs.inorgchem.6b01179","","","0.71073","MoKα","","0.0682","0.0419","","","0.0782","0.085","","","","","","1.035","","","","has coordinates,has disorder","232962","2020-10-21","18:00:00",""
"4348462","14.6522","0.0009","15.5667","0.001","15.8059","0.001","92.497","0.003","106.093","0.002","117.601","0.002","3006.4","0.3","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H60 Cl8 Ir N3 O10 S2 -","- C56 H60 Cl8 Ir N3 O10 S2 -","- C112 H120 Cl16 Ir2 N6 O20 S4 -","2","1","","Benjamin, Helen; Zheng, Yonghao; Batsanov, Andrei S.; Fox, Mark A.; Al-Attar, Hameed A; Monkman, Andrew P.; Bryce, Martin R.","Sulfonyl-Substituted Heteroleptic Cyclometalated Iridium(III) Complexes as Blue Emitters for Solution-Processable Phosphorescent Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","17","8612","8627","10.1021/acs.inorgchem.6b01179","","x-ray","0.71073","MoKα","","0.0731","0.0601","","","0.147","0.1588","","","","","","1.057","","","","has coordinates,has disorder","232963","2020-10-21","18:00:00",""
"4348463","16.9904","0.0008","28.4675","0.0013","11.4762","0.0005","90","","90","","90","","5550.7","0.4","120","","120","","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C50.75 H45 Cl5.5 F4 Ir N3 O6 S2 -","- C50.75 H45 Cl5.5 F4 Ir N3 O6 S2 -","- C203 H180 Cl22 F16 Ir4 N12 O24 S8 -","4","1","","Benjamin, Helen; Zheng, Yonghao; Batsanov, Andrei S.; Fox, Mark A.; Al-Attar, Hameed A; Monkman, Andrew P.; Bryce, Martin R.","Sulfonyl-Substituted Heteroleptic Cyclometalated Iridium(III) Complexes as Blue Emitters for Solution-Processable Phosphorescent Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","17","8612","8627","10.1021/acs.inorgchem.6b01179","","x-ray","0.71073","MoKα","","0.0561","0.0412","","","0.0868","0.0915","","","","","","1.067","","","","has coordinates,has disorder","232965","2020-10-21","18:00:00",""
"4348464","11.46263","0.00011","14.29072","0.00018","15.965","0.0002","65.7876","0.0012","84.0866","0.0009","86.4923","0.001","2371.95","0.05","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C45 H34 Cl6 F4 Ir N3 O6 S2 -","- C45 H34 Cl6 F4 Ir N3 O6 S2 -","- C90 H68 Cl12 F8 Ir2 N6 O12 S4 -","2","1","","Benjamin, Helen; Zheng, Yonghao; Batsanov, Andrei S.; Fox, Mark A.; Al-Attar, Hameed A; Monkman, Andrew P.; Bryce, Martin R.","Sulfonyl-Substituted Heteroleptic Cyclometalated Iridium(III) Complexes as Blue Emitters for Solution-Processable Phosphorescent Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","17","8612","8627","10.1021/acs.inorgchem.6b01179","","","0.71073","MoKα","","0.0409","0.0343","","","0.0817","0.0858","","","","","","1.084","","","","has coordinates,has disorder","232967","2020-10-21","18:00:00",""
"4348465","11.0019","0.0008","28.092","0.003","10.2244","0.0009","90","","113.559","0.009","90","","2896.6","0.5","120","2","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 F4 Ir N3 O6 S2 -","- C30 H20 F4 Ir N3 O6 S2 -","- C120 H80 F16 Ir4 N12 O24 S8 -","4","1","","Benjamin, Helen; Zheng, Yonghao; Batsanov, Andrei S.; Fox, Mark A.; Al-Attar, Hameed A; Monkman, Andrew P.; Bryce, Martin R.","Sulfonyl-Substituted Heteroleptic Cyclometalated Iridium(III) Complexes as Blue Emitters for Solution-Processable Phosphorescent Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","17","8612","8627","10.1021/acs.inorgchem.6b01179","","x-ray","0.71073","MoKα","K-L~3~","0.0484","0.0306","","","0.0625","0.0665","","","","","","0.903","","","","has coordinates","232969","2020-10-21","18:00:00",""
"4348466","12.6275","0.0005","15.3636","0.0005","18.6894","0.0007","90","","101.004","0.008","90","","3559.2","0.2","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 F2 Ir N4 O10 S4 -","- C34 H29 F2 Ir N4 O10 S4 -","- C136 H116 F8 Ir4 N16 O40 S16 -","4","1","","Benjamin, Helen; Zheng, Yonghao; Batsanov, Andrei S.; Fox, Mark A.; Al-Attar, Hameed A; Monkman, Andrew P.; Bryce, Martin R.","Sulfonyl-Substituted Heteroleptic Cyclometalated Iridium(III) Complexes as Blue Emitters for Solution-Processable Phosphorescent Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","17","8612","8627","10.1021/acs.inorgchem.6b01179","","x-ray","0.71073","MoKα","","0.0647","0.0465","","","0.1065","0.1137","","","","","","1.075","","","","has coordinates,has disorder","232970","2020-10-21","18:00:00",""
"4348467","11.5015","0.0004","32.2402","0.0012","14.441","0.0005","90","","93.375","0.001","90","","5345.6","0.3","120","","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56.85 H44.4 Cl4 F5 Ir N3 O7.85 S3 -","- C56.85 H44.4 Cl4 F5 Ir N3 O7.85 S3 -","- C227.4 H177.6 Cl16 F20 Ir4 N12 O31.4 S12 -","4","1","","Benjamin, Helen; Zheng, Yonghao; Batsanov, Andrei S.; Fox, Mark A.; Al-Attar, Hameed A; Monkman, Andrew P.; Bryce, Martin R.","Sulfonyl-Substituted Heteroleptic Cyclometalated Iridium(III) Complexes as Blue Emitters for Solution-Processable Phosphorescent Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","17","8612","8627","10.1021/acs.inorgchem.6b01179","","x-ray","0.71073","MoKα","","0.0603","0.0387","","","0.0888","0.0964","","","","","","0.977","","","","has coordinates,has disorder","232972","2020-10-21","18:00:00",""
"4348468","11.757","0.002","13.151","0.003","23.887","0.005","75.901","0.003","78.727","0.003","72.84","0.003","3392","1.2","100","","100","","","","","","","","","9","P -1","-P 1","2","","JG-1-208","","- C20 H34 Cl2 Co N Na O9 Pt S5 -","- C20 H34 Cl2 Co N Na O9 Pt S5 -","- C80 H136 Cl8 Co4 N4 Na4 O36 Pt4 S20 -","4","2","","Guillet, Jesse L.; Bhowmick, Indrani; Shores, Matthew P.; Daley, Christopher J. A.; Gembicky, Milan; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thiocyanate-Ligated Heterobimetallic {PtM} Lantern Complexes Including a Ferromagnetically Coupled 1D Coordination Polymer.","Inorganic chemistry","2016","55","16","8099","8109","10.1021/acs.inorgchem.6b01182","","x-ray","0.71073","MoKα","K-L~3~","0.0367","0.0243","","","0.047","0.0512","","","","","","1.033","","","","has coordinates,has disorder","232975","2020-10-21","18:00:00",""
"4348469","11.8679","0.0003","12.0344","0.0005","13.1456","0.0004","75.17","0.0016","72.778","0.0013","78.416","0.0016","1717.62","0.1","200","2","200.15","","","","","","","","","9","P -1","-P 1","2","","","","- C20 H34 Cl2 N Na Ni O9 Pt S5 -","- C20 H34 Cl2 N Na Ni O9 Pt S5 -","- C40 H68 Cl4 N2 Na2 Ni2 O18 Pt2 S10 -","2","1","","Guillet, Jesse L.; Bhowmick, Indrani; Shores, Matthew P.; Daley, Christopher J. A.; Gembicky, Milan; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thiocyanate-Ligated Heterobimetallic {PtM} Lantern Complexes Including a Ferromagnetically Coupled 1D Coordination Polymer.","Inorganic chemistry","2016","55","16","8099","8109","10.1021/acs.inorgchem.6b01182","","x-ray","0.71073","MoKα","","0.044","0.0421","","","0.1143","0.1163","","","","","","1.039","","","","has coordinates,has disorder","232975","2020-10-21","18:00:00",""
"4348470","11.8803","0.0008","12.0317","0.0008","13.1799","0.0006","75.236","0.002","72.781","0.001","78.363","0.001","1723.75","0.18","173","2","173.15","","","","","","","","","9","P -1","-P 1","2","","","","- C20 H34 Cl2 N Na O9 Pt S5 Zn -","- C20 H34 Cl2 N Na O9 Pt S5 Zn -","- C40 H68 Cl4 N2 Na2 O18 Pt2 S10 Zn2 -","2","1","","Guillet, Jesse L.; Bhowmick, Indrani; Shores, Matthew P.; Daley, Christopher J. A.; Gembicky, Milan; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thiocyanate-Ligated Heterobimetallic {PtM} Lantern Complexes Including a Ferromagnetically Coupled 1D Coordination Polymer.","Inorganic chemistry","2016","55","16","8099","8109","10.1021/acs.inorgchem.6b01182","","x-ray","0.71073","MoKα","","0.0457","0.0373","","","0.0912","0.0972","","","","","","1.029","","","","has coordinates,has disorder","232975","2020-10-21","18:00:00",""
"4348471","27.668","0.0019","14.512","0.001","30.291","0.0019","90","","90.231","0.002","90","","12162.3","1.4","100","","100.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 Co N Na O13 Pt S5 -","- C28 H50 Co N Na O13 Pt S5 -","- C336 H600 Co12 N12 Na12 O156 Pt12 S60 -","12","3","","Guillet, Jesse L.; Bhowmick, Indrani; Shores, Matthew P.; Daley, Christopher J. A.; Gembicky, Milan; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thiocyanate-Ligated Heterobimetallic {PtM} Lantern Complexes Including a Ferromagnetically Coupled 1D Coordination Polymer.","Inorganic chemistry","2016","55","16","8099","8109","10.1021/acs.inorgchem.6b01182","","x-ray","0.71073","MoKα","","0.0511","0.0462","","","0.1016","0.1042","","","","","","1.021","","","","has coordinates,has disorder","232975","2020-10-21","18:00:00",""
"4348472","14.4802","0.0015","30.199","0.003","27.641","0.003","90","","90","","90","","12087","2","148","2","148.15","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C28 H50 N Na Ni O13 Pt S5 -","- C28 H50 N Na Ni O13 Pt S5 -","- C336 H600 N12 Na12 Ni12 O156 Pt12 S60 -","12","3","","Guillet, Jesse L.; Bhowmick, Indrani; Shores, Matthew P.; Daley, Christopher J. A.; Gembicky, Milan; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thiocyanate-Ligated Heterobimetallic {PtM} Lantern Complexes Including a Ferromagnetically Coupled 1D Coordination Polymer.","Inorganic chemistry","2016","55","16","8099","8109","10.1021/acs.inorgchem.6b01182","","","0.71073","MoKα","","0.0689","0.0489","","","0.1244","0.1508","","","","","","1.126","","","","has coordinates,has disorder","232975","2020-10-21","18:00:00",""
"4348473","14.5504","0.0012","30.376","0.003","27.77","0.002","90","","90","","90","","12273.9","1.8","148","2","148.15","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C28 H49.83 N Na O13 Pt S5 Zn -","- C28 H49.8367 N Na O13 Pt S5 Zn -","- C336 H598.04 N12 Na12 O156 Pt12 S60 Zn12 -","12","3","","Guillet, Jesse L.; Bhowmick, Indrani; Shores, Matthew P.; Daley, Christopher J. A.; Gembicky, Milan; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thiocyanate-Ligated Heterobimetallic {PtM} Lantern Complexes Including a Ferromagnetically Coupled 1D Coordination Polymer.","Inorganic chemistry","2016","55","16","8099","8109","10.1021/acs.inorgchem.6b01182","","","0.71073","MoKα","","0.0395","0.0325","","","0.0705","0.0741","","","","","","1.056","","","","has coordinates,has disorder","232975","2020-10-21","18:00:00",""
"4348474","11.1403","0.0016","17.335","0.003","15.525","0.002","90","","93.522","0.008","90","","2992.5","0.8","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Cr N O4 Pt S5 -","- C29 H20 Cr N O4 Pt S5 -","- C116 H80 Cr4 N4 O16 Pt4 S20 -","4","1","","Guillet, Jesse L.; Bhowmick, Indrani; Shores, Matthew P.; Daley, Christopher J. A.; Gembicky, Milan; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thiocyanate-Ligated Heterobimetallic {PtM} Lantern Complexes Including a Ferromagnetically Coupled 1D Coordination Polymer.","Inorganic chemistry","2016","55","16","8099","8109","10.1021/acs.inorgchem.6b01182","","x-ray","0.71073","MoKα","","0.052","0.0336","","","0.0598","0.0638","","","","","","1.003","","","","has coordinates","232975","2020-10-21","18:00:00",""
"4348475","7.3768","0.0004","12.0798","0.0007","15.1667","0.0009","93.531","0.003","89.979","0.004","107.76","0.003","1284.41","0.13","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H30 B Cl F4 N2 O Pd -","- C22 H30 B0.999 Cl F3.996 N2 O Pd -","- C44 H60 B1.998 Cl2 F7.992 N4 O2 Pd2 -","2","1","","Broere, Daniël L J; van Leest, Nicolaas P.; de Bruin, Bas; Siegler, Maxime A.; van der Vlugt, Jarl Ivar","Reversible Redox Chemistry and Catalytic C(sp(3))-H Amination Reactivity of a Paramagnetic Pd Complex Bearing a Redox-Active o-Aminophenol-Derived NNO Pincer Ligand.","Inorganic chemistry","2016","55","17","8603","8611","10.1021/acs.inorgchem.6b01192","","","0.71073","MoKα","","0.0518","0.0339","","","0.0628","0.0679","","","","","","1.015","","","","has coordinates,has disorder","232978","2020-10-21","18:00:00",""
"4348476","10.4015","0.0017","11.5188","0.0019","12.28","0.002","89.149","0.002","80.014","0.002","67.328","0.002","1334.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H30 B2 Fe N12 O -","- C23 H30 B2 Fe N12 O -","- C46 H60 B4 Fe2 N24 O2 -","2","1","","Luo, Yang-Hui; Nihei, Masayuki; Wen, Gao-Ju; Sun, Bai-Wang; Oshio, Hiroki","Ambient-Temperature Spin-State Switching Achieved by Protonation of the Amino Group in [Fe(H2Bpz2)2(bipy-NH2)].","Inorganic chemistry","2016","55","16","8147","8152","10.1021/acs.inorgchem.6b01193","","","0.71073","MoKα","","0.043","0.0332","","","0.0753","0.0785","","","","","","1.006","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348477","14.5262","0.001","8.1591","0.0006","14.4769","0.001","90","","100.438","0.004","90","","1687.4","0.2","294","2","294.64","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N Se2 -","- C17 H21 N Se2 -","- C68 H84 N4 Se8 -","4","1","","Charette, Bronte J.; Ritch, Jamie S.","A Selenium-Containing Diarylamido Pincer Ligand: Synthesis and Coordination Chemistry with Group 10 Metals.","Inorganic chemistry","2016","55","12","6344","6350","10.1021/acs.inorgchem.6b01203","","","0.71073","MoKα","","0.057","0.0335","","","0.0727","0.0822","","","","","","1.057","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348478","31.4104","0.0017","8.4136","0.0005","17.2474","0.001","90","","121.645","0.003","90","","3880.3","0.4","295","2","295.52","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 Cl2 N Pd Se2 -","- C17 H21 Cl2 N Pd Se2 -","- C136 H168 Cl16 N8 Pd8 Se16 -","8","1","","Charette, Bronte J.; Ritch, Jamie S.","A Selenium-Containing Diarylamido Pincer Ligand: Synthesis and Coordination Chemistry with Group 10 Metals.","Inorganic chemistry","2016","55","12","6344","6350","10.1021/acs.inorgchem.6b01203","","","0.71073","MoKα","","0.052","0.0261","","","0.0432","0.048","","","","","","0.967","","","","has coordinates","232983","2020-10-21","18:00:00",""
"4348479","15.1538","0.0005","9.5448","0.0003","12.7299","0.0004","90","","111.159","0.001","90","","1717.12","0.1","295","2","295.09","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cl N Pd Se2 -","- C16 H18 Cl N Pd Se2 -","- C64 H72 Cl4 N4 Pd4 Se8 -","4","0.5","","Charette, Bronte J.; Ritch, Jamie S.","A Selenium-Containing Diarylamido Pincer Ligand: Synthesis and Coordination Chemistry with Group 10 Metals.","Inorganic chemistry","2016","55","12","6344","6350","10.1021/acs.inorgchem.6b01203","","","0.71073","MoKα","","0.0362","0.0232","","","0.0509","0.0605","","","","","","1.2","","","","has coordinates","232983","2020-10-21","18:00:00",""
"4348480","14.9179","0.0006","9.5125","0.0004","12.6401","0.0005","90","","110.272","0.002","90","","1682.61","0.12","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cl N Pt Se2 -","- C16 H18 Cl N Pt Se2 -","- C64 H72 Cl4 N4 Pt4 Se8 -","4","0.5","","Charette, Bronte J.; Ritch, Jamie S.","A Selenium-Containing Diarylamido Pincer Ligand: Synthesis and Coordination Chemistry with Group 10 Metals.","Inorganic chemistry","2016","55","12","6344","6350","10.1021/acs.inorgchem.6b01203","","","0.71073","MoKα","","0.0406","0.0256","","","0.0348","0.0372","","","","","","1.091","","","","has coordinates","232983","2020-10-21","18:00:00",""
"4348481","11.2838","0.0002","15.0822","0.0003","30.4789","0.0006","90","","98.7722","0.0009","90","","5126.36","0.17","301","2","300.7","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H52 F6 N3 O6 P3 Ru S2 -","- C50 H52 F6 N3 O6 P3 Ru S2 -","- C200 H208 F24 N12 O24 P12 Ru4 S8 -","4","1","","Mendoza, Zenaida; Lorenzo-Luis, Pablo; Serrano-Ruiz, Manuel; Martín-Batista, Elva; Padrón, José M; Scalambra, Franco; Romerosa, Antonio","Synthesis and Antiproliferative Activity of [RuCp(PPh3)2(HdmoPTA)](OSO2CF3)2 (HdmoPTA = 3,7-H-3,7-Dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane).","Inorganic chemistry","2016","55","16","7820","7822","10.1021/acs.inorgchem.6b01207","","","1.54178","CuKα","","0.0617","0.0522","","","0.1342","0.1422","","","","","","1.038","","","","has coordinates","232985","2020-10-21","18:00:00",""
"4348482","18.586","0.005","18.586","0.005","38.461","0.005","90","","90","","120","","11506","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H8 Cu2 N O10 -","- C22 H8 Cu2 N O10 -","- C198 H72 Cu18 N9 O90 -","9","0.5","","De, Dinesh; Pal, Tapan K.; Bharadwaj, Parimal K.","A Porous Cu(II)-MOF with Proline Embellished Cavity: Cooperative Catalysis for the Baylis-Hillman Reaction.","Inorganic chemistry","2016","55","14","6842","6844","10.1021/acs.inorgchem.6b01211","","","0.71069","MoKα","","0.0749","0.0541","","","0.1415","0.1488","","","","","","1.1","","","","has coordinates","232987","2020-10-21","18:00:00",""
"4348483","11.9552","0.0016","14.164","0.002","18.528","0.003","107.482","0.004","90.366","0.004","109.556","0.004","2799.8","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H25 F3 Mn N6 O4 S -","- C27 H25 F3 Mn N6 O4 S -","- C108 H100 F12 Mn4 N24 O16 S4 -","4","2","","Rice, Derek B.; Wijeratne, Gayan B.; Burr, Andrew D.; Parham, Joshua D.; Day, Victor W.; Jackson, Timothy A.","Steric and Electronic Influence on Proton-Coupled Electron-Transfer Reactivity of a Mononuclear Mn(III)-Hydroxo Complex.","Inorganic chemistry","2016","55","16","8110","8120","10.1021/acs.inorgchem.6b01217","","","1.54178","CuKα","","0.0543","0.0523","","","0.148","0.1498","","","","","","1.051","","","","has coordinates,has disorder","232989","2020-10-21","18:00:00",""
"4348484","8.4929","0.0005","14.2757","0.0008","27.9728","0.0016","90","","96.229","0.003","90","","3371.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 F3 Mn N6 O6 S -","- C31 H36 F3 Mn N6 O6 S -","- C124 H144 F12 Mn4 N24 O24 S4 -","4","1","","Rice, Derek B.; Wijeratne, Gayan B.; Burr, Andrew D.; Parham, Joshua D.; Day, Victor W.; Jackson, Timothy A.","Steric and Electronic Influence on Proton-Coupled Electron-Transfer Reactivity of a Mononuclear Mn(III)-Hydroxo Complex.","Inorganic chemistry","2016","55","16","8110","8120","10.1021/acs.inorgchem.6b01217","","","1.54178","CuKα","","0.0678","0.0615","","","0.1692","0.1741","","","","","","1.043","","","","has coordinates","232991","2020-10-21","18:00:00",""
"4348485","9.3069","0.0002","16.4356","0.0003","15.5445","0.0003","90","","100.959","0.002","90","","2334.39","0.08","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 B3 Ir N2 O8 -","- C20 H30 B3 Ir N2 O8 -","- C80 H120 B12 Ir4 N8 O32 -","4","1","","Bloomfield, Aaron J.; Matula, Adam J.; Mercado, Brandon Q.; Batista, Victor S.; Crabtree, Robert H.","Organometallic Iridium Complex Containing a Dianionic, Tridentate, Mixed Organic-Inorganic Ligand.","Inorganic chemistry","2016","55","16","8121","8129","10.1021/acs.inorgchem.6b01218","","","1.54184","CuKα","","0.0452","0.0386","","","0.1016","0.1066","","","","","","1.057","","","","has coordinates","232993","2020-10-21","18:00:00",""
"4348486","16.2718","0.0003","19.8352","0.0003","23.4803","0.0003","99.805","0.0011","109.382","0.0013","91.7165","0.0012","7013.9","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C157.25 H153.43 B F24 N7 -","- C157.253 H153.432 B F24 N7 -","- C314.506 H306.864 B2 F48 N14 -","2","1","","Joslin, Evan E.; Zaragoza, Jan Paulo T.; Baglia, Regina A.; Siegler, Maxime A.; Goldberg, David P.","The Influence of Peripheral Substituent Modification on P(V), Mn(III), and Mn(V)(O) Corrolazines: X-ray Crystallography, Electrochemical and Spectroscopic Properties, and HAT and OAT Reactivities.","Inorganic chemistry","2016","55","17","8646","8660","10.1021/acs.inorgchem.6b01219","","","1.54178","CuKα","","0.0664","0.0586","","","0.1689","0.1779","","","","","","1.025","","","","has coordinates,has disorder","232995","2020-10-21","18:00:00",""
"4348487","10.0064","0.0005","18.3946","0.0009","19.5794","0.0009","69.721","0.004","86.165","0.004","80.387","0.004","3332.8","0.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C75.29 H64.06 Cl2.7 Mn N7 O10.39 -","- C75.286 H64.0568 Cl2.7 Mn N7 O10.386 -","- C150.572 H128.114 Cl5.4 Mn2 N14 O20.772 -","2","1","","Joslin, Evan E.; Zaragoza, Jan Paulo T.; Baglia, Regina A.; Siegler, Maxime A.; Goldberg, David P.","The Influence of Peripheral Substituent Modification on P(V), Mn(III), and Mn(V)(O) Corrolazines: X-ray Crystallography, Electrochemical and Spectroscopic Properties, and HAT and OAT Reactivities.","Inorganic chemistry","2016","55","17","8646","8660","10.1021/acs.inorgchem.6b01219","","","1.54178","CuKα","","0.092","0.0695","","","0.1949","0.2181","","","","","","1.042","","","","has coordinates,has disorder","232997","2020-10-21","18:00:00",""
"4348488","14.8549","0.0006","15.6119","0.0018","16.6521","0.0007","87.211","0.004","66.674","0.004","74.628","0.004","3412.4","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H62 N7 O10 P -","- C74 H62 N7 O10 P -","- C148 H124 N14 O20 P2 -","2","1","","Joslin, Evan E.; Zaragoza, Jan Paulo T.; Baglia, Regina A.; Siegler, Maxime A.; Goldberg, David P.","The Influence of Peripheral Substituent Modification on P(V), Mn(III), and Mn(V)(O) Corrolazines: X-ray Crystallography, Electrochemical and Spectroscopic Properties, and HAT and OAT Reactivities.","Inorganic chemistry","2016","55","17","8646","8660","10.1021/acs.inorgchem.6b01219","","","1.54178","CuKα","","0.0798","0.0573","","","0.1466","0.1623","","","","","","1.014","","","","has coordinates,has disorder","232999","2020-10-21","18:00:00",""
"4348489","15.5705","0.0006","22.3823","0.001","27.2969","0.0009","90","","101.102","0.004","90","","9335","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","hexakis(mu-adeninato)hexa(mu3-hidroxido)hexa(mu-aqua)heptacopper(II) sulfate - triethylammonium sulphate (1/1)n-hydrate","","- C42 H74 Cu7 N32 O20 S2 -","- C42 H43 Cu7 N32 O20 S2 -","- C168 H172 Cu28 N128 O80 S8 -","4","0.5","","Pérez-Aguirre, Rubén; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Luque, Antonio; Pérez-Yáñez, Sonia; Rodríguez Fernández, Jesús; Román, Pascual","3D Magnetically Ordered Open Supramolecular Architectures Based on Ferrimagnetic Cu/Adenine/Hydroxide Heptameric Wheels.","Inorganic chemistry","2016","55","15","7755","7763","10.1021/acs.inorgchem.6b01231","","","1.54184","CuKα","","0.1479","0.1205","","","0.3766","0.4025","","","","","","1.519","","","","has coordinates,has disorder","233001","2020-10-21","18:00:00",""
"4348490","18.9582","0.0005","18.9582","0.0005","43.2908","0.0014","90","","90","","120","","13474.7","0.7","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","hexakis(mu-adeninato)hexa(mu3-hidroxido)hexa(mu-aqua)heptacopper(II) sulfate - triethylammonium sulphate (1/1) n-hydrate","","- C30 H28 Cu7 N30 O24 S2 -","- C30 H42 Cu7 N30 O23.94 S1.98 -","- C180 H252 Cu42 N180 O143.64 S11.88 -","6","0.166667","","Pérez-Aguirre, Rubén; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Luque, Antonio; Pérez-Yáñez, Sonia; Rodríguez Fernández, Jesús; Román, Pascual","3D Magnetically Ordered Open Supramolecular Architectures Based on Ferrimagnetic Cu/Adenine/Hydroxide Heptameric Wheels.","Inorganic chemistry","2016","55","15","7755","7763","10.1021/acs.inorgchem.6b01231","","","0.71073","MoKα","","0.1142","0.0969","","","0.3083","0.3237","","","","","","1.1577","","","","has coordinates,has disorder","233001","2020-10-21","18:00:00",""
"4348491","5.7412","0.0003","14.4322","0.0006","15.7094","0.0007","90","","90","","90","","1301.65","0.1","100","","100","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C8 H8 N2 O9.5 U -","- C8 H8 N2 O9.5 U -","- C32 H32 N8 O38 U4 -","4","0.5","","Martin, Nicolas P.; Falaise, Clément; Volkringer, Christophe; Henry, Natacha; Farger, Pierre; Falk, Camille; Delahaye, Emilie; Rabu, Pierre; Loiseau, Thierry","Hydrothermal Crystallization of Uranyl Coordination Polymers Involving an Imidazolium Dicarboxylate Ligand: Effect of pH on the Nuclearity of Uranyl-Centered Subunits.","Inorganic chemistry","2016","55","17","8697","8705","10.1021/acs.inorgchem.6b01232","","x-ray","0.71073","MoKα","","0.0551","0.0364","","","0.0911","0.1027","","","","","","1.044","","","","has coordinates,has disorder","233003","2020-10-21","18:00:00",""
"4348492","8.2573","0.0002","14.3164","0.0005","14.6263","0.0004","90","","97.68","0.002","90","","1713.54","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O10 U -","- C14 H14 N4 O10 U -","- C56 H56 N16 O40 U4 -","4","1","","Martin, Nicolas P.; Falaise, Clément; Volkringer, Christophe; Henry, Natacha; Farger, Pierre; Falk, Camille; Delahaye, Emilie; Rabu, Pierre; Loiseau, Thierry","Hydrothermal Crystallization of Uranyl Coordination Polymers Involving an Imidazolium Dicarboxylate Ligand: Effect of pH on the Nuclearity of Uranyl-Centered Subunits.","Inorganic chemistry","2016","55","17","8697","8705","10.1021/acs.inorgchem.6b01232","","","0.71073","MoKα","","0.0402","0.0289","","","0.0683","0.076","","","","","","1.025","","","","has coordinates","233004","2020-10-21","18:00:00",""
"4348493","19.761","0.002","12.5678","0.0011","15.5142","0.0015","90","","101.723","0.005","90","","3772.6","0.6","299.37","","299.37","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 N2 O16 U3 -","- C7 H7 N2 O16 U3 -","- C56 H56 N16 O128 U24 -","8","1","","Martin, Nicolas P.; Falaise, Clément; Volkringer, Christophe; Henry, Natacha; Farger, Pierre; Falk, Camille; Delahaye, Emilie; Rabu, Pierre; Loiseau, Thierry","Hydrothermal Crystallization of Uranyl Coordination Polymers Involving an Imidazolium Dicarboxylate Ligand: Effect of pH on the Nuclearity of Uranyl-Centered Subunits.","Inorganic chemistry","2016","55","17","8697","8705","10.1021/acs.inorgchem.6b01232","","x-ray","0.71073","MoKα","","0.0435","0.0276","","","0.0567","0.0622","","","","","","1.053","","","","has coordinates","233006","2020-10-21","18:00:00",""
"4348494","11.116","0.003","11.411","0.002","11.684","0.003","116.62","0.009","100.87","0.011","97.906","0.01","1258.9","0.5","299.06","","299.06","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 N4 O18 U3 -","- C14 H16 N4 O18 U3 -","- C28 H32 N8 O36 U6 -","2","1","","Martin, Nicolas P.; Falaise, Clément; Volkringer, Christophe; Henry, Natacha; Farger, Pierre; Falk, Camille; Delahaye, Emilie; Rabu, Pierre; Loiseau, Thierry","Hydrothermal Crystallization of Uranyl Coordination Polymers Involving an Imidazolium Dicarboxylate Ligand: Effect of pH on the Nuclearity of Uranyl-Centered Subunits.","Inorganic chemistry","2016","55","17","8697","8705","10.1021/acs.inorgchem.6b01232","","x-ray","0.71073","MoKα","","0.0214","0.0182","","","0.044","0.0454","","","","","","1.073","","","","has coordinates","233008","2020-10-21","18:00:00",""
"4348495","9.46","0.005","11.154","0.005","16.521","0.005","94.375","0.005","102.621","0.005","111.303","0.005","1561.5","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 Ag N2 O5 P S -","- C34 H32 Ag N2 O5 P S -","- C68 H64 Ag2 N4 O10 P2 S2 -","2","1","","Banti, Christina N.; Papatriantafyllopoulou, Constantina; Manoli, Maria; Tasiopoulos, Anastasios J.; Hadjikakou, Sotiris K.","Nimesulide Silver Metallodrugs, Containing the Mitochondriotropic, Triaryl Derivatives of Pnictogen; Anticancer Activity against Human Breast Cancer Cells.","Inorganic chemistry","2016","55","17","8681","8696","10.1021/acs.inorgchem.6b01241","","","0.71073","MoKα","","0.0448","0.0366","","","0.0853","0.089","","","","","","1.048","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348496","14.284","0.005","14.492","0.005","14.643","0.005","86.056","0.005","78.75","0.005","80.054","0.005","2926.3","1.8","100.05","0.1","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H56 Ag N2 O5 S Sb3 -","- C67 H56 Ag N2 O5 S Sb3 -","- C134 H112 Ag2 N4 O10 S2 Sb6 -","2","1","","Banti, Christina N.; Papatriantafyllopoulou, Constantina; Manoli, Maria; Tasiopoulos, Anastasios J.; Hadjikakou, Sotiris K.","Nimesulide Silver Metallodrugs, Containing the Mitochondriotropic, Triaryl Derivatives of Pnictogen; Anticancer Activity against Human Breast Cancer Cells.","Inorganic chemistry","2016","55","17","8681","8696","10.1021/acs.inorgchem.6b01241","","","0.71073","MoKα","","0.0691","0.0462","","","0.1037","0.1222","","","","","","1.031","","","","has coordinates","233013","2020-10-21","18:00:00",""
"4348497","33.241","0.005","5.068","0.005","15.874","0.005","90","0.005","92.689","0.005","90","0.005","2671","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 N2 O5 S -","- C13 H12 N2 O5 S -","- C104 H96 N16 O40 S8 -","8","1","","Banti, Christina N.; Papatriantafyllopoulou, Constantina; Manoli, Maria; Tasiopoulos, Anastasios J.; Hadjikakou, Sotiris K.","Nimesulide Silver Metallodrugs, Containing the Mitochondriotropic, Triaryl Derivatives of Pnictogen; Anticancer Activity against Human Breast Cancer Cells.","Inorganic chemistry","2016","55","17","8681","8696","10.1021/acs.inorgchem.6b01241","","","0.71073","MoKα","","0.053","0.0441","","","0.123","0.1297","","","","","","0.906","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348498","10.626","0.005","10.821","0.005","22.212","0.005","101.258","0.005","91.047","0.005","99.428","0.005","2467.7","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H53 Ag N2 O5 P2 S -","- C55 H53 Ag N2 O5 P2 S -","- C110 H106 Ag2 N4 O10 P4 S2 -","2","1","","Banti, Christina N.; Papatriantafyllopoulou, Constantina; Manoli, Maria; Tasiopoulos, Anastasios J.; Hadjikakou, Sotiris K.","Nimesulide Silver Metallodrugs, Containing the Mitochondriotropic, Triaryl Derivatives of Pnictogen; Anticancer Activity against Human Breast Cancer Cells.","Inorganic chemistry","2016","55","17","8681","8696","10.1021/acs.inorgchem.6b01241","","","0.71073","MoKα","","0.0505","0.0397","","","0.0932","0.0998","","","","","","1.033","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348499","15.4416","0.0004","14.2826","0.0004","19.7348","0.0006","90","","96.343","0.003","90","","4325.8","0.2","100.3","0.4","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H41 Ag As2 N2 O5 S -","- C49 H41 Ag As2 N2 O5 S -","- C196 H164 Ag4 As8 N8 O20 S4 -","4","1","","Banti, Christina N.; Papatriantafyllopoulou, Constantina; Manoli, Maria; Tasiopoulos, Anastasios J.; Hadjikakou, Sotiris K.","Nimesulide Silver Metallodrugs, Containing the Mitochondriotropic, Triaryl Derivatives of Pnictogen; Anticancer Activity against Human Breast Cancer Cells.","Inorganic chemistry","2016","55","17","8681","8696","10.1021/acs.inorgchem.6b01241","","","1.54184","CuKα","","0.0489","0.0381","","","0.106","0.1297","","","","","","1.062","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348500","12.627","0.005","13.245","0.005","14.592","0.005","97.969","0.005","97.13","0.005","92.879","0.005","2392.5","1.5","100.05","0.1","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H47 Ag N3 O6 P2 S -","- C52 H47 Ag N3 O6 P2 S -","- C104 H94 Ag2 N6 O12 P4 S2 -","2","1","","Banti, Christina N.; Papatriantafyllopoulou, Constantina; Manoli, Maria; Tasiopoulos, Anastasios J.; Hadjikakou, Sotiris K.","Nimesulide Silver Metallodrugs, Containing the Mitochondriotropic, Triaryl Derivatives of Pnictogen; Anticancer Activity against Human Breast Cancer Cells.","Inorganic chemistry","2016","55","17","8681","8696","10.1021/acs.inorgchem.6b01241","","","0.71073","MoKα","","0.0496","0.0406","","","0.1016","0.1069","","","","","","1.052","","","","has coordinates","233020","2020-10-21","18:00:00",""
"4348501","11.41368","0.00016","11.88771","0.00019","23.4459","0.0003","90","","90.0915","0.0013","90","","3181.19","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diammonium pentahydroxyheptaborate boric acid water solvate","","- B31 H71 N8 O70 -","- B31 H69 N8 O70 -","- B62 H138 N16 O140 -","2","0.5","","Neiner, Doinita; Sevryugina, Yulia V.; Schubert, David M.","Solid-State Synthesis and Structure of the Enigmatic Ammonium Octaborate: (NH4)2[B7O9(OH)5]·3/4B(OH)3·5/4H2O.","Inorganic chemistry","2016","55","17","8706","8711","10.1021/acs.inorgchem.6b01243","","","1.54184","CuKα","","0.0524","0.0515","","","0.1735","0.1748","","","","","","1.121","","","","has coordinates,has disorder","233022","2020-10-21","18:00:00",""
"4348502","13.7778","0.0005","16.8338","0.0007","14.165","0.0006","90","","116.862","0.002","90","","2930.8","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C81 H52 Ir N7 -","- C81 H52 Ir N7 -","- C162 H104 Ir2 N14 -","2","1","","Lepeltier, Marc; Appaix, Florence; Liao, Yuan Yuan; Dumur, Frédéric; Marrot, Jérôme; Le Bahers, Tangui; Andraud, Chantal; Monnereau, Cyrille","Carbazole-Substituted Iridium Complex as a Solid State Emitter for Two-Photon Intravital Imaging.","Inorganic chemistry","2016","55","19","9586","9595","10.1021/acs.inorgchem.6b01253","","","0.71073","MoKα","","0.0328","0.0242","","","0.0504","0.0523","","","","","","1.159","","","","has coordinates,has disorder","233024","2020-10-21","18:00:00",""
"4348503","19.1665","0.0014","9.4485","0.0005","21.9647","0.0014","90","","107.059","0.005","90","","3802.7","0.4","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H53 Mo N2 P5 -","- C39 H53 Mo N2 P5 -","- C156 H212 Mo4 N8 P20 -","4","1","","Hinrichsen, Svea; Kindjajev, Andrei; Adomeit, Sven; Krahmer, Jan; Näther, Christian; Tuczek, Felix","Molybdenum(0) Dinitrogen Complexes Supported by Pentadentate Tetrapodal Phosphine Ligands: Structure, Synthesis, and Reactivity toward Acids.","Inorganic chemistry","2016","55","17","8712","8722","10.1021/acs.inorgchem.6b01255","","","0.71073","MoKα","","0.0834","0.0543","","","0.1072","0.1178","","","","","","1.076","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348504","26.3296","0.0016","26.3296","0.0016","23.314","0.003","90","","90","","120","","13997","2","296","2","296","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C54 H96 Cr4 Mn3 N6 O54 -","- C48 H72 Cr4 Mn3 N6 O48 -","- C288 H432 Cr24 Mn18 N36 O288 -","6","0.333333","","Mon, Marta; Grancha, Thais; Verdaguer, Michel; Train, Cyrille; Armentano, Donatella; Pardo, Emilio","Solvent-Dependent Self-Assembly of an Oxalato-Based Three-Dimensional Magnet Exhibiting a Novel Architecture.","Inorganic chemistry","2016","55","14","6845","6847","10.1021/acs.inorgchem.6b01256","","","0.71073","MoKα","","0.0367","0.0348","","","0.0977","0.0994","","","","","","1.036","","","","has coordinates","233028","2020-10-21","18:00:00",""
"4348505","9.5412","0.0018","12.842","0.002","14.455","0.003","116.316","0.002","109.199","0.002","90.15","0.003","1476.1","0.5","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Gd N O9 -","- C22 H12 Gd N O9 -","- C44 H24 Gd2 N2 O18 -","2","1","","Wu, Pengyan; Guo, Xiangyang; Cheng, Linjuan; He, Cheng; Wang, Jian; Duan, Chunying","Photoactive Metal-Organic Framework and Its Film for Light-Driven Hydrogen Production and Carbon Dioxide Reduction.","Inorganic chemistry","2016","55","16","8153","8159","10.1021/acs.inorgchem.6b01267","","","0.71073","MoKα","","0.0838","0.0587","","","0.1564","0.165","","","","","","1.036","","","","has coordinates,has disorder","233030","2020-10-21","18:00:00",""
"4348506","13.827","0.004","16.888","0.006","19.105","0.007","74.465","0.016","70.471","0.017","71.882","0.016","3929","2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H25 Cl2 N7 O8 Ru -","- C39 H25 Cl2 N7 O8 Ru -","- C156 H100 Cl8 N28 O32 Ru4 -","4","2","","Singha Hazari, Arijit; Ray, Ritwika; Hoque, Md Asmaul; Lahiri, Goutam Kumar","Electronic Structure and Multicatalytic Features of Redox-Active Bis(arylimino)acenaphthene (BIAN)-Derived Ruthenium Complexes.","Inorganic chemistry","2016","55","16","8160","8173","10.1021/acs.inorgchem.6b01280","","","0.71075","MoKα","","0.0793","0.0726","","","0.1819","0.1896","","","","","","1.122","","","","has coordinates","233033","2020-10-21","18:00:00",""
"4348507","12.5917","0.001","12.843","0.01","14.364","0.012","111.359","0.014","90.515","0.011","97.492","0.001","2141","2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H31 Cl2 N5 O6 Ru -","- C41 H31 Cl2 N5 O6 Ru -","- C82 H62 Cl4 N10 O12 Ru2 -","2","1","","Singha Hazari, Arijit; Ray, Ritwika; Hoque, Md Asmaul; Lahiri, Goutam Kumar","Electronic Structure and Multicatalytic Features of Redox-Active Bis(arylimino)acenaphthene (BIAN)-Derived Ruthenium Complexes.","Inorganic chemistry","2016","55","16","8160","8173","10.1021/acs.inorgchem.6b01280","","","0.7107","MoKα","","0.0635","0.0522","","","0.097","0.1022","","","","","","1.051","","","","has coordinates","233035","2020-10-21","18:00:00",""
"4348508","17.999","0.003","19.834","0.003","22.541","0.003","90","","110.037","0.002","90","","7560","2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40.5 H29.5 Cl3 N5.5 O4 Ru -","- C40.5 H29.5 Cl3 N5.5 O4 Ru -","- C324 H236 Cl24 N44 O32 Ru8 -","8","2","","Singha Hazari, Arijit; Ray, Ritwika; Hoque, Md Asmaul; Lahiri, Goutam Kumar","Electronic Structure and Multicatalytic Features of Redox-Active Bis(arylimino)acenaphthene (BIAN)-Derived Ruthenium Complexes.","Inorganic chemistry","2016","55","16","8160","8173","10.1021/acs.inorgchem.6b01280","","","0.7107","MoKα","","0.0573","0.0476","","","0.121","0.1307","","","","","","1.065","","","","has coordinates","233037","2020-10-21","18:00:00",""
"4348509","11.004","0.008","15.264","0.011","15.409","0.01","97.715","0.009","101.991","0.01","105.474","0.008","2390","3","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H45 Cl2 N5 O13 Ru -","- C47 H45 Cl2 N5 O13 Ru -","- C94 H90 Cl4 N10 O26 Ru2 -","2","1","","Singha Hazari, Arijit; Ray, Ritwika; Hoque, Md Asmaul; Lahiri, Goutam Kumar","Electronic Structure and Multicatalytic Features of Redox-Active Bis(arylimino)acenaphthene (BIAN)-Derived Ruthenium Complexes.","Inorganic chemistry","2016","55","16","8160","8173","10.1021/acs.inorgchem.6b01280","","","0.7107","MoKα","","0.0818","0.0744","","","0.1628","0.1669","","","","","","1.175","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348510","11.666","0.003","12.356","0.004","12.685","0.003","84.316","0.018","73.623","0.015","67.642","0.012","1622.3","0.8","150","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H22 Cl2 N4 O5 Ru -","- C33 H22 Cl2 N4 O5 Ru -","- C66 H44 Cl4 N8 O10 Ru2 -","2","1","","Singha Hazari, Arijit; Ray, Ritwika; Hoque, Md Asmaul; Lahiri, Goutam Kumar","Electronic Structure and Multicatalytic Features of Redox-Active Bis(arylimino)acenaphthene (BIAN)-Derived Ruthenium Complexes.","Inorganic chemistry","2016","55","16","8160","8173","10.1021/acs.inorgchem.6b01280","","","0.7107","MoKα","","0.0627","0.047","","","0.1031","0.115","","","","","","0.986","","","","has coordinates","233041","2020-10-21","18:00:00",""
"4348511","19.0947","0.0003","15.2858","0.0002","21.6894","0.0005","90","","90","","90","","6330.7","0.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H46 Cl Cr N4 -","- C32 H46 Cl Cr N4 -","- C256 H368 Cl8 Cr8 N32 -","8","1","","Tyler, Sarah F.; Judkins, Eileen C.; Song, You; Cao, Fan; McMillin, David R.; Fanwick, Phillip E.; Ren, Tong","Cr(III)-HMC (HMC = 5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane) Alkynyl Complexes: Preparation and Emission Properties.","Inorganic chemistry","2016","55","17","8736","8743","10.1021/acs.inorgchem.6b01285","","","0.71073","MoKα","","0.0763","0.0404","","","0.1019","0.1214","","","","","","1.029","","","","has coordinates","233043","2020-10-21","18:00:00",""
"4348512","9.2959","0.0007","21.2083","0.0011","17.4776","0.001","90","","92.872","0.004","90","","3441.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 Cl Cr N4 O2 -","- C34 H54 Cl Cr N4 O2 -","- C136 H216 Cl4 Cr4 N16 O8 -","4","1","","Tyler, Sarah F.; Judkins, Eileen C.; Song, You; Cao, Fan; McMillin, David R.; Fanwick, Phillip E.; Ren, Tong","Cr(III)-HMC (HMC = 5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane) Alkynyl Complexes: Preparation and Emission Properties.","Inorganic chemistry","2016","55","17","8736","8743","10.1021/acs.inorgchem.6b01285","","","0.71073","MoKα","","0.0583","0.0401","","","0.1097","0.1177","","","","","","1.086","","","","has coordinates","233043","2020-10-21","18:00:00",""
"4348513","12.2089","0.0005","12.8204","0.0005","22.5411","0.0014","90","","90","","90","","3528.2","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H54 Cl Cr N4 Si2 -","- C30 H54 Cl Cr N4 Si2 -","- C120 H216 Cl4 Cr4 N16 Si8 -","4","0.5","","Tyler, Sarah F.; Judkins, Eileen C.; Song, You; Cao, Fan; McMillin, David R.; Fanwick, Phillip E.; Ren, Tong","Cr(III)-HMC (HMC = 5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane) Alkynyl Complexes: Preparation and Emission Properties.","Inorganic chemistry","2016","55","17","8736","8743","10.1021/acs.inorgchem.6b01285","","","1.54178","CuKα","","0.0946","0.0606","","","0.1454","0.17","","","","","","1.065","","","","has coordinates","233043","2020-10-21","18:00:00",""
"4348514","10.0216","0.0005","12.0315","0.0006","13.4308","0.0004","86.353","0.003","72.292","0.003","80.406","0.002","1520.97","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H50 Cl Cr N4 O3 -","- C27 H50 Cl Cr N4 O3 -","- C54 H100 Cl2 Cr2 N8 O6 -","2","1","","Tyler, Sarah F.; Judkins, Eileen C.; Song, You; Cao, Fan; McMillin, David R.; Fanwick, Phillip E.; Ren, Tong","Cr(III)-HMC (HMC = 5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane) Alkynyl Complexes: Preparation and Emission Properties.","Inorganic chemistry","2016","55","17","8736","8743","10.1021/acs.inorgchem.6b01285","","","0.71073","MoKα","","0.0481","0.0336","","","0.0903","0.0985","","","","","","1.093","","","","has coordinates","233043","2020-10-21","18:00:00",""
"4348515","20.328","0.009","20.328","0.009","17.91","0.008","90","","90","","90","","7401","6","298","2","298","2","","","","","","","","6","I 4 c m","I 4 -2c","108","","","","- C23 H27 Co0.5 N2 O16.5 Zn2.5 -","- C23 H21 Co0.5 N2 O16.5 Zn2.5 -","- C184 H168 Co4 N16 O132 Zn20 -","8","0.5","","Pariyar, Anand; Yaghoobnejad Asl, Hooman; Choudhury, Amitava","Tetragonal versus Hexagonal: Structure-Dependent Catalytic Activity of Co/Zn Bimetallic Metal-Organic Frameworks.","Inorganic chemistry","2016","55","18","9250","9257","10.1021/acs.inorgchem.6b01288","","","0.71073","MoKα","","0.0882","0.0639","","","0.1586","0.1778","","","","","","1.085","","","","has coordinates","233045","2020-10-21","18:00:00",""
"4348516","18.389","0.005","18.389","0.005","17.969","0.005","90","","90","","120","","5262","2","230","2","230","2","","","","","","","","6","P 63 c m","P 6c -2","185","","","","- C24.67 H30.67 Co0.5 N3.33 O14.67 Zn2.5 -","- C24.6666 H26 Co0.5 N3.33333 O14.6666 Zn2.5 -","- C148 H156 Co3 N20 O87.9998 Zn15 -","6","0.5","","Pariyar, Anand; Yaghoobnejad Asl, Hooman; Choudhury, Amitava","Tetragonal versus Hexagonal: Structure-Dependent Catalytic Activity of Co/Zn Bimetallic Metal-Organic Frameworks.","Inorganic chemistry","2016","55","18","9250","9257","10.1021/acs.inorgchem.6b01288","","","0.71073","MoKα","","0.0942","0.0893","","","0.2113","0.2138","","","","","","1.158","","","","has coordinates","233045","2020-10-21","18:00:00",""
"4348517","18.368","0.01","18.368","0.01","17.964","0.01","90","","90","","120","","5249","5","220","2","220","2","","","","","","","","5","P 63 c m","P 6c -2","185","","","","- C24.67 H30.67 N3.33 O14.67 Zn3 -","- C24.6666 H26 N3.33333 O14.6666 Zn3 -","- C148 H156 N20 O87.9998 Zn18 -","6","0.5","","Pariyar, Anand; Yaghoobnejad Asl, Hooman; Choudhury, Amitava","Tetragonal versus Hexagonal: Structure-Dependent Catalytic Activity of Co/Zn Bimetallic Metal-Organic Frameworks.","Inorganic chemistry","2016","55","18","9250","9257","10.1021/acs.inorgchem.6b01288","","","0.71073","MoKα","","0.0842","0.0532","","","0.1238","0.1428","","","","","","1.051","","","","has coordinates","233045","2020-10-21","18:00:00",""
"4348518","20.977","0.003","12.512","0.002","14.563","0.002","90","","107.171","0.002","90","","3651.9","0.9","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","None","","","- C31 H42 Au Cl6 P2 Sb -","- C31 H42 Au Cl6 P2 Sb -","- C124 H168 Au4 Cl24 P8 Sb4 -","4","1","","Sen, Srobona; Ke, Iou-Sheng; Gabbaï, François P","Anion-Controlled Positional Switching of a Phenyl Group about the Dinuclear Core of a AuSb Complex.","Inorganic chemistry","2016","55","18","9162","9172","10.1021/acs.inorgchem.6b01290","","","0.71073","MoKα","","0.0297","0.0251","","","0.054","0.0556","","","","","","1.04","","","","has coordinates","233048","2020-10-21","18:00:00",""
"4348519","11.571","0.009","17.799","0.013","15.33","0.011","90","","101.679","0.008","90","","3092","4","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","None","","","- C30 H41 Au Cl F2 P2 Sb -","- C30 H41 Au Cl F2 P2 Sb -","- C120 H164 Au4 Cl4 F8 P8 Sb4 -","4","1","","Sen, Srobona; Ke, Iou-Sheng; Gabbaï, François P","Anion-Controlled Positional Switching of a Phenyl Group about the Dinuclear Core of a AuSb Complex.","Inorganic chemistry","2016","55","18","9162","9172","10.1021/acs.inorgchem.6b01290","","","0.71073","MoKα","","0.0382","0.033","","","0.0948","0.0974","","","","","","1.024","","","","has coordinates","233048","2020-10-21","18:00:00",""
"4348520","11.734","0.005","17.543","0.008","15.327","0.007","90","","103.156","0.005","90","","3072","2","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","None","","","- C30 H41 Au Cl2 F P2 Sb -","- C30 H41 Au Cl2 F P2 Sb -","- C120 H164 Au4 Cl8 F4 P8 Sb4 -","4","1","","Sen, Srobona; Ke, Iou-Sheng; Gabbaï, François P","Anion-Controlled Positional Switching of a Phenyl Group about the Dinuclear Core of a AuSb Complex.","Inorganic chemistry","2016","55","18","9162","9172","10.1021/acs.inorgchem.6b01290","","","0.71073","MoKα","","0.034","0.0281","","","0.0679","0.0908","","","","","","1.153","","","","has coordinates","233048","2020-10-21","18:00:00",""
"4348521","8.739","0.003","13.935","0.005","14.336","0.005","90.334","0.005","91.788","0.005","93.837","0.005","1741","1.1","253","2","253","2","","","","","","","","6","P -1","-P 1","2","None","","","- C30 H41 Au F8 P3 Sb -","- C30 H41 Au F8 P3 Sb -","- C60 H82 Au2 F16 P6 Sb2 -","2","1","","Sen, Srobona; Ke, Iou-Sheng; Gabbaï, François P","Anion-Controlled Positional Switching of a Phenyl Group about the Dinuclear Core of a AuSb Complex.","Inorganic chemistry","2016","55","18","9162","9172","10.1021/acs.inorgchem.6b01290","","","0.71073","MoKα","","0.0818","0.0606","","","0.1432","0.1537","","","","","","1.033","","","","has coordinates","233048","2020-10-21","18:00:00",""
"4348522","10.6697","0.0011","14.5036","0.0015","20.258","0.002","103.015","0.001","98.686","0.001","90.4","0.001","3016.6","0.5","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H41 Au F3 P2 Sb -","- C30 H41 Au F3 P2 Sb -","- C120 H164 Au4 F12 P8 Sb4 -","4","2","","Sen, Srobona; Ke, Iou-Sheng; Gabbaï, François P","Anion-Controlled Positional Switching of a Phenyl Group about the Dinuclear Core of a AuSb Complex.","Inorganic chemistry","2016","55","18","9162","9172","10.1021/acs.inorgchem.6b01290","","","0.71073","MoKα","","0.0595","0.0371","","","0.0754","0.0825","","","","","","1.049","","","","has coordinates","233048","2020-10-21","18:00:00",""
"4348523","26.57","0.004","26.57","0.004","23.545","0.007","90","","90","","120","","14395","5","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","None","","","- C540 H738 Au18 F54 O12 P36 Sb18 -","- C540 H738 Au18 F54 O12 P36 Sb18 -","- C540 H738 Au18 F54 O12 P36 Sb18 -","1","0.0555556","","Sen, Srobona; Ke, Iou-Sheng; Gabbaï, François P","Anion-Controlled Positional Switching of a Phenyl Group about the Dinuclear Core of a AuSb Complex.","Inorganic chemistry","2016","55","18","9162","9172","10.1021/acs.inorgchem.6b01290","","","0.71073","MoKα","","0.0475","0.0322","","","0.0733","0.0835","","","","","","1.053","","","","has coordinates","233048","2020-10-21","18:00:00",""
"4348524","29.097","0.002","35.554","0.003","45.696","0.003","90","","90","","90","","47273","6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C164 H170 Cl12 N24 O43 Y Yb -","- C164 H170 Cl12 N24 O43 Y Yb -","- C1312 H1360 Cl96 N192 O344 Y8 Yb8 -","8","1","","Polovkova, Marina A.; Martynov, Alexander G.; Birin, Kirill P.; Nefedov, Sergey E.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu","Determination of the Structural Parameters of Heteronuclear (Phthalocyaninato)bis(crownphthalocyaninato)lanthanide(III) Triple-Deckers in Solution by Simultaneous Analysis of NMR and Single-Crystal X-ray Data.","Inorganic chemistry","2016","55","18","9258","9269","10.1021/acs.inorgchem.6b01292","","","0.71073","MoKα","","0.2181","0.1084","","","0.2723","0.3145","","","","","","0.808","","","","has coordinates","233050","2020-10-21","18:00:00",""
"4348525","24.563","0.002","38.104","0.004","22.629","0.002","90","","101.392","0.002","90","","20762","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C170 H172 Cl30 N24 O41 Tm Y -","- C170 H172 Cl30 N24 O41 Tm Y -","- C680 H688 Cl120 N96 O164 Tm4 Y4 -","4","1","","Polovkova, Marina A.; Martynov, Alexander G.; Birin, Kirill P.; Nefedov, Sergey E.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu","Determination of the Structural Parameters of Heteronuclear (Phthalocyaninato)bis(crownphthalocyaninato)lanthanide(III) Triple-Deckers in Solution by Simultaneous Analysis of NMR and Single-Crystal X-ray Data.","Inorganic chemistry","2016","55","18","9258","9269","10.1021/acs.inorgchem.6b01292","","","0.71073","MoKα","","0.1889","0.1012","","","0.2572","0.2864","","","","","","0.945","","","","has coordinates","233052","2020-10-21","18:00:00",""
"4348526","13.806","0.004","7.91","0.002","9.093","0.003","90","","90","","90","","993","0.5","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","K3B3O10H8","","","- B3 H8 K3 O10 -","- B3 H8 K3 O10 -","- B12 H32 K12 O40 -","4","0.5","","Liu, Qiong; Zhang, Xiangyu; Yang, Zhihua; Zhang, Fangfang; Liu, Lili; Han, Jian; Li, Zhi; Pan, Shilie","K3B3O4(OH)4·2H2O: A UV Nonlinear Optical Crystal with Isolated [B3O4(OH)4](3-) Anion Groups.","Inorganic chemistry","2016","55","17","8744","8749","10.1021/acs.inorgchem.6b01298","","","0.71073","MoKα","","0.0482","0.0457","","","0.1458","0.148","","","","","","1.13","","","","has coordinates","233054","2020-10-21","18:00:00",""
"4348527","10.9313","0.0014","14.207","0.002","19.792","0.003","71.505","0.006","76.44","0.006","78.322","0.007","2806.2","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H56 Cu F6 Fe N4 O2 P -","- C56 H56 Cu F6 Fe N4 O2 P -","- C112 H112 Cu2 F12 Fe2 N8 O4 P2 -","2","1","","Barnsley, Jonathan E.; Scottwell, Synøve Ø; Elliott, Anastasia B. S.; Gordon, Keith C.; Crowley, James D.","Structural, Electronic, and Computational Studies of Heteroleptic Cu(I) Complexes of 6,6'-Dimesityl-2,2'-bipyridine with Ferrocene-Appended Ethynyl-2,2'-bipyridine Ligands.","Inorganic chemistry","2016","55","16","8184","8192","10.1021/acs.inorgchem.6b01300","","","0.71073","MoKα","","0.0935","0.0623","","","0.1685","0.1849","","","","","","1.01","","","","has coordinates","233056","2020-10-21","18:00:00",""
"4348528","14.1641","0.0011","15.7908","0.0011","29.13","0.002","95.364","0.005","92.364","0.004","114.839","0.004","5863.3","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H52 Cu F6 Fe2 N4 O0 P -","- C62 H52 Cu F6 Fe2 N4 P -","- C248 H208 Cu4 F24 Fe8 N16 P4 -","4","2","","Barnsley, Jonathan E.; Scottwell, Synøve Ø; Elliott, Anastasia B. S.; Gordon, Keith C.; Crowley, James D.","Structural, Electronic, and Computational Studies of Heteroleptic Cu(I) Complexes of 6,6'-Dimesityl-2,2'-bipyridine with Ferrocene-Appended Ethynyl-2,2'-bipyridine Ligands.","Inorganic chemistry","2016","55","16","8184","8192","10.1021/acs.inorgchem.6b01300","","","0.71073","MoKα","","0.1697","0.0952","","","0.2556","0.2896","","","","","","0.992","","","","has coordinates,has disorder","233056","2020-10-21","18:00:00",""
"4348529","19.447","0.019","11.944","0.012","8.02","0.008","90","","103.554","0.012","90","","1811","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Cl2 N5 Ni O -","- C17 H15 Cl2 N5 Ni O -","- C68 H60 Cl8 N20 Ni4 O4 -","4","0.5","","Sengupta, Debabrata; Bhattacharjee, Rameswar; Pramanick, Rajib; Rath, Santi Prasad; Saha Chowdhury, Nabanita; Datta, Ayan; Goswami, Sreebrata","Exclusively Ligand-Mediated Catalytic Dehydrogenation of Alcohols.","Inorganic chemistry","2016","55","19","9602","9610","10.1021/acs.inorgchem.6b01310","","","0.71073","MoKα","","0.0702","0.0438","","","0.0918","0.1047","","","","","","0.991","","","","has coordinates","233058","2020-10-21","18:00:00",""
"4348530","12.619","0.004","9.185","0.003","15.5","0.005","90","","91.489","0.01","90","","1795.9","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl2 N5 Ni -","- C17 H15 Cl2 N5 Ni -","- C68 H60 Cl8 N20 Ni4 -","4","1","","Sengupta, Debabrata; Bhattacharjee, Rameswar; Pramanick, Rajib; Rath, Santi Prasad; Saha Chowdhury, Nabanita; Datta, Ayan; Goswami, Sreebrata","Exclusively Ligand-Mediated Catalytic Dehydrogenation of Alcohols.","Inorganic chemistry","2016","55","19","9602","9610","10.1021/acs.inorgchem.6b01310","","","0.71073","MoKα","","0.1405","0.0569","","","0.1118","0.1453","","","","","","0.983","","","","has coordinates","233058","2020-10-21","18:00:00",""
"4348531","18.8317","0.001","18.8317","0.001","38.5698","0.0013","90","","90","","120","","11845.6","1","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C25.66 H13.79 N1.99 O8.57 Zn2 -","- C25.664 H13.784 N1.998 O8.562 Zn2 -","- C230.976 H124.056 N17.982 O77.058 Zn18 -","9","0.25","","Yao, Ru-Xin; Cui, Xin; Jia, Xiao-Xia; Zhang, Fu-Qiang; Zhang, Xian-Ming","A Luminescent Zinc(II) Metal-Organic Framework (MOF) with Conjugated π-Electron Ligand for High Iodine Capture and Nitro-Explosive Detection.","Inorganic chemistry","2016","55","18","9270","9275","10.1021/acs.inorgchem.6b01312","","x-ray","0.71073","MoKα","","0.0829","0.0646","","","0.1808","0.1939","","","","","","1.066","","","","has coordinates,has disorder","233060","2020-10-21","18:00:00",""
"4348532","12.9199","0.0003","15.0009","0.0004","17.2749","0.0004","73.262","0.001","85.813","0.001","86.019","0.001","3193.53","0.14","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H66 Au Cl5 Fe P4 -","- C68 H66 Au Cl5 Fe P4 -","- C136 H132 Au2 Cl10 Fe2 P8 -","2","1","","Rampazzi, Vincent; Roger, Julien; Amardeil, Régine; Penouilh, Marie-José; Richard, Philippe; Fleurat-Lessard, Paul; Hierso, Jean-Cyrille","Gold(I) Complexes of Ferrocenyl Polyphosphines: Aurophilic Gold Chloride Formation and Phosphine-Concerted Shuttling of a Dinuclear [ClAu···AuCl] Fragment.","Inorganic chemistry","2016","55","21","10907","10921","10.1021/acs.inorgchem.6b01318","","x-ray","0.71073","MoKα","","0.0663","0.0506","","","0.102","0.1124","","","","","","1.117","","","","has coordinates,has disorder","233062","2020-10-21","18:00:00",""
"4348533","12.7773","0.0003","27.6187","0.0006","20.1236","0.0004","90","","100.41","0.001","90","","6984.6","0.3","115","","115","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C69 H68 Au3 Cl9 Fe P4 -","- C69 H68 Au3 Cl9 Fe P4 -","- C276 H272 Au12 Cl36 Fe4 P16 -","4","1","","Rampazzi, Vincent; Roger, Julien; Amardeil, Régine; Penouilh, Marie-José; Richard, Philippe; Fleurat-Lessard, Paul; Hierso, Jean-Cyrille","Gold(I) Complexes of Ferrocenyl Polyphosphines: Aurophilic Gold Chloride Formation and Phosphine-Concerted Shuttling of a Dinuclear [ClAu···AuCl] Fragment.","Inorganic chemistry","2016","55","21","10907","10921","10.1021/acs.inorgchem.6b01318","","x-ray","0.71073","MoKα","","0.0278","0.0264","","","0.065","0.0666","","","","","","1.048","","","","has coordinates","233062","2020-10-21","18:00:00",""
"4348534","13.2298","0.0002","22.4425","0.0004","23.1174","0.0004","90","","92.882","0.001","90","","6855.1","0.2","115","","115","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H68 Au2.11 Cl8.11 Fe P4 -","- C69 H68 Au2.1087 Cl8.1087 Fe P4 -","- C276 H272 Au8.4348 Cl32.4348 Fe4 P16 -","4","1","","Rampazzi, Vincent; Roger, Julien; Amardeil, Régine; Penouilh, Marie-José; Richard, Philippe; Fleurat-Lessard, Paul; Hierso, Jean-Cyrille","Gold(I) Complexes of Ferrocenyl Polyphosphines: Aurophilic Gold Chloride Formation and Phosphine-Concerted Shuttling of a Dinuclear [ClAu···AuCl] Fragment.","Inorganic chemistry","2016","55","21","10907","10921","10.1021/acs.inorgchem.6b01318","","x-ray","0.71073","MoKα","","0.0575","0.0423","","","0.0711","0.0765","","","","","","1.164","","","","has coordinates,has disorder","233062","2020-10-21","18:00:00",""
"4348535","13.672","0.0002","20.447","0.0004","16.5451","0.0003","90","","104.879","0.0008","90","","4470.12","0.14","115","","115","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43.5 H47 Au2 Cl5 Fe P2 -","- C43.5 H47 Au2 Cl5 Fe P2 -","- C174 H188 Au8 Cl20 Fe4 P8 -","4","1","","Rampazzi, Vincent; Roger, Julien; Amardeil, Régine; Penouilh, Marie-José; Richard, Philippe; Fleurat-Lessard, Paul; Hierso, Jean-Cyrille","Gold(I) Complexes of Ferrocenyl Polyphosphines: Aurophilic Gold Chloride Formation and Phosphine-Concerted Shuttling of a Dinuclear [ClAu···AuCl] Fragment.","Inorganic chemistry","2016","55","21","10907","10921","10.1021/acs.inorgchem.6b01318","","x-ray","0.71073","MoKα","","0.0357","0.0321","","","0.0775","0.081","","","","","","1.175","","","","has coordinates,has disorder","233064","2020-10-21","18:00:00",""
"4348536","17.7292","0.0004","11.8179","0.0003","22.1518","0.0006","90","","112.38","0.0011","90","","4291.72","0.19","115","","115","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H46 Au2 Cl4 Fe O4 P2 -","- C39 H46 Au2 Cl4 Fe O4 P2 -","- C156 H184 Au8 Cl16 Fe4 O16 P8 -","4","0.5","","Rampazzi, Vincent; Roger, Julien; Amardeil, Régine; Penouilh, Marie-José; Richard, Philippe; Fleurat-Lessard, Paul; Hierso, Jean-Cyrille","Gold(I) Complexes of Ferrocenyl Polyphosphines: Aurophilic Gold Chloride Formation and Phosphine-Concerted Shuttling of a Dinuclear [ClAu···AuCl] Fragment.","Inorganic chemistry","2016","55","21","10907","10921","10.1021/acs.inorgchem.6b01318","","x-ray","0.71069","MoKα","","0.0424","0.0411","","","0.091","0.0915","","","","","","1.374","","","","has coordinates,has disorder","233064","2020-10-21","18:00:00",""
"4348537","18.6943","0.0005","17.5593","0.0005","16.7946","0.0005","90","","108.199","0.001","90","","5237.2","0.3","100","","100.01","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52 H68 Au2 Cl2 Fe O2 P2 Si2 -","- C52 H68 Au2 Cl2 Fe O2 P2 Si2 -","- C208 H272 Au8 Cl8 Fe4 O8 P8 Si8 -","4","0.5","","Rampazzi, Vincent; Roger, Julien; Amardeil, Régine; Penouilh, Marie-José; Richard, Philippe; Fleurat-Lessard, Paul; Hierso, Jean-Cyrille","Gold(I) Complexes of Ferrocenyl Polyphosphines: Aurophilic Gold Chloride Formation and Phosphine-Concerted Shuttling of a Dinuclear [ClAu···AuCl] Fragment.","Inorganic chemistry","2016","55","21","10907","10921","10.1021/acs.inorgchem.6b01318","","x-ray","0.71073","MoKα","","0.0288","0.0193","","","0.0355","0.0377","","","","","","1.074","","","","has coordinates","233064","2020-10-21","18:00:00",""
"4348538","13.5986","0.0001","21.2402","0.0002","31.0125","0.0003","90","","90","","90","","8957.56","0.14","173","2","173","2","","","","","","","synthesis","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 Ag2 F6 N6 O10 S2 -","- C36 H46 Ag2 F6 N6 O10 S2 -","- C288 H368 Ag16 F48 N48 O80 S16 -","8","2","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0472","0.0442","","","0.1175","0.1218","","","","","","1.025","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348539","12.8183","0.0002","16.1215","0.0002","23.4147","0.0004","90","","90","","90","","4838.65","0.13","100","2","100","2","","","","","","","synthesis","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H38 Ag2 F6 N6 O10 S2 -","- C52 H38 Ag2 F6 N6 O10 S2 -","- C208 H152 Ag8 F24 N24 O40 S8 -","4","1","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0404","0.0348","","","0.079","0.0829","","","","","","1.046","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348540","18.8039","0.0003","12.5654","0.0001","21.0568","0.0003","90","","111.442","0.002","90","","4630.92","0.12","123","2","123","2","","","","","","","synthesis","7","P 1 21 1","P 2yb","4","","","","- C44 H42 Ag2 F6 N6 O10 S2 -","- C44 H42 Ag2 F6 N6 O10 S2 -","- C176 H168 Ag8 F24 N24 O40 S8 -","4","2","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0635","0.052","","","0.1304","0.1416","","","","","","1.017","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348541","23.8574","0.0006","15.1992","0.0003","11.4192","0.0002","90","","103.804","0.002","90","","4021.16","0.15","123","2","123","2","","","","","","","synthesis","8","C 1 2 1","C 2y","5","","","","- C34.5 H47 Ag Cl F6 N6 O4 Sb -","- C34.5 H47 Ag Cl F6 N6 O4 Sb -","- C138 H188 Ag4 Cl4 F24 N24 O16 Sb4 -","4","1","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0428","0.0386","","","0.1042","0.1087","","","","","","1.085","","","","has coordinates","233068","2020-10-21","18:00:00",""
"4348542","12.818","0.005","11.676","0.005","14.992","0.005","90","0.005","95.998","0.005","90","0.005","2231.5","1.5","100","2","100","2","","","","","","","synthesis","8","P 1 21 1","P 2yb","4","","","","- C51 H40 Ag B Cl2 F4 N6 O4 -","- C51 H40 Ag B Cl2 F4 N6 O4 -","- C102 H80 Ag2 B2 Cl4 F8 N12 O8 -","2","1","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0527","0.0525","","","0.1411","0.1414","","","","","","1.057","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348543","13.6217","0.0005","21.2392","0.0008","13.9381","0.0006","90","","117.097","0.005","90","","3589.9","0.3","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C78 H59 Ag2 Cl2 F6 N9 O12 S2 -","- C78 H59 Ag2 Cl2 F6 N9 O12 S2 -","- C156 H118 Ag4 Cl4 F12 N18 O24 S4 -","2","1","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0864","0.0685","","","0.1857","0.2076","","","","","","1.026","","","","has coordinates","233068","2020-10-21","18:00:00",""
"4348544","13.7551","0.0009","21.2733","0.0009","13.9694","0.0008","90","","116.471","0.008","90","","3659.1","0.4","150","1","150","2","","","","","","","synthesis","8","P 1 21 1","P 2yb","4","","","","- C76 H59 Ag2 Cl2 F12 N9 O6 Sb2 -","- C76 H59 Ag2 Cl2 F12 N9 O6 Sb2 -","- C152 H118 Ag4 Cl4 F24 N18 O12 Sb4 -","2","1","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0851","0.0774","","","0.2223","0.2308","","","","","","1.088","","","","has coordinates","233068","2020-10-21","18:00:00",""
"4348545","9.9624","0.0002","27.3747","0.0006","18.1167","0.0003","90","","95.148","0.002","90","","4920.82","0.17","123","2","123","2","","","","","","","synthesis","6","P 1 21 1","P 2yb","4","","","","- C39 H57 Au4 Cl4 N6 O5.5 -","- C39 H57 Au4 Cl4 N6 O5.5 -","- C156 H228 Au16 Cl16 N24 O22 -","4","2","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0504","0.0474","","","0.1233","0.1263","","","","","","1.04","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4348546","9.3781","0.0018","18.8","0.004","21.954","0.005","90","","90","","90","","3870.7","1.4","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C44 H30 Co O14 -","- C44 H30 Co O14 -","- C176 H120 Co4 O56 -","4","0.5","","Yan, Wei; Han, Li-Juan; Jia, Hai-Lang; Shen, Kang; Wang, Ting; Zheng, He-Gen","Three Highly Stable Cobalt MOFs Based on ""Y""-Shaped Carboxylic Acid: Synthesis and Absorption of Anionic Dyes.","Inorganic chemistry","2016","55","17","8816","8821","10.1021/acs.inorgchem.6b01328","","","0.71073","MoKα","","0.0498","0.0397","","","0.0941","0.099","","","","","","1.069","","","","has coordinates","233071","2020-10-21","18:00:00",""
"4348547","9.0318","0.0013","14.344","0.002","14.923","0.002","116.811","0.002","94.012","0.002","98.805","0.002","1683.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 Co N4 O8 -","- C40 H30 Co N4 O8 -","- C80 H60 Co2 N8 O16 -","2","1","","Yan, Wei; Han, Li-Juan; Jia, Hai-Lang; Shen, Kang; Wang, Ting; Zheng, He-Gen","Three Highly Stable Cobalt MOFs Based on ""Y""-Shaped Carboxylic Acid: Synthesis and Absorption of Anionic Dyes.","Inorganic chemistry","2016","55","17","8816","8821","10.1021/acs.inorgchem.6b01328","","","0.71073","MoKα","","0.0585","0.0455","","","0.1365","0.164","","","","","","1.114","","","","has coordinates","233071","2020-10-21","18:00:00",""
"4348548","11.4194","0.0005","11.5003","0.0004","12.9926","0.0005","69.918","0.001","81.255","0.001","87.569","0.001","1583.82","0.11","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H54 Co3 N6 O16 -","- C74 H54 Co3 N6 O16 -","- C74 H54 Co3 N6 O16 -","1","0.5","","Yan, Wei; Han, Li-Juan; Jia, Hai-Lang; Shen, Kang; Wang, Ting; Zheng, He-Gen","Three Highly Stable Cobalt MOFs Based on ""Y""-Shaped Carboxylic Acid: Synthesis and Absorption of Anionic Dyes.","Inorganic chemistry","2016","55","17","8816","8821","10.1021/acs.inorgchem.6b01328","","","0.71073","MoKα","","0.0606","0.0502","","","0.138","0.1455","","","","","","1.108","","","","has coordinates","233071","2020-10-21","18:00:00",""
"4348549","23.209","0.005","33.798","0.005","14.531","0.005","90","","90","","90","","11398","5","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C50 H72.5 Cl3 N7.5 O53 S6 V15 -","- C36 H12 Cl3 O51 S6 V15 -","- C144 H48 Cl12 O204 S24 V60 -","4","0.25","","Zhang, Yuteng; Wang, Xinlong; Li, Shuangbao; Song, Baiqiao; Shao, Kuizhan; Su, Zhongmin","Ligand-Directed Assembly of Polyoxovanadate-Based Metal-Organic Polyhedra.","Inorganic chemistry","2016","55","17","8770","8775","10.1021/acs.inorgchem.6b01338","","","0.71069","MoKα","","0.0525","0.0394","","","0.1153","0.1229","","","","","","1.071","","","","has coordinates","233074","2020-10-21","18:00:00",""
"4348550","30.062","0.005","30.062","0.005","30.062","0.005","90","","90","","90","","27168","8","293","2","293","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C89.5 H119 Cl4 N11 O71.5 V20 -","- C64 H32 Cl4 O68 V20 -","- C384 H192 Cl24 O408 V120 -","6","0.125","","Zhang, Yuteng; Wang, Xinlong; Li, Shuangbao; Song, Baiqiao; Shao, Kuizhan; Su, Zhongmin","Ligand-Directed Assembly of Polyoxovanadate-Based Metal-Organic Polyhedra.","Inorganic chemistry","2016","55","17","8770","8775","10.1021/acs.inorgchem.6b01338","","","0.71069","MoKα","","0.0857","0.0513","","","0.1512","0.1987","","","","","","0.997","","","","has coordinates","233074","2020-10-21","18:00:00",""
"4348551","36.44","0.005","36.44","0.005","36.44","0.005","90","","90","","90","","48388","11","293","2","293","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C193 H227 Cl6 N20 O110.5 V30 -","- C144 Cl6 O102 V30 -","- C576 Cl24 O408 V120 -","4","0.0208333","","Zhang, Yuteng; Wang, Xinlong; Li, Shuangbao; Song, Baiqiao; Shao, Kuizhan; Su, Zhongmin","Ligand-Directed Assembly of Polyoxovanadate-Based Metal-Organic Polyhedra.","Inorganic chemistry","2016","55","17","8770","8775","10.1021/acs.inorgchem.6b01338","","","0.71069","MoKα","","0.1139","0.0824","","","0.2526","0.2822","","","","","","1.027","","","","has coordinates,has disorder","233074","2020-10-21","18:00:00",""
"4348552","11.105","0.0004","16.4221","0.0006","13.9815","0.0005","90","","90","","90","","2549.77","0.16","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H30 Co3 N2 O23 S2 -","- C10 H30 Co3 N2 O23 S2 -","- C40 H120 Co12 N8 O92 S8 -","4","0.5","","Guo, Furong; Chen, Cheng; Wang, Kangcai; Zhang, Qinghua; Lin, Zhien","Supramolecular Templating Approach for the Solvent-Free Synthesis of Open-Framework Metal Oxalates.","Inorganic chemistry","2016","55","16","7817","7819","10.1021/acs.inorgchem.6b01341","","x-ray","1.54184","CuKα","","0.1143","0.0739","","","0.1712","0.205","","","","","","1.008","","","","has coordinates","233077","2020-10-21","18:00:00",""
"4348553","15.2321","0.0004","11.482","0.0002","13.4913","0.0004","90","","114.52","0.004","90","","2146.77","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 Bi2 N2 O20 -","- C12 H17 Bi2 N2 O20 -","- C48 H68 Bi8 N8 O80 -","4","1","","Guo, Furong; Chen, Cheng; Wang, Kangcai; Zhang, Qinghua; Lin, Zhien","Supramolecular Templating Approach for the Solvent-Free Synthesis of Open-Framework Metal Oxalates.","Inorganic chemistry","2016","55","16","7817","7819","10.1021/acs.inorgchem.6b01341","","x-ray","0.71073","MoKα","","0.0378","0.0301","","","0.0613","0.064","","","","","","1.104","","","","has coordinates","233078","2020-10-21","18:00:00",""
"4348554","13.3554","0.0002","15.6931","0.0002","10.45393","0.00015","90","","102.455","0.0015","90","","2139.45","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H64 Mn2 N4 O16 -","- C32 H64 Mn2 N4 O16 -","- C64 H128 Mn4 N8 O32 -","2","0.5","","Guo, Furong; Chen, Cheng; Wang, Kangcai; Zhang, Qinghua; Lin, Zhien","Supramolecular Templating Approach for the Solvent-Free Synthesis of Open-Framework Metal Oxalates.","Inorganic chemistry","2016","55","16","7817","7819","10.1021/acs.inorgchem.6b01341","","x-ray","1.54184","CuKα","","0.0571","0.0523","","","0.1444","0.1496","","","","","","1.043","","","","has coordinates","233080","2020-10-21","18:00:00",""
"4348555","25.1335","0.0002","25.1335","0.0002","9.74539","0.00012","90","","90","","90","","6156.09","0.1","292.7","0.18","292.7","0.18","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C11 H16 In N2 O10 -","- C11 H16 In N2 O10 -","- C176 H256 In16 N32 O160 -","16","1","","Guo, Furong; Chen, Cheng; Wang, Kangcai; Zhang, Qinghua; Lin, Zhien","Supramolecular Templating Approach for the Solvent-Free Synthesis of Open-Framework Metal Oxalates.","Inorganic chemistry","2016","55","16","7817","7819","10.1021/acs.inorgchem.6b01341","","x-ray","1.54184","CuKα","","0.0432","0.0409","","","0.103","0.1056","","","","","","1.066","","","","has coordinates","233083","2020-10-21","18:00:00",""
"4348556","26.0767","0.0006","26.0767","0.0006","8.9467","0.0003","90","","90","","90","","6083.7","0.3","293.55","0.1","293.55","0.1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C9 H16 In N2 O10 S -","- C9 H16 In N2 O10 S -","- C144 H256 In16 N32 O160 S16 -","16","1","","Guo, Furong; Chen, Cheng; Wang, Kangcai; Zhang, Qinghua; Lin, Zhien","Supramolecular Templating Approach for the Solvent-Free Synthesis of Open-Framework Metal Oxalates.","Inorganic chemistry","2016","55","16","7817","7819","10.1021/acs.inorgchem.6b01341","","x-ray","0.71073","MoKα","","0.0325","0.0266","","","0.064","0.0684","","","","","","1.033","","","","has coordinates","233085","2020-10-21","18:00:00",""
"4348557","11.1058","0.00011","16.34489","0.00016","14.00636","0.00014","90","","90","","90","","2542.48","0.04","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H30 N2 O23 S2 Zn3 -","- C10 H30 N2 O23 S2 Zn3 -","- C40 H120 N8 O92 S8 Zn12 -","4","0.5","","Guo, Furong; Chen, Cheng; Wang, Kangcai; Zhang, Qinghua; Lin, Zhien","Supramolecular Templating Approach for the Solvent-Free Synthesis of Open-Framework Metal Oxalates.","Inorganic chemistry","2016","55","16","7817","7819","10.1021/acs.inorgchem.6b01341","","x-ray","1.54184","CuKα","","0.0457","0.0441","","","0.1239","0.1261","","","","","","1.061","","","","has coordinates","233087","2020-10-21","18:00:00",""
"4348558","9.6791","0.0004","9.7647","0.0004","15.2953","0.0006","90","","90.132","0.0009","90","","1445.61","0.1","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","matlf04","","","- C12 H36 Cl1.74 Fe1.74 O17.26 V4.26 -","- C12 H36 Cl1.74 Fe1.74 O17.26 V4.26 -","- C24 H72 Cl3.48 Fe3.48 O34.52 V8.52 -","2","0.5","","Li, Feng; VanGelder, Lauren E.; Brennessel, William W.; Matson, Ellen M.","Self-Assembled, Iron-Functionalized Polyoxovanadate Alkoxide Clusters.","Inorganic chemistry","2016","55","15","7332","7334","10.1021/acs.inorgchem.6b01349","","","0.71073","MoKα","","0.075","0.0467","","","0.1231","0.1396","","","","","","1.06","","","","has coordinates,has disorder","233089","2020-10-21","18:00:00",""
"4348559","12.89","0.0007","8.5766","0.0005","18.6133","0.0011","90","","102.501","0.004","90","","2009","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 Au2 N6 P2 S2 -","- C42 H38 Au2 N6 P2 S2 -","- C84 H76 Au4 N12 P4 S4 -","2","0.5","","González-Barcia, Luis M; Romero, María J; González Noya, Ana M; Bermejo, Manuel R.; Maneiro, Marcelino; Zaragoza, Guillermo; Pedrido, Rosa","""The Golden Method"": Electrochemical Synthesis Is an Efficient Route to Gold Complexes.","Inorganic chemistry","2016","55","16","7823","7825","10.1021/acs.inorgchem.6b01362","","x-ray","0.7107","MoKα","","0.0321","0.0244","","","0.0437","0.0455","","","","","","1.032","","","","has coordinates","233091","2020-10-21","18:00:00",""
"4348560","10.798","0.001","22.303","0.002","11.3535","0.0009","90","","91.038","0.004","90","","2733.8","0.4","100","2","100","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C58 H52 Au2 N8 O2 P2 S2 -","- C58 H52 Au2 N8 O2 P2 S2 -","- C116 H104 Au4 N16 O4 P4 S4 -","2","1","","González-Barcia, Luis M; Romero, María J; González Noya, Ana M; Bermejo, Manuel R.; Maneiro, Marcelino; Zaragoza, Guillermo; Pedrido, Rosa","""The Golden Method"": Electrochemical Synthesis Is an Efficient Route to Gold Complexes.","Inorganic chemistry","2016","55","16","7823","7825","10.1021/acs.inorgchem.6b01362","","x-ray","0.7107","MoKα","","0.0825","0.0606","","","0.1342","0.1446","","","","","","1.004","","","","has coordinates","233091","2020-10-21","18:00:00",""
"4348561","12.3325","0.0007","17.5209","0.001","13.345","0.0007","90","","92.571","0.001","90","","2880.6","0.3","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","[FeTFPPBr8(2-MeHIm)]","","","- C53 H16 Br8 Cl2 F20 Fe N6 O -","- C52.999 H16 Br8 Cl2.001 F20 Fe N6 O -","- C105.998 H32 Br16 Cl4.002 F40 Fe2 N12 O2 -","2","0.5","","Hu, Bin; He, Mingrui; Yao, Zhen; Schulz, Charles E.; Li, Jianfeng","Unique Axial Imidazole Geometries of Fully Halogenated Iron(II) Porphyrin Complexes: Crystal Structures and Mössbauer Spectroscopic Studies.","Inorganic chemistry","2016","55","19","9632","9643","10.1021/acs.inorgchem.6b01364","","","0.71073","MoKα","","0.0697","0.0493","","","0.1081","0.1171","","","","","","1.054","","","","has coordinates,has disorder","233094","2020-10-21","18:00:00",""
"4348562","14.4655","0.0004","14.5702","0.0006","15.1292","0.0008","115.772","0.005","106.42","0.003","90.825","0.003","2719.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Fe(TFPPBr8)(1-MeIm)2]","","","- C52 H12 Br8 F20 Fe N8 -","- C52 H12 Br8 F20 Fe N8 -","- C104 H24 Br16 F40 Fe2 N16 -","2","1","","Hu, Bin; He, Mingrui; Yao, Zhen; Schulz, Charles E.; Li, Jianfeng","Unique Axial Imidazole Geometries of Fully Halogenated Iron(II) Porphyrin Complexes: Crystal Structures and Mössbauer Spectroscopic Studies.","Inorganic chemistry","2016","55","19","9632","9643","10.1021/acs.inorgchem.6b01364","","","0.71073","MoKα","","0.0647","0.0401","","","0.0816","0.0907","","","","","","1.045","","","","has coordinates","233096","2020-10-21","18:00:00",""
"4348563","14.3704","0.0008","14.3747","0.0007","15.2954","0.0008","78.4159","0.0016","63.6903","0.0017","89.2151","0.0016","2764.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[FeTFPPBr8(1-EtIm)2]","","","- C54 H16 Br8 F20 Fe N8 -","- C54 H16 Br8 F20 Fe N8 -","- C108 H32 Br16 F40 Fe2 N16 -","2","1","","Hu, Bin; He, Mingrui; Yao, Zhen; Schulz, Charles E.; Li, Jianfeng","Unique Axial Imidazole Geometries of Fully Halogenated Iron(II) Porphyrin Complexes: Crystal Structures and Mössbauer Spectroscopic Studies.","Inorganic chemistry","2016","55","19","9632","9643","10.1021/acs.inorgchem.6b01364","","","0.71073","MoKα","","0.066","0.0467","","","0.1023","0.11","","","","","","1.069","","","","has coordinates","233098","2020-10-21","18:00:00",""
"4348564","10.7966","0.0005","26.7015","0.0013","20.2519","0.0012","90","","102.816","0.002","90","","5692.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[FeTFPPBr8(1-MeIm)2]","","","- C53 H14 Br8 Cl2 F20 Fe N8 -","- C53 H14 Br8 Cl2 F20 Fe N8 -","- C212 H56 Br32 Cl8 F80 Fe4 N32 -","4","1","","Hu, Bin; He, Mingrui; Yao, Zhen; Schulz, Charles E.; Li, Jianfeng","Unique Axial Imidazole Geometries of Fully Halogenated Iron(II) Porphyrin Complexes: Crystal Structures and Mössbauer Spectroscopic Studies.","Inorganic chemistry","2016","55","19","9632","9643","10.1021/acs.inorgchem.6b01364","","","0.71073","MoKα","","0.0499","0.0333","","","0.072","0.0782","","","","","","1.017","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348565","11.5","0.0005","9.1978","0.0003","15.3517","0.0004","90","","95.622","0.003","90","","1616.01","0.1","150","0.2","150","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Ag N2 O3 S -","- C16 H17 Ag N2 O3 S -","- C64 H68 Ag4 N8 O12 S4 -","4","1","","Lamming, Glenn; El-Zubir, Osama; Kolokotroni, James; McGurk, Christopher; Waddell, Paul G.; Probert, Michael R.; Houlton, Andrew","Two-Dimensional Frameworks Based on Ag(I)-N Bond Formation: Single Crystal to Single Molecular Sheet Transformation.","Inorganic chemistry","2016","55","19","9644","9652","10.1021/acs.inorgchem.6b01365","","x-ray","1.54184","CuKα","","0.0443","0.0287","","","0.0588","0.0652","","","","","","1.046","","","","has coordinates","233103","2020-10-21","18:00:00",""
"4348566","9.3925","0.0003","9.9084","0.0003","13.2719","0.0004","94.846","0.003","101.249","0.003","102.148","0.003","1174.1","0.07","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C21 H23 Ag F3 N5 O3 S -","- C21 H23 Ag F3 N5 O3 S -","- C42 H46 Ag2 F6 N10 O6 S2 -","2","1","","Lamming, Glenn; El-Zubir, Osama; Kolokotroni, James; McGurk, Christopher; Waddell, Paul G.; Probert, Michael R.; Houlton, Andrew","Two-Dimensional Frameworks Based on Ag(I)-N Bond Formation: Single Crystal to Single Molecular Sheet Transformation.","Inorganic chemistry","2016","55","19","9644","9652","10.1021/acs.inorgchem.6b01365","","","1.54184","CuKα","","0.026","0.0231","","","0.054","0.0555","","","","","","1.062","","","","has coordinates,has disorder","233103","2020-10-21","18:00:00",""
"4348567","8.1169","0.0003","11.048","0.0005","12.3782","0.0005","106.187","0.004","101.424","0.003","102.635","0.003","999.67","0.08","150","0.2","150","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H22 Ag F2 N4 O3 P -","- C18 H22 Ag F2 N4 O3 P -","- C36 H44 Ag2 F4 N8 O6 P2 -","2","1","","Lamming, Glenn; El-Zubir, Osama; Kolokotroni, James; McGurk, Christopher; Waddell, Paul G.; Probert, Michael R.; Houlton, Andrew","Two-Dimensional Frameworks Based on Ag(I)-N Bond Formation: Single Crystal to Single Molecular Sheet Transformation.","Inorganic chemistry","2016","55","19","9644","9652","10.1021/acs.inorgchem.6b01365","","x-ray","1.54184","CuKα","","0.0299","0.0239","","","0.053","0.0555","","","","","","1.019","","","","has coordinates","233103","2020-10-21","18:00:00",""
"4348568","6.0581","0.0004","5.5638","0.0004","23.2277","0.0014","90","","93.8144","0.0019","90","","781.18","0.09","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N4 -","- C18 H20 N4 -","- C36 H40 N8 -","2","0.5","","Lamming, Glenn; El-Zubir, Osama; Kolokotroni, James; McGurk, Christopher; Waddell, Paul G.; Probert, Michael R.; Houlton, Andrew","Two-Dimensional Frameworks Based on Ag(I)-N Bond Formation: Single Crystal to Single Molecular Sheet Transformation.","Inorganic chemistry","2016","55","19","9644","9652","10.1021/acs.inorgchem.6b01365","","x-ray","0.71073","MoKα","","0.0427","0.0395","","","0.1031","0.1063","","","","","","1.053","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348569","16.6724","0.0004","9.2766","0.0002","21.1588","0.0005","90","","95.71","0.002","90","","3256.25","0.13","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H100 Mg N12 O4 -","- C68 H100 Mg N12 O4 -","- C136 H200 Mg2 N24 O8 -","2","0.5","","Chen, Yuxiang; Fang, Wenjuan; Wang, Kang; Liu, Wei; Jiang, Jianzhuang","Nonperipheral Tetrakis(dibutylamino)phthalocyanines. New Types of 1,8,15,22-Tetrakis(substituted)phthalocyanine Isomers.","Inorganic chemistry","2016","55","18","9289","9296","10.1021/acs.inorgchem.6b01371","","","1.54178","CuKα","","0.0776","0.0713","","","0.1977","0.2039","","","","","","1.032","","","","has coordinates","233106","2020-10-21","18:00:00",""
"4348570","12.2314","0.0002","15.5267","0.0002","15.3175","0.0002","90","","92.414","0.001","90","","2906.42","0.07","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H84 N12 Ni -","- C64 H84 N12 Ni -","- C128 H168 N24 Ni2 -","2","0.5","","Chen, Yuxiang; Fang, Wenjuan; Wang, Kang; Liu, Wei; Jiang, Jianzhuang","Nonperipheral Tetrakis(dibutylamino)phthalocyanines. New Types of 1,8,15,22-Tetrakis(substituted)phthalocyanine Isomers.","Inorganic chemistry","2016","55","18","9289","9296","10.1021/acs.inorgchem.6b01371","","","1.54178","CuKα","","0.0674","0.0625","","","0.1676","0.1719","","","","","","1.043","","","","has coordinates,has disorder","233108","2020-10-21","18:00:00",""
"4348571","12.2251","0.0003","15.5805","0.0004","15.2914","0.0004","90","","92.105","0.002","90","","2910.64","0.13","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H86 N12 -","- C64 H86 N12 -","- C128 H172 N24 -","2","0.5","","Chen, Yuxiang; Fang, Wenjuan; Wang, Kang; Liu, Wei; Jiang, Jianzhuang","Nonperipheral Tetrakis(dibutylamino)phthalocyanines. New Types of 1,8,15,22-Tetrakis(substituted)phthalocyanine Isomers.","Inorganic chemistry","2016","55","18","9289","9296","10.1021/acs.inorgchem.6b01371","","","1.54178","CuKα","","0.0741","0.0637","","","0.1762","0.1861","","","","","","1.075","","","","has coordinates,has disorder","233110","2020-10-21","18:00:00",""
"4348572","16.5256","0.0005","9.3003","0.0003","21.1688","0.0007","90","","94.436","0.003","90","","3243.75","0.18","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H100 N12 O4 Zn -","- C68 H100 N12 O4 Zn -","- C136 H200 N24 O8 Zn2 -","2","0.5","","Chen, Yuxiang; Fang, Wenjuan; Wang, Kang; Liu, Wei; Jiang, Jianzhuang","Nonperipheral Tetrakis(dibutylamino)phthalocyanines. New Types of 1,8,15,22-Tetrakis(substituted)phthalocyanine Isomers.","Inorganic chemistry","2016","55","18","9289","9296","10.1021/acs.inorgchem.6b01371","","","1.54178","CuKα","","0.0752","0.0634","","","0.1505","0.1565","","","","","","1.052","","","","has coordinates","233112","2020-10-21","18:00:00",""
"4348573","11.138","0.006","6.934","0.004","13.505","0.008","90","","110.741","0.007","90","","975.4","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 B2 Cl6 P2 -","- C10 H24 B2 Cl6 P2 -","- C20 H48 B4 Cl12 P4 -","2","0.5","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.032","0.0286","","","0.0568","0.058","","","","","","0.969","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348574","10.7029","0.0019","11.82","0.002","19.582","0.004","85.694","0.006","85.145","0.006","77.051","0.005","2401.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H24 B2 I6 P2 -","- C10 H24 B2 I6 P2 -","- C40 H96 B8 I24 P8 -","4","2","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.0215","0.0191","","","0.0391","0.0398","","","","","","0.871","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348575","10.3485","0.0015","13.475","0.002","13.74","0.002","90","","90","","90","","1916","0.5","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C10 H16 B2 Cl6 P2 -","- C10 H16 B2 Cl6 P2 -","- C40 H64 B8 Cl24 P8 -","4","0.5","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.0297","0.0282","","","0.0686","0.0693","","","","","","1.009","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348576","6.636","0.002","19.987","0.008","6.566","0.002","90","","108.286","0.009","90","","826.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 B2 F6 P2 -","- C10 H24 B2 F6 P2 -","- C20 H48 B4 F12 P4 -","2","0.5","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.0483","0.0352","","","0.085","0.0908","","","","","","0.974","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348577","10.446","0.004","10.871","0.004","12.47","0.005","71.531","0.013","86.113","0.014","85.936","0.015","1338.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 B3 F9 O2 P2 -","- C25 H22 B3 F9 O2 P2 -","- C50 H44 B6 F18 O4 P4 -","2","1","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.1488","0.0802","","","0.1983","0.2387","","","","","","0.962","","","","has coordinates","233122","2020-10-21","18:00:00",""
"4348578","5.838","0.006","9.17","0.009","6.675","0.007","90","","113.359","0.011","90","","328.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C3 H9 B F3 P -","- C3 H9 B F3 P -","- C6 H18 B2 F6 P2 -","2","0.5","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.1229","0.0974","","","0.2255","0.24","","","","","","1.01","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348579","9.702","0.002","17.454","0.003","12.615","0.002","90","","97.751","0.004","90","","2116.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 B I5 P2 -","- C10 H16 B I5 P2 -","- C40 H64 B4 I20 P8 -","4","1","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.0403","0.0282","","","0.0597","0.0647","","","","","","1.035","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348580","14.745","0.004","10.796","0.003","13.068","0.003","90","","90","","90","","2080.3","0.9","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H16 B2 Br6 P2 -","- C10 H16 B2 Br6 P2 -","- C40 H64 B8 Br24 P8 -","4","0.5","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.0449","0.0319","","","0.0702","0.0734","","","","","","0.897","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348581","11.412","0.007","7.255","0.004","14.002","0.009","90","","112.219","0.007","90","","1073.2","1.1","446","2","446","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 B2 Br6 P2 -","- C10 H24 B2 Br6 P2 -","- C20 H48 B4 Br12 P4 -","2","0.5","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.0301","0.0249","","","0.0546","0.0557","","","","","","0.918","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348582","8.277","0.003","14.406","0.004","16.214","0.005","90","","90","","90","","1933.3","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 As2 B2 Cl6 -","- C10 H16 As2 B2 Cl6 -","- C40 H64 As8 B8 Cl24 -","4","1","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.023","0.0212","","","0.0408","0.041","","","","","","0.863","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348583","10.944","0.002","11.129","0.002","15.998","0.003","75.57","0.03","82.96","0.03","75.56","0.03","1823.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H35 Eu2 N5 O18 -","- C32 H35 Eu2 N5 O18 -","- C64 H70 Eu4 N10 O36 -","2","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Multifunctional Three-Dimensional Europium Metal-Organic Framework for Luminescence Sensing of Benzaldehyde and Cu(2+) and Selective Capture of Dye Molecules.","Inorganic chemistry","2016","55","16","7826","7828","10.1021/acs.inorgchem.6b01385","","","0.71073","MoKα","","0.0766","0.0638","","","0.1941","0.2088","","","","","","1.019","","","","has coordinates","233134","2020-10-21","18:00:00",""
"4348584","6.193","0.002","18.106","0.012","10.332","0.01","90","","102.42","0.05","90","","1131.4","1.4","150","1","150","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 B8 -","- C8 H14 B8 -","- C32 H56 B32 -","4","1","","Tok, Oleg L.; Bakardjiev, Mario; Štíbr, Bohumil; Hnyk, Drahomír; Holub, Josef; Padělková, Zdenka; Růžička, Aleš","Click Dehydrogenation of Carbon-Substituted nido-5,6-C2B8H12 Carboranes: A General Route to closo-1,2-C2B8H10 Derivatives.","Inorganic chemistry","2016","55","17","8839","8843","10.1021/acs.inorgchem.6b01386","","","0.71073","MoKα","","0.09","0.0582","","","0.1274","0.1484","","","","","","1.109","","","","has coordinates","233136","2020-10-21","18:00:00",""
"4348585","18.6865","0.0006","8.8626","0.0003","16.5367","0.0006","90","","90","","90","","2738.66","0.16","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H34 Cu2 N4 -","- C30 H34 Cu2 N4 -","- C120 H136 Cu8 N16 -","4","0.5","","Back, Oliver; Leppin, Jana; Förster, Christoph; Heinze, Katja","Photochemistry and Redox Chemistry of an Unsymmetrical Bimetallic Copper(I) Complex.","Inorganic chemistry","2016","55","19","9653","9662","10.1021/acs.inorgchem.6b01400","","","0.71073","MoKα","","0.0522","0.0383","","","0.1175","0.1235","","","","","","1.088","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348586","10.021","0.004","10.316","0.004","13.898","0.005","78.506","0.01","88.588","0.01","73.641","0.01","1350.2","0.9","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 Cu N4 -","- C30 H34 Cu N4 -","- C60 H68 Cu2 N8 -","2","1","","Back, Oliver; Leppin, Jana; Förster, Christoph; Heinze, Katja","Photochemistry and Redox Chemistry of an Unsymmetrical Bimetallic Copper(I) Complex.","Inorganic chemistry","2016","55","19","9653","9662","10.1021/acs.inorgchem.6b01400","","","0.71073","MoKα","","0.0614","0.0395","","","0.0937","0.1002","","","","","","0.946","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348587","12.7529","0.0015","13.1754","0.0015","22.021","0.003","85.471","0.003","87.242","0.003","61.687","0.003","3247","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H56 Co2 N7 O23 Tb -","- C61 H56 Co2 N7 O23 Tb -","- C122 H112 Co4 N14 O46 Tb2 -","2","1","","Modak, Ritwik; Sikdar, Yeasin; Thuijs, Annaliese E.; Christou, George; Goswami, Sanchita","Co<sup>II</sup><sub>4</sub>, Co<sup>II</sup><sub>7</sub>, and a Series of Co<sup>II</sup><sub>2</sub>Ln<sup>III</sup> (Ln<sup>III</sup> = Nd<sup>III</sup>, Sm<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>, Dy<sup>III</sup>) Coordination Clusters: Search for Single Molecule Magnets.","Inorganic chemistry","2016","55","20","10192","10202","10.1021/acs.inorgchem.6b01402","","","0.71073","MoKα","","0.0774","0.056","","","0.139","0.1472","","","","","","1.496","","","","has coordinates","233142","2020-10-21","18:00:00",""
"4348588","12.74","0.007","13.141","0.007","21.991","0.012","85.586","0.006","87.413","0.006","61.57","0.006","3228","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H56 Co2 N7 O23 Sm -","- C61 H56 Co2 N7 O23 Sm -","- C122 H112 Co4 N14 O46 Sm2 -","2","1","","Modak, Ritwik; Sikdar, Yeasin; Thuijs, Annaliese E.; Christou, George; Goswami, Sanchita","Co<sup>II</sup><sub>4</sub>, Co<sup>II</sup><sub>7</sub>, and a Series of Co<sup>II</sup><sub>2</sub>Ln<sup>III</sup> (Ln<sup>III</sup> = Nd<sup>III</sup>, Sm<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>, Dy<sup>III</sup>) Coordination Clusters: Search for Single Molecule Magnets.","Inorganic chemistry","2016","55","20","10192","10202","10.1021/acs.inorgchem.6b01402","","","0.71073","MoKα","","0.0872","0.0583","","","0.1707","0.1939","","","","","","0.955","","","","has coordinates","233144","2020-10-21","18:00:00",""
"4348589","24.268","0.003","24.268","0.003","15.248","0.002","90","","90","","90","","8980","2","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C76 H100 Co4 N4 O24 -","- C76 H100 Co4 N4 O24 -","- C304 H400 Co16 N16 O96 -","4","0.25","","Modak, Ritwik; Sikdar, Yeasin; Thuijs, Annaliese E.; Christou, George; Goswami, Sanchita","Co<sup>II</sup><sub>4</sub>, Co<sup>II</sup><sub>7</sub>, and a Series of Co<sup>II</sup><sub>2</sub>Ln<sup>III</sup> (Ln<sup>III</sup> = Nd<sup>III</sup>, Sm<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>, Dy<sup>III</sup>) Coordination Clusters: Search for Single Molecule Magnets.","Inorganic chemistry","2016","55","20","10192","10202","10.1021/acs.inorgchem.6b01402","","","0.71073","MoKα","","0.1195","0.0761","","","0.2482","0.2894","","","","","","1.095","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348590","12.791","0.006","13.184","0.006","22.098","0.01","85.425","0.007","87.323","0.006","61.607","0.005","3268","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H56 Co2 Dy N7 O23 -","- C61 H56 Co2 Dy N7 O23 -","- C122 H112 Co4 Dy2 N14 O46 -","2","1","","Modak, Ritwik; Sikdar, Yeasin; Thuijs, Annaliese E.; Christou, George; Goswami, Sanchita","Co<sup>II</sup><sub>4</sub>, Co<sup>II</sup><sub>7</sub>, and a Series of Co<sup>II</sup><sub>2</sub>Ln<sup>III</sup> (Ln<sup>III</sup> = Nd<sup>III</sup>, Sm<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>, Dy<sup>III</sup>) Coordination Clusters: Search for Single Molecule Magnets.","Inorganic chemistry","2016","55","20","10192","10202","10.1021/acs.inorgchem.6b01402","","","0.71073","MoKα","","0.1066","0.0687","","","0.182","0.2066","","","","","","1.156","","","","has coordinates","233148","2020-10-21","18:00:00",""
"4348591","12.8","0.007","13.248","0.007","22.097","0.012","85.623","0.007","87.339","0.009","61.838","0.006","3294","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H56 Co2 N7 Nd O23 -","- C61 H56 Co2 N7 Nd O23 -","- C122 H112 Co4 N14 Nd2 O46 -","2","1","","Modak, Ritwik; Sikdar, Yeasin; Thuijs, Annaliese E.; Christou, George; Goswami, Sanchita","Co<sup>II</sup><sub>4</sub>, Co<sup>II</sup><sub>7</sub>, and a Series of Co<sup>II</sup><sub>2</sub>Ln<sup>III</sup> (Ln<sup>III</sup> = Nd<sup>III</sup>, Sm<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>, Dy<sup>III</sup>) Coordination Clusters: Search for Single Molecule Magnets.","Inorganic chemistry","2016","55","20","10192","10202","10.1021/acs.inorgchem.6b01402","","","0.71073","MoKα","","0.1103","0.0694","","","0.1942","0.2312","","","","","","0.869","","","","has coordinates","233149","2020-10-21","18:00:00",""
"4348592","12.813","0.005","13.245","0.005","22.177","0.008","85.252","0.004","87.199","0.004","61.691","0.004","3302","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H56 Co2 Gd N7 O23 -","- C61 H56 Co2 Gd N7 O23 -","- C122 H112 Co4 Gd2 N14 O46 -","2","1","","Modak, Ritwik; Sikdar, Yeasin; Thuijs, Annaliese E.; Christou, George; Goswami, Sanchita","Co<sup>II</sup><sub>4</sub>, Co<sup>II</sup><sub>7</sub>, and a Series of Co<sup>II</sup><sub>2</sub>Ln<sup>III</sup> (Ln<sup>III</sup> = Nd<sup>III</sup>, Sm<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>, Dy<sup>III</sup>) Coordination Clusters: Search for Single Molecule Magnets.","Inorganic chemistry","2016","55","20","10192","10202","10.1021/acs.inorgchem.6b01402","","","0.71073","MoKα","","0.1151","0.0738","","","0.1883","0.2078","","","","","","1.107","","","","has coordinates","233150","2020-10-21","18:00:00",""
"4348593","10.433","0.004","16.281","0.005","26.283","0.009","90","","95.661","0.004","90","","4443","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H82 Co7 N8 O26 -","- C90 H82 Co7 N8 O26 -","- C180 H164 Co14 N16 O52 -","2","0.5","","Modak, Ritwik; Sikdar, Yeasin; Thuijs, Annaliese E.; Christou, George; Goswami, Sanchita","Co<sup>II</sup><sub>4</sub>, Co<sup>II</sup><sub>7</sub>, and a Series of Co<sup>II</sup><sub>2</sub>Ln<sup>III</sup> (Ln<sup>III</sup> = Nd<sup>III</sup>, Sm<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>, Dy<sup>III</sup>) Coordination Clusters: Search for Single Molecule Magnets.","Inorganic chemistry","2016","55","20","10192","10202","10.1021/acs.inorgchem.6b01402","","","0.71073","MoKα","","0.1092","0.075","","","0.2286","0.259","","","","","","1.095","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348594","9.1412","0.0011","18.055","0.002","14.566","0.0017","90","","91.265","0.002","90","","2403.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 B10 O9 Os3 S -","- C12 H14 B10 O9 Os3 S -","- C48 H56 B40 O36 Os12 S4 -","4","1","","Adams, Richard D.; Kiprotich, Joseph; Peryshkov, Dmitry V.; Wong, Yuen Onn","Opening of Carborane Cages by Metal Cluster Complexes: The Reaction of a Thiolate-Substituted Carborane with Triosmium Carbonyl Cluster Complexes.","Inorganic chemistry","2016","55","16","8207","8213","10.1021/acs.inorgchem.6b01403","","","0.71073","MoKα","","0.035","0.0327","","","0.0812","0.0821","","","","","","1.154","","","","has coordinates","233153","2020-10-21","18:00:00",""
"4348595","17.2821","0.0013","9.6253","0.0007","26.284","0.002","90","","102.942","0.002","90","","4261.2","0.6","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H28 B20 Cl2 O36 Os12 S2 -","- C43 H28 B20 Cl2 O36 Os12 S2 -","- C86 H56 B40 Cl4 O72 Os24 S4 -","2","0.5","","Adams, Richard D.; Kiprotich, Joseph; Peryshkov, Dmitry V.; Wong, Yuen Onn","Opening of Carborane Cages by Metal Cluster Complexes: The Reaction of a Thiolate-Substituted Carborane with Triosmium Carbonyl Cluster Complexes.","Inorganic chemistry","2016","55","16","8207","8213","10.1021/acs.inorgchem.6b01403","","","0.71073","MoKα","","0.0581","0.0473","","","0.1225","0.132","","","","","","1.024","","","","has coordinates","233153","2020-10-21","18:00:00",""
"4348596","9.5168","0.0007","11.8739","0.001","17.8436","0.0014","77.45","0.002","77.567","0.002","87.628","0.002","1922","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H12 B10 O18 Os6 S -","- C21 H12 B10 O18 Os6 S -","- C42 H24 B20 O36 Os12 S2 -","2","1","","Adams, Richard D.; Kiprotich, Joseph; Peryshkov, Dmitry V.; Wong, Yuen Onn","Opening of Carborane Cages by Metal Cluster Complexes: The Reaction of a Thiolate-Substituted Carborane with Triosmium Carbonyl Cluster Complexes.","Inorganic chemistry","2016","55","16","8207","8213","10.1021/acs.inorgchem.6b01403","","","0.71073","MoKα","","0.0627","0.0332","","","0.0681","0.0785","","","","","","1.053","","","","has coordinates","233153","2020-10-21","18:00:00",""
"4348597","14.4603","0.0012","15.4906","0.0013","16.006","0.0014","90","","115.583","0.002","90","","3233.8","0.5","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 B20 O6 Os3 S2 -","- C12 H28 B20 O6 Os3 S2 -","- C48 H112 B80 O24 Os12 S8 -","4","1","","Adams, Richard D.; Kiprotich, Joseph; Peryshkov, Dmitry V.; Wong, Yuen Onn","Opening of Carborane Cages by Metal Cluster Complexes: The Reaction of a Thiolate-Substituted Carborane with Triosmium Carbonyl Cluster Complexes.","Inorganic chemistry","2016","55","16","8207","8213","10.1021/acs.inorgchem.6b01403","","","0.71073","MoKα","","0.0324","0.0262","","","0.0616","0.0648","","","","","","1.045","","","","has coordinates","233153","2020-10-21","18:00:00",""
"4348598","12.2286","0.0019","12.0151","0.0019","28.33","0.004","90","","97.59","0.003","90","","4126","1.1","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H42 B20 O6 Os3 S2 -","- C18 H42 B20 O6 Os3 S2 -","- C72 H168 B80 O24 Os12 S8 -","4","1","","Adams, Richard D.; Kiprotich, Joseph; Peryshkov, Dmitry V.; Wong, Yuen Onn","Opening of Carborane Cages by Metal Cluster Complexes: The Reaction of a Thiolate-Substituted Carborane with Triosmium Carbonyl Cluster Complexes.","Inorganic chemistry","2016","55","16","8207","8213","10.1021/acs.inorgchem.6b01403","","","0.71073","MoKα","","0.0444","0.0353","","","0.0918","0.0984","","","","","","1.025","","","","has coordinates","233153","2020-10-21","18:00:00",""
"4348599","18.44496","0.0002","18.44496","0.0002","31.7624","0.0003","90","","90","","120","","9358.35","0.17","85","2","85","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C45 H39 Fe4 N3 O18 -","- C45 H39 Fe4 N3 O18 -","- C270 H234 Fe24 N18 O108 -","6","0.333333","","Chow, Chun Y.; Guillot, Régis; Rivière, Eric; Kampf, Jeff W.; Mallah, Talal; Pecoraro, Vincent L.","Synthesis and Magnetic Characterization of Fe(III)-Based 9-Metallacrown-3 Complexes Which Exhibit Magnetorefrigerant Properties.","Inorganic chemistry","2016","55","20","10238","10247","10.1021/acs.inorgchem.6b01404","","","1.54184","CuKα","","0.0452","0.0431","","","0.1243","0.1274","","","","","","1.056","","","","has coordinates","233156","2020-10-21","18:00:00",""
"4348600","10.0578","0.0003","15.0382","0.0005","15.812","0.0005","101.385","0.003","94.968","0.002","109.331","0.003","2182.3","0.13","120","2","120.1","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C46 H41 N10 O12 Zn2 -","- C46 H41 N10 O12 Zn2 -","- C92 H82 N20 O24 Zn4 -","2","1","","Roztocki, Kornel; Jędrzejowski, Damian; Hodorowicz, Maciej; Senkovska, Irena; Kaskel, Stefan; Matoga, Dariusz","Isophthalate-Hydrazone 2D Zinc-Organic Framework: Crystal Structure, Selective Adsorption, and Tuning of Mechanochemical Synthetic Conditions.","Inorganic chemistry","2016","55","19","9663","9670","10.1021/acs.inorgchem.6b01405","","x-ray","0.71073","MoKα","","0.0616","0.044","","","0.1088","0.1211","","","","","","1.057","","","","has coordinates,has disorder","233159","2020-10-21","18:00:00",""
"4348601","22.5687","0.0018","25.648","0.002","21.2994","0.0018","90","","112.113","0.009","90","","11422.1","1.8","130","2","130.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H24 Eu N2 O6 -","- C39 H24 Eu N2 O6 -","- C312 H192 Eu8 N16 O48 -","8","1","","Xu, Hang; Zhai, Bin; Cao, Chun-Shuai; Zhao, Bin","A Bifunctional Europium-Organic Framework with Chemical Fixation of CO<sub>2</sub> and Luminescent Detection of Al<sup>3</sup>.","Inorganic chemistry","2016","55","19","9671","9676","10.1021/acs.inorgchem.6b01407","","","0.71073","MoKα","","0.152","0.0845","","","0.1348","0.1529","","","","","","0.925","","","","has coordinates","233161","2020-10-21","18:00:00",""
"4348602","18.9986","0.0018","20.974","0.002","22.6","0.002","65.179","0.005","87.688","0.005","73.197","0.005","7790.6","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H182 Co2 Gd9 N4 O50 P4 -","- C102 H182 Co2 Gd9 N4 O50 P4 -","- C204 H364 Co4 Gd18 N8 O100 P8 -","2","1","","Sheikh, Javeed Ahmad; Clearfield, Abraham","Heterometallic Co(III)-Gd(III) Clusters as Magnetic Refrigerants.","Inorganic chemistry","2016","55","17","8254","8256","10.1021/acs.inorgchem.6b01414","","","0.71073","MoKα","","0.1046","0.0772","","","0.187","0.2017","","","","","","1.149","","","","has coordinates","233164","2020-10-21","18:00:00",""
"4348603","43.989","0.007","12.6726","0.0018","32.259","0.005","90","","132.478","0.004","90","","13263","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H182 Co2 Gd6 N6 O55 P6 -","- C78 H182 Co2 Gd6 N6 O55 P6 -","- C312 H728 Co8 Gd24 N24 O220 P24 -","4","0.5","","Sheikh, Javeed Ahmad; Clearfield, Abraham","Heterometallic Co(III)-Gd(III) Clusters as Magnetic Refrigerants.","Inorganic chemistry","2016","55","17","8254","8256","10.1021/acs.inorgchem.6b01414","","","0.71073","MoKα","","0.0765","0.0471","","","0.1087","0.1281","","","","","","1.006","","","","has coordinates","233166","2020-10-21","18:00:00",""
"4348604","18.6345","0.0019","18.6345","0.0019","21.563","0.004","90","","90","","120","","6484.5","1.5","296","2","296","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C15 H15 Cd0.5 N2 O4 -","- C15 H15 Cd0.5 N2 O4 -","- C180 H180 Cd6 N24 O48 -","12","1","","Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Wang, Jian-Ping; Wang, Yao-Yu; Zhu, Zhonghua","Structural Diversity of Cadmium(II) Coordination Polymers Induced by Tuning the Coordination Sites of Isomeric Ligands.","Inorganic chemistry","2016","55","17","8871","8880","10.1021/acs.inorgchem.6b01416","","","0.71073","MoKα","","0.0979","0.0725","","","0.1957","0.2117","","","","","","0.987","","","","has coordinates","233169","2020-10-21","18:00:00",""
"4348605","13.678","0.002","12.028","0.002","7.95","0.001","90","","98.861","0.002","90","","1292.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cd N O6 -","- C13 H11 Cd N O6 -","- C52 H44 Cd4 N4 O24 -","4","1","","Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Wang, Jian-Ping; Wang, Yao-Yu; Zhu, Zhonghua","Structural Diversity of Cadmium(II) Coordination Polymers Induced by Tuning the Coordination Sites of Isomeric Ligands.","Inorganic chemistry","2016","55","17","8871","8880","10.1021/acs.inorgchem.6b01416","","","0.71073","MoKα","","0.0337","0.026","","","0.0914","0.1173","","","","","","1.161","","","","has coordinates","233171","2020-10-21","18:00:00",""
"4348606","9.405","0.001","20.389","0.003","31.799","0.004","90","","90","","90","","6097.7","1.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H37 Cd N5 O9 -","- C25 H37 Cd N5 O9 -","- C200 H296 Cd8 N40 O72 -","8","1","","Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Wang, Jian-Ping; Wang, Yao-Yu; Zhu, Zhonghua","Structural Diversity of Cadmium(II) Coordination Polymers Induced by Tuning the Coordination Sites of Isomeric Ligands.","Inorganic chemistry","2016","55","17","8871","8880","10.1021/acs.inorgchem.6b01416","","","0.71073","MoKα","","0.0865","0.0598","","","0.1606","0.1769","","","","","","1.072","","","","has coordinates","233173","2020-10-21","18:00:00",""
"4348607","15.775","0.006","16.035","0.006","33.845","0.014","90","","90","","90","","8561","6","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C26 H14 Cd2 N2 O8 -","- C26 H14 Cd2 N2 O8 -","- C208 H112 Cd16 N16 O64 -","8","0.5","","Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Wang, Jian-Ping; Wang, Yao-Yu; Zhu, Zhonghua","Structural Diversity of Cadmium(II) Coordination Polymers Induced by Tuning the Coordination Sites of Isomeric Ligands.","Inorganic chemistry","2016","55","17","8871","8880","10.1021/acs.inorgchem.6b01416","","","0.71073","MoKα","","0.0926","0.0786","","","0.2012","0.2129","","","","","","1.047","","","","has coordinates","233175","2020-10-21","18:00:00",""
"4348608","21.027","0.002","21.027","0.002","20.5274","0.001","90","","90","","120","","7859.9","1.1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C52 H34 N12 O8 Zn3 -","- C52 H34 N12 O8 Zn3 -","- C156 H102 N36 O24 Zn9 -","3","0.5","","Chen, Di-Ming; Tian, Jia-Yue; Liu, Chun-Sen","Ligand Symmetry Modulation for Designing Mixed-Ligand Metal-Organic Frameworks: Gas Sorption and Luminescence Sensing Properties.","Inorganic chemistry","2016","55","17","8892","8897","10.1021/acs.inorgchem.6b01419","","","0.71073","MoKα","","0.1276","0.0834","","","0.1981","0.233","","","","","","0.991","","","","has coordinates","233176","2020-10-21","18:00:00",""
"4348609","18.399","0.004","18.622","0.004","22.385","0.005","90","","108.83","0.03","90","","7259","3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C156 H106 F6 N12 O16 Tb4 -","- C156 H106 F6 N12 O16 Tb4 -","- C312 H212 F12 N24 O32 Tb8 -","2","0.5","","Gao, Hong-Ling; Jiang, Li; Wang, Wen-Min; Wang, Shi-Yu; Zhang, Hong-Xia; Cui, Jian-Zhong","Single-Molecule-Magnet Behavior and Fluorescence Properties of 8-Hydroxyquinolinate Derivative-Based Rare-Earth Complexes.","Inorganic chemistry","2016","55","17","8898","8904","10.1021/acs.inorgchem.6b01420","","","0.71073","MoKα","","0.0623","0.0478","","","0.1043","0.1118","","","","","","1.083","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348610","21.351","0.002","31.898","0.003","41.764","0.005","90","","95.135","0.004","90","","28329","5","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C149.5 H88 Ag4 F40 N16 O2 -","- C149.5 H88 Ag4 F40 N16 O2 -","- C1196 H704 Ag32 F320 N128 O16 -","8","1","","Ooi, Shota; Tanaka, Takayuki; Osuka, Atsuhiro","Metal Complexes of meso-meso Linked Corrole Dimers.","Inorganic chemistry","2016","55","17","8920","8927","10.1021/acs.inorgchem.6b01422","","","1.54187","CuKα","","0.1256","0.0774","","","0.2024","0.2431","","","","","","1.078","","","","has coordinates,has disorder","233179","2020-10-21","18:00:00",""
"4348611","24.891","0.004","56.715","0.018","28.901","0.007","90","","97.83","0.03","90","","40419","18","93","2","93","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C225.5 H127 Cl Co5 F50 N30 -","- C225.5 H127 Cl Co5 F50 N30 -","- C1804 H1016 Cl8 Co40 F400 N240 -","8","1","","Ooi, Shota; Tanaka, Takayuki; Osuka, Atsuhiro","Metal Complexes of meso-meso Linked Corrole Dimers.","Inorganic chemistry","2016","55","17","8920","8927","10.1021/acs.inorgchem.6b01422","","","1.54187","CuKα","","0.1945","0.0851","","","0.1971","0.2988","","","","","","1.139","","","","has coordinates,has disorder","233181","2020-10-21","18:00:00",""
"4348612","19.465","0.002","31.878","0.004","25.622","0.003","90","","93.941","0.003","90","","15861","3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C177 H57 F40 Ga4 N21 O7 -","- C177 H57 F40 Ga4 N21 O7 -","- C708 H228 F160 Ga16 N84 O28 -","4","1","","Ooi, Shota; Tanaka, Takayuki; Osuka, Atsuhiro","Metal Complexes of meso-meso Linked Corrole Dimers.","Inorganic chemistry","2016","55","17","8920","8927","10.1021/acs.inorgchem.6b01422","","","1.54187","CuKα","","0.1143","0.0858","","","0.2414","0.2741","","","","","","1.072","","","","has coordinates,has disorder","233183","2020-10-21","18:00:00",""
"4348613","18.057","0.004","18.057","0.004","22.425","0.006","90","","90","","90","","7312","3","93","2","93","2","","","","","","","","5","I 41","I 4bw","80","","","","- C39.5 H21 F10 Ga N5 -","- C39.5 H21 F10 Ga N5 -","- C316 H168 F80 Ga8 N40 -","8","1","","Ooi, Shota; Tanaka, Takayuki; Osuka, Atsuhiro","Metal Complexes of meso-meso Linked Corrole Dimers.","Inorganic chemistry","2016","55","17","8920","8927","10.1021/acs.inorgchem.6b01422","","","1.54187","CuKα","","0.0619","0.048","","","0.1212","0.1289","","","","","","1.025","","","","has coordinates,has disorder","233185","2020-10-21","18:00:00",""
"4348614","16.9309","0.0014","31.154","0.004","27.599","0.002","90","","106.111","0.0019","90","","13986","2","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C154.5 H96 Ag4 F40 N16 O10 -","- C154.5 H96 Ag4 F40 N16 O10 -","- C618 H384 Ag16 F160 N64 O40 -","4","1","","Ooi, Shota; Tanaka, Takayuki; Osuka, Atsuhiro","Metal Complexes of meso-meso Linked Corrole Dimers.","Inorganic chemistry","2016","55","17","8920","8927","10.1021/acs.inorgchem.6b01422","","","1.54187","CuKα","","0.0759","0.0659","","","0.175","0.1857","","","","","","1.13","","","","has coordinates,has disorder","233187","2020-10-21","18:00:00",""
"4348615","8.9811","0.0004","15.4169","0.0008","20.7934","0.0011","99.006","0.004","95.653","0.003","98.947","0.003","2786.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H51 Br4 N5 Pt2 -","- C62 H51 Br4 N5 Pt2 -","- C124 H102 Br8 N10 Pt4 -","2","1","","Kang, Jiajia; Zhang, Xiaoxin; Zhou, Huajun; Gai, Xuqiao; Jia, Ting; Xu, Liang; Zhang, Jianjun; Li, Yanqin; Ni, Jun","1-D ""Platinum Wire"" Stacking Structure Built of Platinum(II) Diimine Bis(σ-acetylide) Units with Luminescence in the NIR Region.","Inorganic chemistry","2016","55","20","10208","10217","10.1021/acs.inorgchem.6b01426","","","0.71073","MoKα","","0.0784","0.054","","","0.1387","0.1547","","","","","","1.029","","","","has coordinates,has disorder","233190","2020-10-21","18:00:00",""
"4348616","22.2","0.012","21.156","0.012","13.262","0.007","90","","96.533","0.006","90","","6188","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C241 H194 Br16 Cl2 N16 Pt8 -","- C241 H194.08 Br16 Cl2 N16 Pt8 -","- C241 H194.08 Br16 Cl2 N16 Pt8 -","1","0.125","","Kang, Jiajia; Zhang, Xiaoxin; Zhou, Huajun; Gai, Xuqiao; Jia, Ting; Xu, Liang; Zhang, Jianjun; Li, Yanqin; Ni, Jun","1-D ""Platinum Wire"" Stacking Structure Built of Platinum(II) Diimine Bis(σ-acetylide) Units with Luminescence in the NIR Region.","Inorganic chemistry","2016","55","20","10208","10217","10.1021/acs.inorgchem.6b01426","","","0.71073","MoKα","","0.0906","0.0425","","","0.1093","0.1319","","","","","","1.067","","","","has coordinates","233192","2020-10-21","18:00:00",""
"4348617","10.6084","0.0007","12.866","0.0008","13.3514","0.0009","61.36","0.004","76.813","0.005","83.798","0.005","1557.17","0.19","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H30 Br2 N2 O Pt S -","- C32 H30 Br2 N2 O Pt S -","- C64 H60 Br4 N4 O2 Pt2 S2 -","2","1","","Kang, Jiajia; Zhang, Xiaoxin; Zhou, Huajun; Gai, Xuqiao; Jia, Ting; Xu, Liang; Zhang, Jianjun; Li, Yanqin; Ni, Jun","1-D ""Platinum Wire"" Stacking Structure Built of Platinum(II) Diimine Bis(σ-acetylide) Units with Luminescence in the NIR Region.","Inorganic chemistry","2016","55","20","10208","10217","10.1021/acs.inorgchem.6b01426","","","0.71073","MoKα","","0.0423","0.0325","","","0.073","0.0775","","","","","","1.017","","","","has coordinates,has disorder","233194","2020-10-21","18:00:00",""
"4348618","12.0519","0.001","7.3434","0.0002","21.4669","0.0017","90","","135.213","0.015","90","","1338.4","0.4","156","2","156","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 B N2 Rh -","- C14 H22 B N2 Rh -","- C56 H88 B4 N8 Rh4 -","4","1","","Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Kennedy, Alan R.; Pérez-Carreño, Enrique; Van der Maelen, Juan F.","2-(Methylamido)pyridine-Borane: A Tripod κ(3)-N,H,H Ligand in Trigonal Bipyramidal Rhodium(I) and Iridium(I) Complexes with an Asymmetric Coordination of Its BH3 Group.","Inorganic chemistry","2016","55","17","8905","8912","10.1021/acs.inorgchem.6b01427","","","1.5418","CuKα","","0.0316","0.0303","","","0.0815","0.0901","","","","","","1.132","","","","has coordinates","233196","2020-10-21","18:00:00",""
"4348619","12.0435","0.0003","7.333","0.0001","17.5013","0.0005","90","","120.175","0.004","90","","1336.19","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 B Ir N2 -","- C14 H22 B Ir N2 -","- C56 H88 B4 Ir4 N8 -","4","1","","Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Kennedy, Alan R.; Pérez-Carreño, Enrique; Van der Maelen, Juan F.","2-(Methylamido)pyridine-Borane: A Tripod κ(3)-N,H,H Ligand in Trigonal Bipyramidal Rhodium(I) and Iridium(I) Complexes with an Asymmetric Coordination of Its BH3 Group.","Inorganic chemistry","2016","55","17","8905","8912","10.1021/acs.inorgchem.6b01427","","","1.5418","CuKα","","0.0253","0.0217","","","0.0516","0.054","","","","","","1.014","","","","has coordinates","233196","2020-10-21","18:00:00",""
"4348620","28.6281","0.001","4.218","0.0001","24.0685","0.001","90","","108.352","0.004","90","","2758.53","0.18","100.01","0.1","100.01","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C15 H12 N8 -","- C15 H12 N8 -","- C120 H96 N64 -","8","1","","Preston, Dan; Tucker, Robert A. J.; Garden, Anna L.; Crowley, James D.","Heterometallic [MnPtn(L)2n](x+) Macrocycles from Dichloromethane-Derived Bis-2-pyridyl-1,2,3-triazole Ligands.","Inorganic chemistry","2016","55","17","8928","8934","10.1021/acs.inorgchem.6b01435","","","1.54184","CuKα","","0.0545","0.0505","","","0.1546","0.1637","","","","","","1.361","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348621","9.4761","0.0006","13.2907","0.0005","19.9576","0.0007","71.011","0.003","86.559","0.004","83.594","0.004","2361.2","0.2","100.02","0.1","100.02","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C36 H38 Ag2 F12 N18 O2 Sb2 -","- C36 H38 Ag2 F12 N18 O2 Sb2 -","- C72 H76 Ag4 F24 N36 O4 Sb4 -","2","1","","Preston, Dan; Tucker, Robert A. J.; Garden, Anna L.; Crowley, James D.","Heterometallic [MnPtn(L)2n](x+) Macrocycles from Dichloromethane-Derived Bis-2-pyridyl-1,2,3-triazole Ligands.","Inorganic chemistry","2016","55","17","8928","8934","10.1021/acs.inorgchem.6b01435","","","1.54184","CuKα","","0.1294","0.1085","","","0.2656","0.2865","","","","","","1.526","","","","has coordinates","233199","2020-10-21","18:00:00",""
"4348622","17.4093","0.0016","5.0929","0.0003","20.4991","0.0013","90","","90","","90","","1817.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C15 H12 Ag F0 N8 Sb0 -","- C15 H12 Ag N8 -","- C60 H48 Ag4 N32 -","4","1","","Preston, Dan; Tucker, Robert A. J.; Garden, Anna L.; Crowley, James D.","Heterometallic [MnPtn(L)2n](x+) Macrocycles from Dichloromethane-Derived Bis-2-pyridyl-1,2,3-triazole Ligands.","Inorganic chemistry","2016","55","17","8928","8934","10.1021/acs.inorgchem.6b01435","","","1.54184","CuKα","","0.0652","0.0607","","","0.1798","0.1854","","","","","","1.042","","","","has coordinates","233199","2020-10-21","18:00:00",""
"4348623","14.6109","0.001","17.0217","0.001","19.1823","0.0011","101.962","0.005","102.681","0.006","94.602","0.005","4513.6","0.5","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C54 H67.33 B1.73 F6.93 N16 O5.33 Pt -","- C54 H67.3333 B1.73333 F6.93333 N16 O5.33333 Pt -","- C162 H202 B5.2 F20.8 N48 O16 Pt3 -","3","1.5","","Preston, Dan; Tucker, Robert A. J.; Garden, Anna L.; Crowley, James D.","Heterometallic [MnPtn(L)2n](x+) Macrocycles from Dichloromethane-Derived Bis-2-pyridyl-1,2,3-triazole Ligands.","Inorganic chemistry","2016","55","17","8928","8934","10.1021/acs.inorgchem.6b01435","","","1.54184","CuKα","","0.24","0.0903","","","0.1892","0.2537","","","","","","0.822","","","","has coordinates,has disorder","233199","2020-10-21","18:00:00",""
"4348624","6.2646","0.0002","14.6852","0.0003","17.0756","0.0004","90","","95.581","0.002","90","","1563.46","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 F12 N8 P2 Pt -","- C28 H24 F12 N8 P2 Pt -","- C56 H48 F24 N16 P4 Pt2 -","2","0.5","","Preston, Dan; Tucker, Robert A. J.; Garden, Anna L.; Crowley, James D.","Heterometallic [MnPtn(L)2n](x+) Macrocycles from Dichloromethane-Derived Bis-2-pyridyl-1,2,3-triazole Ligands.","Inorganic chemistry","2016","55","17","8928","8934","10.1021/acs.inorgchem.6b01435","","","1.54184","CuKα","","0.0789","0.071","","","0.1791","0.1895","","","","","","1.348","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348625","16.052","0.003","17.128","0.003","30.019","0.006","90","","91.77","0.03","90","","8249","3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H61 Cl12 N8 Tb -","- C92 H61 Cl12 N8 Tb -","- C368 H244 Cl48 N32 Tb4 -","4","1","","Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji","Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.","Inorganic chemistry","2016","55","17","8935","8942","10.1021/acs.inorgchem.6b01442","","","0.71073","MoKα","","0.0873","0.042","","","0.0903","0.1016","","","","","","0.966","","","","has coordinates,has disorder","233203","2020-10-21","18:00:00",""
"4348626","16.187","0.003","17.231","0.003","30.23","0.006","90","","91.86","0.03","90","","8427","3","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H61 Cl12 N8 Tb -","- C92 H61 Cl12 N8 Tb -","- C368 H244 Cl48 N32 Tb4 -","4","1","","Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji","Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.","Inorganic chemistry","2016","55","17","8935","8942","10.1021/acs.inorgchem.6b01442","","","0.71073","MoKα","","0.086","0.0485","","","0.1065","0.1186","","","","","","1.036","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348627","16.005","0.003","16.98","0.003","29.881","0.006","90","","91.48","0.03","90","","8118","3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H61 Cl12 N8 Y -","- C92 H61 Cl12 N8 Y -","- C368 H244 Cl48 N32 Y4 -","4","1","","Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji","Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.","Inorganic chemistry","2016","55","17","8935","8942","10.1021/acs.inorgchem.6b01442","","","0.71073","MoKα","","0.081","0.0544","","","0.1222","0.1337","","","","","","1.025","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348628","16.064","0.003","17.162","0.003","30.087","0.006","90","","91.74","0.03","90","","8291","3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H61 Cl12 N8 Sm -","- C92 H61 Cl12 N8 Sm -","- C368 H244 Cl48 N32 Sm4 -","4","1","","Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji","Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.","Inorganic chemistry","2016","55","17","8935","8942","10.1021/acs.inorgchem.6b01442","","","0.71073","MoKα","","0.0931","0.0485","","","0.1017","0.1167","","","","","","1.011","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348629","16.035","0.003","17.217","0.003","30.201","0.006","90","","91.44","0.03","90","","8335","3","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H61 Cl12 N8 Nd -","- C92 H61 Cl12 N8 Nd -","- C368 H244 Cl48 N32 Nd4 -","4","1","","Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji","Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.","Inorganic chemistry","2016","55","17","8935","8942","10.1021/acs.inorgchem.6b01442","","","0.71073","MoKα","","0.1144","0.0619","","","0.1302","0.1493","","","","","","1.022","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348630","21.844","0.004","22.269","0.005","30.321","0.006","90","","90","","90","","14749","5","123","2","123","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C90 H59 Cl6 La N8 -","- C90 H56 Cl6 La N8 -","- C720 H448 Cl48 La8 N64 -","8","0.25","","Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji","Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.","Inorganic chemistry","2016","55","17","8935","8942","10.1021/acs.inorgchem.6b01442","","","0.71073","MoKα","","0.0663","0.0613","","","0.1693","0.173","","","","","","1.153","","","","has coordinates,has disorder","233203","2020-10-21","18:00:00",""
"4348631","21.031","0.004","21.522","0.004","31.236","0.006","90","","90","","90","","14138","5","193","2","193","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C90 H61 Cl4 N8 Tb -","- C90 H60 Cl4 N8 Tb -","- C720 H480 Cl32 N64 Tb8 -","8","0.25","","Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji","Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.","Inorganic chemistry","2016","55","17","8935","8942","10.1021/acs.inorgchem.6b01442","","","0.71073","MoKα","","0.0898","0.0887","","","0.2183","0.2188","","","","","","1.365","","","","has coordinates","233203","2020-10-21","18:00:00",""
"4348632","21.762","0.004","22.083","0.004","30.28","0.006","90","","90","","90","","14552","5","123","2","123","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C95 H73 N8 O2 Tb -","- C88 H56 N8 Tb -","- C704 H448 N64 Tb8 -","8","0.25","","Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji","Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.","Inorganic chemistry","2016","55","17","8935","8942","10.1021/acs.inorgchem.6b01442","","","0.71073","MoKα","","0.07","0.0456","","","0.0936","0.1014","","","","","","0.985","","","","has coordinates","233203","2020-10-21","18:00:00",""
"4348633","21.889","0.004","21.89","0.004","30.55","0.006","90","","90","","90","","14638","5","123","2","123","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C100 H68 N8 Tb -","- C100 H68 N8 Tb -","- C800 H544 N64 Tb8 -","8","0.25","","Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji","Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.","Inorganic chemistry","2016","55","17","8935","8942","10.1021/acs.inorgchem.6b01442","","","0.71073","MoKα","","0.083","0.0617","","","0.1134","0.1206","","","","","","1.184","","","","has coordinates,has disorder","233203","2020-10-21","18:00:00",""
"4348634","21.495","0.004","21.68","0.004","31.325","0.006","90","","90","","90","","14598","5","123","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C90 H61 Cl2 N8 Tb -","- C90 H60 Cl2 N8 Tb -","- C720 H480 Cl16 N64 Tb8 -","8","0.25","","Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji","Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.","Inorganic chemistry","2016","55","17","8935","8942","10.1021/acs.inorgchem.6b01442","","","0.71073","MoKα","","0.0819","0.0709","","","0.1694","0.1758","","","","","","1.205","","","","has coordinates","233203","2020-10-21","18:00:00",""
"4348635","16.2547","0.0015","26.168","0.002","22.5135","0.0019","90","","93.339","0.001","90","","9559.9","1.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C73 H159 Br Cr Mo6 N5 O25 -","- C73 H159 Br Cr Mo6 N5 O25 -","- C292 H636 Br4 Cr4 Mo24 N20 O100 -","4","1","","Li, Xin-Xiong; Ma, Xiang; Zheng, Wen-Xu; Qi, Yan-Jie; Zheng, Shou-Tian; Yang, Guo-Yu","Composite Hybrid Cluster Built from the Integration of Polyoxometalate and a Metal Halide Cluster: Synthetic Strategy, Structure, and Properties.","Inorganic chemistry","2016","55","17","8257","8259","10.1021/acs.inorgchem.6b01453","","","0.71073","MoKα","","0.0498","0.0365","","","0.1133","0.1524","","","","","","1.104","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348636","30.941","0.004","30.941","0.004","33.459","0.004","90","","90","","90","","32032","7","296","2","296","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C200 H392 Cr8 Cu8 I6 Mo48 N16 O192 -","- C200 H392 Cr8 Cu8 I6 Mo48 N16 O192 -","- C400 H784 Cr16 Cu16 I12 Mo96 N32 O384 -","2","0.125","","Li, Xin-Xiong; Ma, Xiang; Zheng, Wen-Xu; Qi, Yan-Jie; Zheng, Shou-Tian; Yang, Guo-Yu","Composite Hybrid Cluster Built from the Integration of Polyoxometalate and a Metal Halide Cluster: Synthetic Strategy, Structure, and Properties.","Inorganic chemistry","2016","55","17","8257","8259","10.1021/acs.inorgchem.6b01453","","","0.71073","MoKα","","0.0941","0.0739","","","0.2109","0.2287","","","","","","1.19","","","","has coordinates","233209","2020-10-21","18:00:00",""
"4348637","13.1566","0.0005","15.5873","0.0006","17.2414","0.0008","85.964","0.002","77.737","0.002","83.246","0.002","3427.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(PPN)2Si(NO3)6","","","- C72 H60 N8 O18 P4 Si -","- C72 H60 N8 O18 P4 Si -","- C144 H120 N16 O36 P8 Si2 -","2","1","","Portius, Peter; Peerless, Benjamin; Davis, Martin; Campbell, Rory","Homoleptic Poly(nitrato) Complexes of Group 14 Stable at Ambient Conditions.","Inorganic chemistry","2016","55","17","8976","8984","10.1021/acs.inorgchem.6b01455","","","0.71073","MoKα","","0.1004","0.0512","","","0.0909","0.108","","","","","","0.957","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348638","13.1415","0.0003","15.6102","0.0004","17.3162","0.0004","86.025","0.001","77.541","0.001","83.346","0.001","3441.65","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(PPN)2Ge(NO3)6","","","- C72 H60 Ge N8 O18 P4 -","- C72 H60 Ge N8 O18 P4 -","- C144 H120 Ge2 N16 O36 P8 -","2","1","","Portius, Peter; Peerless, Benjamin; Davis, Martin; Campbell, Rory","Homoleptic Poly(nitrato) Complexes of Group 14 Stable at Ambient Conditions.","Inorganic chemistry","2016","55","17","8976","8984","10.1021/acs.inorgchem.6b01455","","","0.71073","MoKα","","0.0374","0.03","","","0.0763","0.0814","","","","","","1.023","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348639","12.385","0.005","12.436","0.005","16.224","0.005","108.124","0.005","109.863","0.005","111.947","0.005","1885.1","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(PPN)2Sn(NO3)6.2MeCN","","","- C76 H66 N10 O18 P4 Sn -","- C76 H66 N10 O18 P4 Sn -","- C76 H66 N10 O18 P4 Sn -","1","0.5","","Portius, Peter; Peerless, Benjamin; Davis, Martin; Campbell, Rory","Homoleptic Poly(nitrato) Complexes of Group 14 Stable at Ambient Conditions.","Inorganic chemistry","2016","55","17","8976","8984","10.1021/acs.inorgchem.6b01455","","","0.71073","MoKα","","0.038","0.0318","","","0.0761","0.08","","","","","","1.044","","","","has coordinates","233211","2020-10-21","18:00:00",""
"4348640","16.7442","0.0011","19.613","0.0014","19.9989","0.0013","90","","90","","90","","6567.7","0.8","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(PPN)2SnCl(NO3)5","","","- C72 H60 Cl5 N3 O3 P4 Sn -","- C72 H60 Cl5 N3 O3 P4 Sn -","- C288 H240 Cl20 N12 O12 P16 Sn4 -","4","0.5","","Portius, Peter; Peerless, Benjamin; Davis, Martin; Campbell, Rory","Homoleptic Poly(nitrato) Complexes of Group 14 Stable at Ambient Conditions.","Inorganic chemistry","2016","55","17","8976","8984","10.1021/acs.inorgchem.6b01455","","","0.71073","MoKα","","0.0361","0.0296","","","0.0725","0.0764","","","","","","1.022","","","","has coordinates,has disorder","233211","2020-10-21","18:00:00",""
"4348641","10.8535","0.0008","12.4798","0.0011","24.526","0.002","90","","101.867","0.005","90","","3251","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(PPN)NO3.MeCN","","","- C38 H33 N3 O3 P2 -","- C38 H33 N3 O3 P2 -","- C152 H132 N12 O12 P8 -","4","1","","Portius, Peter; Peerless, Benjamin; Davis, Martin; Campbell, Rory","Homoleptic Poly(nitrato) Complexes of Group 14 Stable at Ambient Conditions.","Inorganic chemistry","2016","55","17","8976","8984","10.1021/acs.inorgchem.6b01455","","","0.71073","MoKα","","0.0804","0.0489","","","0.1101","0.1241","","","","","","1.046","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348642","24.723","0.002","11.8714","0.0011","27.514","0.003","90","","116.312","0.002","90","","7238.6","1.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 P2 Pt S3 -","- C43 H32 P2 Pt S3 -","- C344 H256 P16 Pt8 S24 -","8","2","","Cao, Yang; Wolf, Michael O.; Patrick, Brian O.","Dual-Emissive Platinum(II) Metallacycles with Thiophene-Containing Bisacetylide Ligands.","Inorganic chemistry","2016","55","17","8985","8993","10.1021/acs.inorgchem.6b01464","","x-ray","0.71073","MoKα","","0.0469","0.0318","","","0.0581","0.0621","","","","","","1.019","","","","has coordinates","233213","2020-10-21","18:00:00",""
"4348643","16.208","0.002","12.2948","0.0015","19.388","0.002","90","","104.221","0.002","90","","3745.1","0.8","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 Cl2 P2 Pt S2 -","- C42 H32 Cl2 P2 Pt S2 -","- C168 H128 Cl8 P8 Pt4 S8 -","4","1","","Cao, Yang; Wolf, Michael O.; Patrick, Brian O.","Dual-Emissive Platinum(II) Metallacycles with Thiophene-Containing Bisacetylide Ligands.","Inorganic chemistry","2016","55","17","8985","8993","10.1021/acs.inorgchem.6b01464","","x-ray","0.71073","MoKα","","0.0197","0.0169","","","0.0383","0.0393","","","","","","1.026","","","","has coordinates,has disorder","233215","2020-10-21","18:00:00",""
"4348644","16.6719","0.0013","20.041","0.0014","25.0314","0.0018","90","","105.168","0.003","90","","8072.2","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 Cl2 P2 Pt S -","- C48 H38 Cl2 P2 Pt S -","- C384 H304 Cl16 P16 Pt8 S8 -","8","2","","Cao, Yang; Wolf, Michael O.; Patrick, Brian O.","Dual-Emissive Platinum(II) Metallacycles with Thiophene-Containing Bisacetylide Ligands.","Inorganic chemistry","2016","55","17","8985","8993","10.1021/acs.inorgchem.6b01464","","x-ray","0.71073","MoKα","","0.0363","0.0259","","","0.05","0.0527","","","","","","1.031","","","","has coordinates","233217","2020-10-21","18:00:00",""
"4348645","17.444","0.002","23.888","0.003","20.171","0.003","90","","94.2102","0.0015","90","","8382.6","1.9","173","2","173.15","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C48 H70 Co2 N24 Na2 O130 P4 W32 -","- C48 H70 Co2 N24 Na2 O130 P4 W32 -","- C96 H140 Co4 N48 Na4 O260 P8 W64 -","2","0.5","","Guo, Ling-Yu; Zeng, Su-Yuan; Jagličić, Zvonko; Hu, Qi-Dong; Wang, Shi-Xuan; Wang, Zhi; Sun, Di","A Pyridazine-Bridged Sandwiched Cluster Incorporating Planar Hexanuclear Cobalt Ring and Bivacant Phosphotungstate.","Inorganic chemistry","2016","55","17","9006","9011","10.1021/acs.inorgchem.6b01468","","","0.71073","MoKα","","0.105","0.0509","","","0.1069","0.1227","","","","","","0.877","","","","has coordinates","233219","2020-10-21","18:00:00",""
"4348646","12.1218","0.0005","44.069","0.002","13.7866","0.0007","90","","92.743","0.003","90","","7356.3","0.6","173","2","173.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C32 H32 Co9 N16 Na O124 P2 W20 -","- C32 H32 Co9 N16 Na O124 P2 W20 -","- C64 H64 Co18 N32 Na2 O248 P4 W40 -","2","1","","Guo, Ling-Yu; Zeng, Su-Yuan; Jagličić, Zvonko; Hu, Qi-Dong; Wang, Shi-Xuan; Wang, Zhi; Sun, Di","A Pyridazine-Bridged Sandwiched Cluster Incorporating Planar Hexanuclear Cobalt Ring and Bivacant Phosphotungstate.","Inorganic chemistry","2016","55","17","9006","9011","10.1021/acs.inorgchem.6b01468","","","0.71073","MoKα","","0.0508","0.0419","","","0.0958","0.0993","","","","","","0.996","","","","has coordinates","233221","2020-10-21","18:00:00",""
"4348647","14.0063","0.0015","21.093","0.002","14.0094","0.0015","90","","111.545","0.0009","90","","3849.7","0.7","298","2","298.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C24 H35 N12 O66 P2 W18 -","- C24 H24 N12 O68 P2 W18 -","- C48 H48 N24 O136 P4 W36 -","2","0.5","","Guo, Ling-Yu; Zeng, Su-Yuan; Jagličić, Zvonko; Hu, Qi-Dong; Wang, Shi-Xuan; Wang, Zhi; Sun, Di","A Pyridazine-Bridged Sandwiched Cluster Incorporating Planar Hexanuclear Cobalt Ring and Bivacant Phosphotungstate.","Inorganic chemistry","2016","55","17","9006","9011","10.1021/acs.inorgchem.6b01468","","","0.71073","MoKα","","0.0533","0.0403","","","0.1057","0.1158","","","","","","1.011","","","","has coordinates","233221","2020-10-21","18:00:00",""
"4348649","12.321","0.0005","8.9901","0.0004","13.88","0.0006","90","","99.527","0.002","90","","1516.24","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Br Mn N2 O3 -","- C15 H10 Br Mn N2 O3 -","- C60 H40 Br4 Mn4 N8 O12 -","4","1","","Spall, Steven J. P.; Keane, Theo; Tory, Joanne; Cocker, Dean C.; Adams, Harry; Fowler, Hannah; Meijer, Anthony J. H. M.; Hartl, František; Weinstein, Julia A.","Manganese Tricarbonyl Complexes with Asymmetric 2-Iminopyridine Ligands: Toward Decoupling Steric and Electronic Factors in Electrocatalytic CO<sub>2</sub> Reduction.","Inorganic chemistry","2016","55","24","12568","12582","10.1021/acs.inorgchem.6b01477","","","1.54178","CuKα","","0.0657","0.0445","","","0.0823","0.0888","","","","","","1.06","","","","has coordinates,has disorder","233225","2020-10-21","18:00:00",""
"4348650","11.8877","0.0006","16.2378","0.0008","23.995","0.0012","90","","101.064","0.001","90","","4545.7","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","LFeFeCl","","","- C44 H72 Cl Fe2 N4 P3 -","- C44 H72 Cl Fe2 N4 P3 -","- C176 H288 Cl4 Fe8 N16 P12 -","4","1","","Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.","Inorganic chemistry","2016","55","19","9725","9735","10.1021/acs.inorgchem.6b01487","","","0.71073","MoKα","","0.0675","0.0465","","","0.1121","0.1258","","","","","","1.035","","","","has coordinates","233228","2020-10-21","18:00:00",""
"4348651","11.8696","0.0005","16.219","0.0007","24.3507","0.0011","90","","100.565","0.001","90","","4608.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","LFeFeBr","","","- C44 H72 Br Fe2 N4 P3 -","- C44 H72 Br Fe2 N4 P3 -","- C176 H288 Br4 Fe8 N16 P12 -","4","1","","Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.","Inorganic chemistry","2016","55","19","9725","9735","10.1021/acs.inorgchem.6b01487","","","0.71073","MoKα","","0.0646","0.0435","","","0.1052","0.1165","","","","","","1.026","","","","has coordinates","233228","2020-10-21","18:00:00",""
"4348652","15.8611","0.0016","15.8611","0.0016","11.7814","0.0012","90","","90","","120","","2566.8","0.4","173","2","173","2","","","","","","","","5","P 3 2 1","P 3 2""","150","LFe2","","","- C39 H60 Fe2 N4 P3 -","- C39 H60 Fe2 N4 P3 -","- C78 H120 Fe4 N8 P6 -","2","0.333333","","Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.","Inorganic chemistry","2016","55","19","9725","9735","10.1021/acs.inorgchem.6b01487","","","0.71073","MoKα","","0.0608","0.0383","","","0.0662","0.0704","","","","","","0.774","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348653","11.85","0.0007","16.2123","0.001","23.9996","0.0014","90","","101.475","0.001","90","","4518.5","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","LFeCoCl","","","- C44 H72 Cl Co Fe N4 P3 -","- C44 H72 Cl Co Fe N4 P3 -","- C176 H288 Cl4 Co4 Fe4 N16 P12 -","4","1","","Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.","Inorganic chemistry","2016","55","19","9725","9735","10.1021/acs.inorgchem.6b01487","","","0.71073","MoKα","","0.0627","0.0435","","","0.1045","0.1153","","","","","","1.05","","","","has coordinates","233228","2020-10-21","18:00:00",""
"4348654","11.837","0.002","15.715","0.003","11.986","0.002","90","","101.343","0.002","90","","2186.1","0.7","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","LFeCo","","","- C43 H68 Co Fe N4 O P3 -","- C43 H68 Co Fe N4 O P3 -","- C86 H136 Co2 Fe2 N8 O2 P6 -","2","1","","Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.","Inorganic chemistry","2016","55","19","9725","9735","10.1021/acs.inorgchem.6b01487","","","0.71073","MoKα","","0.066","0.0515","","","0.1284","0.1406","","","","","","1.034","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348655","15.339","0.0016","22.659","0.002","17.0592","0.0018","90","","91.217","0.002","90","","5927.9","1","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","LFeFe(ClLi)(THF)3","","","- C53 H88 Cl Fe2 Li N4 O3.5 P3 -","- C53 H88 Cl Fe2 Li N4 O3.5 P3 -","- C212 H352 Cl4 Fe8 Li4 N16 O14 P12 -","4","2","","Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.","Inorganic chemistry","2016","55","19","9725","9735","10.1021/acs.inorgchem.6b01487","","","0.71073","MoKα","","0.182","0.0751","","","0.1267","0.157","","","","","","0.87","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4348656","11.7539","0.0008","16.248","0.0011","23.9122","0.0015","90","","101.641","0.001","90","","4472.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H72 Cl Co1.05 Fe0.95 N4 P3 -","- C44 H72 Cl Co1.054 Fe0.946 N4 P3 -","- C176 H288 Cl4 Co4.216 Fe3.784 N16 P12 -","4","1","","Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.","Inorganic chemistry","2016","55","19","9725","9735","10.1021/acs.inorgchem.6b01487","","","0.4133","synchrotron","","0.1019","0.0545","","","0.1209","0.1406","","","","","","1.022","","","","has coordinates","233231","2020-10-21","18:00:00",""
"4348657","11.9236","0.0007","16.091","0.001","11.9417","0.0007","90","","105.033","0.001","90","","2212.8","0.2","230","2","230","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H68 Co0.95 Fe1.05 N4 O P3 -","- C43 H68 Co0.944 Fe1.056 N4 O P3 -","- C86 H136 Co1.888 Fe2.112 N8 O2 P6 -","2","1","","Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.","Inorganic chemistry","2016","55","19","9725","9735","10.1021/acs.inorgchem.6b01487","","","0.41328","synchrotron","","0.0739","0.0496","","","0.1248","0.1416","","","","","","1.035","","","","has coordinates,has disorder","233231","2020-10-21","18:00:00",""
"4348658","32.409","0.004","16.0452","0.0015","30.388","0.003","90","","121.729","0.003","90","","13440","3","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H120 Cl12 N12 O12 Zn4 -","- C120 H120 Cl12 N12 O12 Zn4 -","- C480 H480 Cl48 N48 O48 Zn16 -","4","0.5","","Hu, Yong; Zhang, Lei; Chang, Fei-Fan; Zhao, Pei-Chen; Feng, Gen-Feng; Zhang, Kun; Huang, Wei","Construction of Chiral [4 + 4] and [2 + 2] Schiff-Base Macrocyclic Zinc(II) Complexes Influenced by Counterions and Pendant Arms.","Inorganic chemistry","2016","55","17","8260","8262","10.1021/acs.inorgchem.6b01493","","","0.71073","MoKα","","0.1201","0.069","","","0.1741","0.193","","","","","","1.068","","","","has coordinates","233234","2020-10-21","18:00:00",""
"4348659","16.7895","0.0012","16.7895","0.0012","25.613","0.004","90","","90","","90","","7220","1.3","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C66 H84 Cl4 N8 O18 Zn2 -","- C66 H84 Cl4 N8 O18 Zn2 -","- C264 H336 Cl16 N32 O72 Zn8 -","4","0.5","","Hu, Yong; Zhang, Lei; Chang, Fei-Fan; Zhao, Pei-Chen; Feng, Gen-Feng; Zhang, Kun; Huang, Wei","Construction of Chiral [4 + 4] and [2 + 2] Schiff-Base Macrocyclic Zinc(II) Complexes Influenced by Counterions and Pendant Arms.","Inorganic chemistry","2016","55","17","8260","8262","10.1021/acs.inorgchem.6b01493","","","0.71073","MoKα","","0.072","0.0436","","","0.1128","0.1299","","","","","","1.009","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348660","14.8383","0.001","14.8383","0.001","33.384","0.005","90","","90","","90","","7350.3","1.3","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C68 H88 Cl4 N8 O16 Zn2 -","- C68 H88 Cl4 N8 O16 Zn2 -","- C272 H352 Cl16 N32 O64 Zn8 -","4","0.5","","Hu, Yong; Zhang, Lei; Chang, Fei-Fan; Zhao, Pei-Chen; Feng, Gen-Feng; Zhang, Kun; Huang, Wei","Construction of Chiral [4 + 4] and [2 + 2] Schiff-Base Macrocyclic Zinc(II) Complexes Influenced by Counterions and Pendant Arms.","Inorganic chemistry","2016","55","17","8260","8262","10.1021/acs.inorgchem.6b01493","","","0.71073","MoKα","","0.0974","0.0517","","","0.1043","0.1177","","","","","","1.002","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348661","14.83","0.002","14.83","0.002","33.197","0.007","90","","90","","90","","7301","2","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C68 H88 Cl4 N8 O16 Zn2 -","- C68 H88 Cl4 N8 O16 Zn2 -","- C272 H352 Cl16 N32 O64 Zn8 -","4","0.5","","Hu, Yong; Zhang, Lei; Chang, Fei-Fan; Zhao, Pei-Chen; Feng, Gen-Feng; Zhang, Kun; Huang, Wei","Construction of Chiral [4 + 4] and [2 + 2] Schiff-Base Macrocyclic Zinc(II) Complexes Influenced by Counterions and Pendant Arms.","Inorganic chemistry","2016","55","17","8260","8262","10.1021/acs.inorgchem.6b01493","","","0.71073","MoKα","","0.0421","0.0399","","","0.0969","0.0979","","","","","","1.079","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348662","13.764","0.004","33.007","0.01","14.389","0.004","90","","111.325","0.004","90","","6089","3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 Cl4 N8 O10 Zn2 -","- C60 H62 Cl4 N8 O10 Zn2 -","- C240 H248 Cl16 N32 O40 Zn8 -","4","1","","Hu, Yong; Zhang, Lei; Chang, Fei-Fan; Zhao, Pei-Chen; Feng, Gen-Feng; Zhang, Kun; Huang, Wei","Construction of Chiral [4 + 4] and [2 + 2] Schiff-Base Macrocyclic Zinc(II) Complexes Influenced by Counterions and Pendant Arms.","Inorganic chemistry","2016","55","17","8260","8262","10.1021/acs.inorgchem.6b01493","","","0.71073","MoKα","","0.0893","0.0528","","","0.1319","0.1499","","","","","","1.031","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348663","18.0878","0.0008","8.7429","0.0003","16.401","0.0007","90","","110.971","0.005","90","","2421.85","0.19","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Br2 N2 O3 Re -","- C20 H29 Br2 N2 O3 Re -","- C80 H116 Br8 N8 O12 Re4 -","4","1","","Frei, Angelo; Sidler, David; Mokolokolo, Pennie; Braband, Henrik; Fox, Thomas; Spingler, Bernhard; Roodt, Andreas; Alberto, Roger","Kinetics and Mechanism of CO Exchange in fac-[MBr2(solvent)(CO)3](-) (M = Re, (99)Tc).","Inorganic chemistry","2016","55","18","9352","9360","10.1021/acs.inorgchem.6b01503","","","0.71073","MoKα","","0.0498","0.0334","","","0.0616","0.0676","","","","","","1.041","","","","has coordinates,has disorder","233238","2020-10-21","18:00:00",""
"4348664","7.3143","0.0003","20.0387","0.0006","12.5146","0.0004","90","","103.754","0.004","90","","1781.66","0.11","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Br2 N O4 Re -","- C12 H20 Br2 N O4 Re -","- C48 H80 Br8 N4 O16 Re4 -","4","1","","Frei, Angelo; Sidler, David; Mokolokolo, Pennie; Braband, Henrik; Fox, Thomas; Spingler, Bernhard; Roodt, Andreas; Alberto, Roger","Kinetics and Mechanism of CO Exchange in fac-[MBr2(solvent)(CO)3](-) (M = Re, (99)Tc).","Inorganic chemistry","2016","55","18","9352","9360","10.1021/acs.inorgchem.6b01503","","","0.71073","MoKα","","0.0353","0.0286","","","0.0626","0.0656","","","","","","1.048","","","","has coordinates","233240","2020-10-21","18:00:00",""
"4348665","14.783","0.003","17.3","0.004","18.904","0.004","70.13","0.03","68.96","0.03","76.69","0.03","4211.3","1.9","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C37.62 H33.42 Cu2 F6 N7.81 O8 S2 -","- C37.606 H33.409 Cu2 F6 N7.803 O8 S2 -","- C150.424 H133.636 Cu8 F24 N31.212 O32 S8 -","4","2","","Isaac, James A.; Gennarini, Federica; López, Isidoro; Thibon-Pourret, Aurore; David, Rolf; Gellon, Gisèle; Gennaro, Béatrice; Philouze, Christian; Meyer, Franc; Demeshko, Serhiy; Le Mest, Yves; Réglier, Marius; Jamet, Hélène; Le Poul, Nicolas; Belle, Catherine","Room-Temperature Characterization of a Mixed-Valent μ-Hydroxodicopper(II,III) Complex.","Inorganic chemistry","2016","55","17","8263","8266","10.1021/acs.inorgchem.6b01504","","x-ray","0.71073","MoKα","","0.1058","0.0474","","","0.1083","0.1478","","","","","","1.039","","","","has coordinates,has disorder","233242","2020-10-21","18:00:00",""
"4348666","19.664","0.0011","18.895","0.001","14.6049","0.0008","90","","90","","90","","5426.5","0.5","193","2","193","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C58 H80 Cl N3 P Rh Si2 -","- C58 H80 Cl N3 P Rh Si2 -","- C232 H320 Cl4 N12 P4 Rh4 Si8 -","4","1","","Troadec, Thibault; Prades, Amparo; Rodriguez, Ricardo; Mirgalet, Raphael; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Silacyclopropylideneplatinum(0) Complex as a Robust and Efficient Hydrosilylation Catalyst.","Inorganic chemistry","2016","55","16","8234","8240","10.1021/acs.inorgchem.6b01505","","","0.71073","MoKα","","0.1324","0.0533","","","0.0773","0.0955","","","","","","0.998","","","","has coordinates,has disorder","233244","2020-10-21","18:00:00",""
"4348667","41.148","0.005","10.4786","0.0014","22.226","0.003","90","","103.36","0.006","90","","9324","2","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H62 Cl3 Cu N3 P Si2 -","- C44 H62 Cl3 Cu N3 P Si2 -","- C352 H496 Cl24 Cu8 N24 P8 Si16 -","8","1","","Troadec, Thibault; Prades, Amparo; Rodriguez, Ricardo; Mirgalet, Raphael; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Silacyclopropylideneplatinum(0) Complex as a Robust and Efficient Hydrosilylation Catalyst.","Inorganic chemistry","2016","55","16","8234","8240","10.1021/acs.inorgchem.6b01505","","","0.71073","MoKα","","0.1512","0.06","","","0.1156","0.1445","","","","","","1.011","","","","has coordinates,has disorder","233244","2020-10-21","18:00:00",""
"4348668","12.3136","0.0008","23.9606","0.0016","21.0017","0.0014","90","","95.833","0.002","90","","6164.3","0.7","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H64 Au Cl13 N3 P Si2 -","- C47 H64 Au Cl13 N3 P Si2 -","- C188 H256 Au4 Cl52 N12 P4 Si8 -","4","1","","Troadec, Thibault; Prades, Amparo; Rodriguez, Ricardo; Mirgalet, Raphael; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Silacyclopropylideneplatinum(0) Complex as a Robust and Efficient Hydrosilylation Catalyst.","Inorganic chemistry","2016","55","16","8234","8240","10.1021/acs.inorgchem.6b01505","","","0.71073","MoKα","","0.048","0.0308","","","0.0722","0.0792","","","","","","1.011","","","","has coordinates,has disorder","233244","2020-10-21","18:00:00",""
"4348669","10.5453","0.0004","20.2719","0.0008","51.465","0.002","90","","93.99","0.003","90","","10975.2","0.7","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51.75 H79.5 Cl1.5 N3 O P Pt Si4 -","- C51.75 H79.5 Cl1.5 N3 O P Pt Si4 -","- C414 H636 Cl12 N24 O8 P8 Pt8 Si32 -","8","2","","Troadec, Thibault; Prades, Amparo; Rodriguez, Ricardo; Mirgalet, Raphael; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Silacyclopropylideneplatinum(0) Complex as a Robust and Efficient Hydrosilylation Catalyst.","Inorganic chemistry","2016","55","16","8234","8240","10.1021/acs.inorgchem.6b01505","","","0.71073","MoKα","","0.0932","0.0485","","","0.0788","0.0915","","","","","","1.022","","","","has coordinates,has disorder","233244","2020-10-21","18:00:00",""
"4348670","18.1136","0.001","18.1136","0.001","47.919","0.002","90","","90","","120","","13615.9","1.2","250","2","250","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C162 H138 Cl8 Fe9 N60 O66 -","- C162 H138 Cl8 Fe9 N60 O66 -","- C324 H276 Cl16 Fe18 N120 O132 -","2","0.166667","","Abhervé, Alexandre; Recio-Carretero, María José; López-Jordà, Maurici; Clemente-Juan, Juan Modesto; Canet-Ferrer, Josep; Cantarero, Andrés; Clemente-León, Miguel; Coronado, Eugenio","Nonanuclear Spin-Crossover Complex Containing Iron(II) and Iron(III) Based on a 2,6-Bis(pyrazol-1-yl)pyridine Ligand Functionalized with a Carboxylate Group.","Inorganic chemistry","2016","55","18","9361","9367","10.1021/acs.inorgchem.6b01508","","","0.71073","MoKα","","0.182","0.0891","","","0.2543","0.3268","","","","","","0.929","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348671","18.1644","0.0006","18.1644","0.0006","48.1237","0.001","90","","90","","120","","13750.9","0.7","120","2","120","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C162 H138 Cl8 Fe9 N60 O66 -","- C162 H138 Cl8 Fe9 N60 O66 -","- C324 H276 Cl16 Fe18 N120 O132 -","2","0.166667","","Abhervé, Alexandre; Recio-Carretero, María José; López-Jordà, Maurici; Clemente-Juan, Juan Modesto; Canet-Ferrer, Josep; Cantarero, Andrés; Clemente-León, Miguel; Coronado, Eugenio","Nonanuclear Spin-Crossover Complex Containing Iron(II) and Iron(III) Based on a 2,6-Bis(pyrazol-1-yl)pyridine Ligand Functionalized with a Carboxylate Group.","Inorganic chemistry","2016","55","18","9361","9367","10.1021/acs.inorgchem.6b01508","","","0.71073","MoKα","","0.1382","0.0672","","","0.2067","0.2664","","","","","","0.833","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348672","8.9899","0.0003","9.6169","0.0003","15.8333","0.0007","92.353","0.003","93.954","0.003","94.633","0.003","1359.65","0.09","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H78 N2 P4 Pt2 -","- C52 H78 N2 P4 Pt2 -","- C52 H78 N2 P4 Pt2 -","1","0.5","","Al-Balushi, Rayya A; Haque, Ashanul; Jayapal, Maharaja; Al-Suti, Mohammed K; Husband, John; Khan, Muhammad S.; Skelton, Jonathan M.; Molloy, Kieran C.; Raithby, Paul R.","Impact of the Alkyne Substitution Pattern and Metalation on the Photoisomerization of Azobenzene-Based Platinum(II) Diynes and Polyynes.","Inorganic chemistry","2016","55","21","10955","10967","10.1021/acs.inorgchem.6b01509","","","0.71073","MoKα","","0.0545","0.0397","","","0.0809","0.0879","","","","","","1.042","","","","has coordinates,has disorder","233252","2020-10-21","18:00:00",""
"4348673","18.7794","0.0004","10.5232","0.0002","14.8114","0.0003","90","","110.929","0.003","90","","2733.91","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H78 N2 P4 Pt2 -","- C52 H78 N2 P4 Pt2 -","- C104 H156 N4 P8 Pt4 -","2","0.5","","Al-Balushi, Rayya A; Haque, Ashanul; Jayapal, Maharaja; Al-Suti, Mohammed K; Husband, John; Khan, Muhammad S.; Skelton, Jonathan M.; Molloy, Kieran C.; Raithby, Paul R.","Impact of the Alkyne Substitution Pattern and Metalation on the Photoisomerization of Azobenzene-Based Platinum(II) Diynes and Polyynes.","Inorganic chemistry","2016","55","21","10955","10967","10.1021/acs.inorgchem.6b01509","","x-ray","0.71073","MoKα","","0.0396","0.0287","","","0.0508","0.0533","","","","","","1.06","","","","has coordinates","233254","2020-10-21","18:00:00",""
"4348674","15.3627","0.0011","17.529","0.0012","20.8212","0.0015","90","","107.921","0.0017","90","","5335","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60.5 H79 N2 Si Te -","- C60.5 H78.431 N2 Si Te -","- C242 H313.724 N8 Si4 Te4 -","4","1","","Lutters, Dennis; Merk, Anastasia; Schmidtmann, Marc; Müller, Thomas","The Silicon Version of Phosphine Chalcogenides: Synthesis and Bonding Analysis of Stabilized Heavy Silaaldehydes.","Inorganic chemistry","2016","55","17","9026","9032","10.1021/acs.inorgchem.6b01510","","","0.71073","MoKα","","0.0583","0.0453","","","0.1213","0.1291","","","","","","1.086","","","","has coordinates,has disorder","233257","2020-10-21","18:00:00",""
"4348675","15.403","0.0008","17.2623","0.0009","20.5674","0.0011","90","","107.359","0.0017","90","","5219.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60.5 H79 N2 S Si -","- C60.5 H79 N2 S Si -","- C242 H316 N8 S4 Si4 -","4","1","","Lutters, Dennis; Merk, Anastasia; Schmidtmann, Marc; Müller, Thomas","The Silicon Version of Phosphine Chalcogenides: Synthesis and Bonding Analysis of Stabilized Heavy Silaaldehydes.","Inorganic chemistry","2016","55","17","9026","9032","10.1021/acs.inorgchem.6b01510","","","0.71073","MoKα","","0.0824","0.0611","","","0.1635","0.1808","","","","","","1.038","","","","has coordinates,has disorder","233258","2020-10-21","18:00:00",""
"4348676","11.2398","0.0005","15.006","0.0006","16.0256","0.0006","82.8145","0.0016","89.6729","0.0015","73.6366","0.0015","2571.86","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H78 N2 Se Si -","- C57 H78 N2 Se Si -","- C114 H156 N4 Se2 Si2 -","2","1","","Lutters, Dennis; Merk, Anastasia; Schmidtmann, Marc; Müller, Thomas","The Silicon Version of Phosphine Chalcogenides: Synthesis and Bonding Analysis of Stabilized Heavy Silaaldehydes.","Inorganic chemistry","2016","55","17","9026","9032","10.1021/acs.inorgchem.6b01510","","","0.71073","MoKα","","0.0455","0.0333","","","0.0844","0.0915","","","","","","1.046","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348677","15.4342","0.0005","8.3442","0.0002","20.5049","0.0007","90","","90.213","0.001","90","","2640.73","0.14","180","2","180","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Fe N4 -","- C30 H34 Fe N4 -","- C120 H136 Fe4 N16 -","4","0.5","","Werncke, C. Gunnar; Bouammali, Mohammed-Amine; Baumard, Julie; Suaud, Nicolas; Martins, Cyril; Guihéry, Nathalie; Vendier, Laure; Zheng, Jianxia; Sortais, Jean-Baptiste; Darcel, Christophe; Sabo-Etienne, Sylviane; Sutter, Jean-Pascal; Bontemps, Sébastien; Pichon, Céline","Ising-type Magnetic Anisotropy and Slow Relaxation of the Magnetization in Four-Coordinate Amido-Pyridine Fe<sup>II</sup> Complexes.","Inorganic chemistry","2016","55","21","10968","10977","10.1021/acs.inorgchem.6b01512","","x-ray","0.71073","MoKα","","0.0499","0.0361","","","0.0908","0.0973","","","","","","1.058","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348678","9.5481","0.0003","16.8873","0.0004","11.0965","0.0003","90","","114.067","0.001","90","","1633.68","0.08","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C36 H46 Fe N4 -","- C36 H46 Fe N4 -","- C72 H92 Fe2 N8 -","2","1","","Werncke, C. Gunnar; Bouammali, Mohammed-Amine; Baumard, Julie; Suaud, Nicolas; Martins, Cyril; Guihéry, Nathalie; Vendier, Laure; Zheng, Jianxia; Sortais, Jean-Baptiste; Darcel, Christophe; Sabo-Etienne, Sylviane; Sutter, Jean-Pascal; Bontemps, Sébastien; Pichon, Céline","Ising-type Magnetic Anisotropy and Slow Relaxation of the Magnetization in Four-Coordinate Amido-Pyridine Fe<sup>II</sup> Complexes.","Inorganic chemistry","2016","55","21","10968","10977","10.1021/acs.inorgchem.6b01512","","","0.71073","MoKα","","0.0201","0.0196","","","0.0513","0.0515","","","","","","1.063","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348679","15.621","0.0005","15.888","0.0007","16.129","0.0006","117.427","0.004","91.352","0.003","116.232","0.004","3054.6","0.3","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C67 H96 Fe N6 -","- C67 H96 Fe N6 -","- C134 H192 Fe2 N12 -","2","1","","Werncke, C. Gunnar; Bouammali, Mohammed-Amine; Baumard, Julie; Suaud, Nicolas; Martins, Cyril; Guihéry, Nathalie; Vendier, Laure; Zheng, Jianxia; Sortais, Jean-Baptiste; Darcel, Christophe; Sabo-Etienne, Sylviane; Sutter, Jean-Pascal; Bontemps, Sébastien; Pichon, Céline","Ising-type Magnetic Anisotropy and Slow Relaxation of the Magnetization in Four-Coordinate Amido-Pyridine Fe<sup>II</sup> Complexes.","Inorganic chemistry","2016","55","21","10968","10977","10.1021/acs.inorgchem.6b01512","","x-ray","0.71073","MoKα","","0.0516","0.0434","","","0.1063","0.1116","","","","","","1.036","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348680","3.95","0.0008","10.568","0.002","18.064","0.004","90","","90","","90","","754.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5-Bromothieno[2,3-d]-1,3-dithiol-2-one","5-Bromothieno[2,3-d]-1,3-dithiol-2-one","","- C5 H Br O S3 -","- C5 H Br O S3 -","- C20 H4 Br4 O4 S12 -","4","1","","Amb, Chad M.; Heth, Christopher L.; Evenson, Sean J.; Pokhodnya, Konstantin I.; Rasmussen, Seth C.","Thiophene-Fused Nickel Dithiolenes: A Synthetic Scaffold for Highly Delocalized π-Electron Systems.","Inorganic chemistry","2016","55","21","10978","10989","10.1021/acs.inorgchem.6b01513","","","0.71073","MoKα","","0.1009","0.0455","","","0.0827","0.1032","","","","","","1.031","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348681","16.996","0.0014","11.3007","0.0009","14.3233","0.0012","90","","95.217","0.001","90","","2739.6","0.4","293","2","566","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Methylpyridinium Bis(bromothienylthiophenedithiolato)nickelate","N-Methylpyridinium Bis((5-(5-bromothienyl)-2,3-thiophenedithiolato)nickelate(III)","","- C22 H14 Br2 N Ni S8 -","- C22 H14 Br2 N Ni S8 -","- C88 H56 Br8 N4 Ni4 S32 -","4","1","","Amb, Chad M.; Heth, Christopher L.; Evenson, Sean J.; Pokhodnya, Konstantin I.; Rasmussen, Seth C.","Thiophene-Fused Nickel Dithiolenes: A Synthetic Scaffold for Highly Delocalized π-Electron Systems.","Inorganic chemistry","2016","55","21","10978","10989","10.1021/acs.inorgchem.6b01513","","","0.71073","MoKα","","0.1166","0.0562","","","0.1535","0.1932","","","","","","1.052","","","","has coordinates","233265","2020-10-21","18:00:00",""
"4348682","17.799","0.003","10.7709","0.0015","16.151","0.002","90","","105.043","0.003","90","","2990.2","0.8","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","Methylpyridinium Bis(phenylthiophenedithiolato)nickelate","N-Methylpyridinium Bis(5-phenyl-2,3-thiophenedithiolato)nickelate(III)","","- C29 H27 N2 Ni O S6 -","- C29 H27 N2 Ni O S6 -","- C116 H108 N8 Ni4 O4 S24 -","4","1","","Amb, Chad M.; Heth, Christopher L.; Evenson, Sean J.; Pokhodnya, Konstantin I.; Rasmussen, Seth C.","Thiophene-Fused Nickel Dithiolenes: A Synthetic Scaffold for Highly Delocalized π-Electron Systems.","Inorganic chemistry","2016","55","21","10978","10989","10.1021/acs.inorgchem.6b01513","","","0.71073","MoKα","","0.0863","0.0487","","","0.1291","0.1519","","","","","","1.038","","","","has coordinates","233265","2020-10-21","18:00:00",""
"4348683","23.5284","0.0013","14.9322","0.0008","21.9348","0.0012","90","","116.1","0.001","90","","6920.5","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H86 Ga2 N4 O2 -","- C84 H86 Ga2 N4 O2 -","- C336 H344 Ga8 N16 O8 -","4","0.5","","Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Yang, Xiao-Juan; Chudakova, Valentina A.; Piskunov, Alexander V.; Demeshko, Serhiy; Baranov, Evgeny V.","Ligand ""Brackets"" for Ga-Ga Bond.","Inorganic chemistry","2016","55","17","9047","9056","10.1021/acs.inorgchem.6b01514","","","0.71073","MoKα","","0.0721","0.0499","","","0.1107","0.1192","","","","","","1.035","","","","has coordinates","233267","2020-10-21","18:00:00",""
"4348684","23.8688","0.0004","14.9155","0.0003","22.1366","0.0004","90","","117.365","0.004","90","","6999.1","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H86 Ga2 N4 O3 -","- C84 H86 Ga2 N4 O3 -","- C336 H344 Ga8 N16 O12 -","4","0.5","","Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Yang, Xiao-Juan; Chudakova, Valentina A.; Piskunov, Alexander V.; Demeshko, Serhiy; Baranov, Evgeny V.","Ligand ""Brackets"" for Ga-Ga Bond.","Inorganic chemistry","2016","55","17","9047","9056","10.1021/acs.inorgchem.6b01514","","","0.71073","MoKα","","0.0436","0.0344","","","0.0854","0.09","","","","","","1.041","","","","has coordinates","233269","2020-10-21","18:00:00",""
"4348685","12.97508","0.00014","12.97508","0.00014","23.9693","0.0004","90","","90","","90","","4035.3","0.09","100","2","100","2","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C76 H90 Ga2 N4 O10 S4 -","- C76 H90 Ga2 N4 O10 S4 -","- C152 H180 Ga4 N8 O20 S8 -","2","0.125","","Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Yang, Xiao-Juan; Chudakova, Valentina A.; Piskunov, Alexander V.; Demeshko, Serhiy; Baranov, Evgeny V.","Ligand ""Brackets"" for Ga-Ga Bond.","Inorganic chemistry","2016","55","17","9047","9056","10.1021/acs.inorgchem.6b01514","","","0.71073","MoKα","","0.0377","0.0365","","","0.0963","0.0976","","","","","","1.066","","","","has coordinates,has disorder","233270","2020-10-21","18:00:00",""
"4348686","14.747","0.0003","13.6449","0.0003","19.1465","0.0005","90","","101.078","0.001","90","","3780.9","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C91 H98 Ga2 N6 -","- C91 H98 Ga2 N6 -","- C182 H196 Ga4 N12 -","2","0.5","","Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Yang, Xiao-Juan; Chudakova, Valentina A.; Piskunov, Alexander V.; Demeshko, Serhiy; Baranov, Evgeny V.","Ligand ""Brackets"" for Ga-Ga Bond.","Inorganic chemistry","2016","55","17","9047","9056","10.1021/acs.inorgchem.6b01514","","","0.71073","MoKα","","0.0614","0.0403","","","0.0972","0.1047","","","","","","1.022","","","","has coordinates,has disorder","233272","2020-10-21","18:00:00",""
"4348687","12.9374","0.0005","14.6037","0.0005","14.7453","0.0005","72.829","0.001","75.429","0.001","67.973","0.001","2436.02","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H124 Ga2 N4 O4 -","- C124 H124 Ga2 N4 O4 -","- C124 H124 Ga2 N4 O4 -","1","0.5","","Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Yang, Xiao-Juan; Chudakova, Valentina A.; Piskunov, Alexander V.; Demeshko, Serhiy; Baranov, Evgeny V.","Ligand ""Brackets"" for Ga-Ga Bond.","Inorganic chemistry","2016","55","17","9047","9056","10.1021/acs.inorgchem.6b01514","","","0.71073","MoKα","","0.0596","0.0496","","","0.1318","0.1382","","","","","","1.058","","","","has coordinates,has disorder","233273","2020-10-21","18:00:00",""
"4348688","12.3566","0.0004","16.3799","0.0006","18.7927","0.0007","71.809","0.001","72.252","0.001","79.35","0.001","3424.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H86.3 Ga2 N4 O4.15 S2 -","- C75 H86.3 Ga2 N4 O4.15 S2 -","- C150 H172.6 Ga4 N8 O8.3 S4 -","2","1","","Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Yang, Xiao-Juan; Chudakova, Valentina A.; Piskunov, Alexander V.; Demeshko, Serhiy; Baranov, Evgeny V.","Ligand ""Brackets"" for Ga-Ga Bond.","Inorganic chemistry","2016","55","17","9047","9056","10.1021/acs.inorgchem.6b01514","","","0.71073","MoKα","","0.0881","0.0531","","","0.125","0.135","","","","","","1.027","","","","has coordinates,has disorder","233274","2020-10-21","18:00:00",""
"4348689","15.0037","0.0008","35.8043","0.0019","18.2681","0.001","90","","110.125","0.001","90","","9214.4","0.9","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H26 Cd N4 O4 -","- C36 H26 Cd N4 O4 -","- C432 H312 Cd12 N48 O48 -","12","3","","Wang, Zhong-Jie; Qin, Ling; Chen, Jin-Xi; Zheng, He-Gen","H-Bonding Interactions Induced Two Isostructural Cd(II) Metal-Organic Frameworks Showing Different Selective Detection of Nitroaromatic Explosives.","Inorganic chemistry","2016","55","21","10999","11005","10.1021/acs.inorgchem.6b01521","","","0.71073","MoKα","","0.0395","0.0351","","","0.0891","0.0915","","","","","","1.023","","","","has coordinates","233276","2020-10-21","18:00:00",""
"4348690","14.8912","0.0008","35.3496","0.0018","18.1589","0.0009","90","","107.305","0.001","90","","9126.1","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H25 Cd N3 O5 -","- C36 H25 Cd N3 O5 -","- C432 H300 Cd12 N36 O60 -","12","3","","Wang, Zhong-Jie; Qin, Ling; Chen, Jin-Xi; Zheng, He-Gen","H-Bonding Interactions Induced Two Isostructural Cd(II) Metal-Organic Frameworks Showing Different Selective Detection of Nitroaromatic Explosives.","Inorganic chemistry","2016","55","21","10999","11005","10.1021/acs.inorgchem.6b01521","","","0.71073","MoKα","","0.0277","0.0256","","","0.0617","0.0627","","","","","","1.052","","","","has coordinates","233276","2020-10-21","18:00:00",""
"4348691","13.45","0.005","23.923","0.008","14.435","0.005","90","","98.121","0.004","90","","4598","3","230","","230","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H114 Br8 Mo6 N2 O14 -","- C80 H114 Br8 Mo6 N2 O14 -","- C160 H228 Br16 Mo12 N4 O28 -","2","0.5","","Fujii, Sho; Horiguchi, Taishiro; Akagi, Soichiro; Kitamura, Noboru","Quasi-One-Step Six-Electron Electrochemical Reduction of an Octahedral Hexanuclear Molybdenum(II) Cluster.","Inorganic chemistry","2016","55","20","10259","10266","10.1021/acs.inorgchem.6b01525","","","0.71075","MoKα","","0.0824","0.0555","","","0.1516","0.1674","","","","","","1.077","","","","has coordinates","233277","2020-10-21","18:00:00",""
"4348692","14.775","","22.208","","14.907","","90","","97.717","","90","","4847.03","","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H90 Br8 Mo6 N14 O36 -","- C74 H90 Br8 Mo6 N14 O36 -","- C148 H180 Br16 Mo12 N28 O72 -","2","0.5","","Fujii, Sho; Horiguchi, Taishiro; Akagi, Soichiro; Kitamura, Noboru","Quasi-One-Step Six-Electron Electrochemical Reduction of an Octahedral Hexanuclear Molybdenum(II) Cluster.","Inorganic chemistry","2016","55","20","10259","10266","10.1021/acs.inorgchem.6b01525","","","0.71075","MoKα","","0.0746","0.0507","","","0.0999","0.1121","","","","","","1.101","","","","has coordinates","233279","2020-10-21","18:00:00",""
"4348693","11.56","0.0009","29.075","0.003","21.4073","0.0018","90","","90","","90","","7195.1","1.1","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C17 H30 Cl6 F6 N8 O2 P6 -","- C17 H30 Cl6 F6 N8 O2 P6 -","- C136 H240 Cl48 F48 N64 O16 P48 -","8","1","","Beşli, Serap; Mutlu Balcı, Ceylan; Cantürk, Hakan; Doğan, Semih; Yuksel, Fatma; Allen, Christopher W.","Unexpected Ring Expansion of a Four-Membered Cyclophosphazane.","Inorganic chemistry","2016","55","16","7832","7834","10.1021/acs.inorgchem.6b01533","","","0.71073","MoKα","","0.0894","0.0587","","","0.1021","0.1119","","","","","","1.154","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348694","11.2331","0.0004","13.1126","0.0005","13.3237","0.0005","82.884","0.002","78.434","0.0018","87.426","0.002","1907.45","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cl6 N8 O2 P6 -","- C24 H36 Cl6 N8 O2 P6 -","- C48 H72 Cl12 N16 O4 P12 -","2","1","","Beşli, Serap; Mutlu Balcı, Ceylan; Cantürk, Hakan; Doğan, Semih; Yuksel, Fatma; Allen, Christopher W.","Unexpected Ring Expansion of a Four-Membered Cyclophosphazane.","Inorganic chemistry","2016","55","16","7832","7834","10.1021/acs.inorgchem.6b01533","","","0.71073","MoKα","","0.07","0.0458","","","0.1065","0.1205","","","","","","1.019","","","","has coordinates,has disorder","233280","2020-10-21","18:00:00",""
"4348695","9.4238","0.0015","16.1699","0.0016","7.5876","0.0011","90","","107.413","0.005","90","","1103.2","0.3","143","2","143","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H16 N2 O14 Zn2 -","- C14 H16 N3.716 O14 Zn2 -","- C28 H32 N7.432 O28 Zn4 -","2","0.25","","Yamada, Teppei; Nankawa, Takuya","High Proton Conductivity of Zinc Oxalate Coordination Polymers Mediated by a Hydrogen Bond with Pyridinium.","Inorganic chemistry","2016","55","17","8267","8270","10.1021/acs.inorgchem.6b01534","","","0.71075","MoKα","","0.03","0.0283","","","0.0759","0.077","","","","","","1.107","","","","has coordinates","233282","2020-10-21","18:00:00",""
"4348696","15.06","0.03","15.76","0.03","9.879","0.019","90","","117.856","0.017","90","","2073","7","143.15","","143","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O12 Zn2 -","- C16 H12 N2 O12 Zn2 -","- C64 H48 N8 O48 Zn8 -","4","0.5","","Yamada, Teppei; Nankawa, Takuya","High Proton Conductivity of Zinc Oxalate Coordination Polymers Mediated by a Hydrogen Bond with Pyridinium.","Inorganic chemistry","2016","55","17","8267","8270","10.1021/acs.inorgchem.6b01534","","","0.71075","MoKα","","0.1927","0.1121","","","0.2698","0.3518","","","","","","0.971","","","","has coordinates,has disorder","233284","2020-10-21","18:00:00",""
"4348697","17.20713","0.00012","16.1735","0.00011","39.3886","0.0003","90","","99.8316","0.0007","90","","10800.8","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C122 H148 Br4 N8 Ni4 -","- C122 H148 Br4 N8 Ni4 -","- C488 H592 Br16 N32 Ni16 -","4","1","","Pelties, Stefan; Carter, Emma; Folli, Andrea; Mahon, Mary F.; Murphy, Damien M.; Whittlesey, Michael K.; Wolf, Robert","Influence of Ring-Expanded N-Heterocyclic Carbenes on the Structures of Half-Sandwich Ni(I) Complexes: An X-ray, Electron Paramagnetic Resonance (EPR), and Electron Nuclear Double Resonance (ENDOR) Study.","Inorganic chemistry","2016","55","21","11006","11017","10.1021/acs.inorgchem.6b01540","","x-ray","1.54184","CuKα","","0.0429","0.0369","","","0.0808","0.0839","","","","","","1.043","","","","has coordinates,has disorder","233288","2020-10-21","18:00:00",""
"4348698","9.0299","0.0002","30.5459","0.0007","9.5199","0.0002","90","","117.041","0.003","90","","2338.79","0.11","150","2","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 N2 Ni -","- C27 H33 N2 Ni -","- C108 H132 N8 Ni4 -","4","1","","Pelties, Stefan; Carter, Emma; Folli, Andrea; Mahon, Mary F.; Murphy, Damien M.; Whittlesey, Michael K.; Wolf, Robert","Influence of Ring-Expanded N-Heterocyclic Carbenes on the Structures of Half-Sandwich Ni(I) Complexes: An X-ray, Electron Paramagnetic Resonance (EPR), and Electron Nuclear Double Resonance (ENDOR) Study.","Inorganic chemistry","2016","55","21","11006","11017","10.1021/acs.inorgchem.6b01540","","x-ray","1.54184","CuKα","","0.0409","0.0365","","","0.0939","0.0979","","","","","","1.036","","","","has coordinates","233288","2020-10-21","18:00:00",""
"4348699","9.03948","0.00005","17.10755","0.00011","32.28154","0.00017","90","","90","","90","","4992.13","0.05","150.01","0.1","150.01","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H35 Br N2 Ni -","- C28 H35 Br N2 Ni -","- C224 H280 Br8 N16 Ni8 -","8","1","","Pelties, Stefan; Carter, Emma; Folli, Andrea; Mahon, Mary F.; Murphy, Damien M.; Whittlesey, Michael K.; Wolf, Robert","Influence of Ring-Expanded N-Heterocyclic Carbenes on the Structures of Half-Sandwich Ni(I) Complexes: An X-ray, Electron Paramagnetic Resonance (EPR), and Electron Nuclear Double Resonance (ENDOR) Study.","Inorganic chemistry","2016","55","21","11006","11017","10.1021/acs.inorgchem.6b01540","","x-ray","1.54184","CuKα","","0.0331","0.0321","","","0.0767","0.0774","","","","","","1.089","","","","has coordinates","233288","2020-10-21","18:00:00",""
"4348700","9.0066","0.0003","9.4373","0.0003","15.9678","0.0005","100.212","0.003","93.339","0.003","113.601","0.003","1211.37","0.08","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H35 N2 Ni -","- C28 H35 N2 Ni -","- C56 H70 N4 Ni2 -","2","1","","Pelties, Stefan; Carter, Emma; Folli, Andrea; Mahon, Mary F.; Murphy, Damien M.; Whittlesey, Michael K.; Wolf, Robert","Influence of Ring-Expanded N-Heterocyclic Carbenes on the Structures of Half-Sandwich Ni(I) Complexes: An X-ray, Electron Paramagnetic Resonance (EPR), and Electron Nuclear Double Resonance (ENDOR) Study.","Inorganic chemistry","2016","55","21","11006","11017","10.1021/acs.inorgchem.6b01540","","x-ray","1.54184","CuKα","","0.0377","0.0358","","","0.0931","0.0947","","","","","","1.059","","","","has coordinates","233288","2020-10-21","18:00:00",""
"4348701","25.7479","0.0004","8.52911","0.00012","27.6462","0.0004","90","","104.152","0.0015","90","","5887.02","0.15","123.01","0.1","123.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32.5 H37 Br N2 Ni O2 -","- C32.5 H37 Br N2 Ni O2 -","- C260 H296 Br8 N16 Ni8 O16 -","8","1","","Pelties, Stefan; Carter, Emma; Folli, Andrea; Mahon, Mary F.; Murphy, Damien M.; Whittlesey, Michael K.; Wolf, Robert","Influence of Ring-Expanded N-Heterocyclic Carbenes on the Structures of Half-Sandwich Ni(I) Complexes: An X-ray, Electron Paramagnetic Resonance (EPR), and Electron Nuclear Double Resonance (ENDOR) Study.","Inorganic chemistry","2016","55","21","11006","11017","10.1021/acs.inorgchem.6b01540","","x-ray","1.54184","CuKα","","0.0322","0.0292","","","0.076","0.0783","","","","","","1.032","","","","has coordinates,has disorder","233288","2020-10-21","18:00:00",""
"4348702","26.0692","0.0004","9.07493","0.00017","21.6239","0.0004","90","","90","","90","","5115.7","0.16","150","0.1","150","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H33 N2 Ni O2 -","- C29 H33 N2 Ni O2 -","- C232 H264 N16 Ni8 O16 -","8","1","","Pelties, Stefan; Carter, Emma; Folli, Andrea; Mahon, Mary F.; Murphy, Damien M.; Whittlesey, Michael K.; Wolf, Robert","Influence of Ring-Expanded N-Heterocyclic Carbenes on the Structures of Half-Sandwich Ni(I) Complexes: An X-ray, Electron Paramagnetic Resonance (EPR), and Electron Nuclear Double Resonance (ENDOR) Study.","Inorganic chemistry","2016","55","21","11006","11017","10.1021/acs.inorgchem.6b01540","","x-ray","1.54184","CuKα","","0.0483","0.0372","","","0.0982","0.1052","","","","","","1.017","","","","has coordinates,has disorder","233288","2020-10-21","18:00:00",""
"4348703","26.3054","0.0009","9.2","0.0003","21.7175","0.0006","90","","90","","90","","5255.8","0.3","273","0.1","273","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H33 N2 Ni O2 -","- C29 H33 N2 Ni O2 -","- C232 H264 N16 Ni8 O16 -","8","1","","Pelties, Stefan; Carter, Emma; Folli, Andrea; Mahon, Mary F.; Murphy, Damien M.; Whittlesey, Michael K.; Wolf, Robert","Influence of Ring-Expanded N-Heterocyclic Carbenes on the Structures of Half-Sandwich Ni(I) Complexes: An X-ray, Electron Paramagnetic Resonance (EPR), and Electron Nuclear Double Resonance (ENDOR) Study.","Inorganic chemistry","2016","55","21","11006","11017","10.1021/acs.inorgchem.6b01540","","x-ray","1.54184","CuKα","","0.0646","0.0465","","","0.1154","0.126","","","","","","1.028","","","","has coordinates,has disorder","233288","2020-10-21","18:00:00",""
"4348704","11.7269","0.0005","16.6966","0.0006","13.9317","0.0006","90","","104.672","0.004","90","","2638.87","0.19","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56.83 H39.34 Fe2 N20 O0.83 -","- C56.834 H39.336 Fe2 N20 O0.834 -","- C113.668 H78.672 Fe4 N40 O1.668 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","x-ray","0.71073","MoKα","","0.071","0.0506","","","0.1223","0.1366","","","","","","1.047","","","","has coordinates","233291","2020-10-21","18:00:00",""
"4348705","11.468","0.004","17.0057","0.0009","13.7743","0.0006","90","","105.098","0.009","90","","2593.6","0.9","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1147","0.0498","","","0.0671","0.0798","","","","","","1.021","","","","has coordinates","233291","2020-10-21","18:00:00",""
"4348706","11.468","0.004","17.0148","0.001","13.775","0.0005","90","","105.108","0.008","90","","2595","0.9","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1183","0.0504","","","0.0715","0.0855","","","","","","1.011","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348707","11.467","0.004","17.0268","0.001","13.7799","0.0005","90","","105.105","0.008","90","","2597.5","0.9","305","","305","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1209","0.0525","","","0.0768","0.091","","","","","","1.011","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348708","11.47","0.004","17.0473","0.001","13.7884","0.0005","90","","105.126","0.008","90","","2602.7","0.9","310","","310","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1266","0.0548","","","0.0799","0.0956","","","","","","1.016","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348709","11.462","0.004","17.06","0.001","13.7882","0.0005","90","","105.119","0.008","90","","2602.8","0.9","315","","315","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1296","0.0563","","","0.0795","0.0944","","","","","","1.028","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348710","11.459","0.004","17.0862","0.001","13.7949","0.0005","90","","105.134","0.008","90","","2607.2","0.9","320","","320","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.136","0.0556","","","0.0782","0.0946","","","","","","1.023","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348711","11.455","0.004","17.1211","0.001","13.801","0.0005","90","","105.147","0.008","90","","2612.6","0.9","325","","325","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1404","0.0585","","","0.0811","0.0979","","","","","","1.019","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348712","11.441","0.004","17.1522","0.001","13.8033","0.0005","90","","105.148","0.008","90","","2614.6","0.9","330","","330","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1595","0.0623","","","0.0781","0.0956","","","","","","1.005","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348713","11.432","0.004","17.21","0.001","13.8091","0.0005","90","","105.174","0.008","90","","2622.1","0.9","335","","335","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1664","0.062","","","0.0844","0.1052","","","","","","1.018","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348714","11.417","0.004","17.2685","0.001","13.8166","0.0005","90","","105.189","0.008","90","","2628.8","0.9","340","","340","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1746","0.0636","","","0.0835","0.1055","","","","","","1.009","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348715","11.391","0.004","17.351","0.001","13.818","0.0005","90","","105.264","0.008","90","","2634.7","0.9","345","","345","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1798","0.0678","","","0.0957","0.1192","","","","","","1.013","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348716","11.352","0.004","17.4721","0.001","13.82","0.0005","90","","105.35","0.008","90","","2643.3","1","350","","350","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1848","0.0658","","","0.1022","0.129","","","","","","1","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348717","11.269","0.004","17.6897","0.001","13.8184","0.0005","90","","105.594","0.008","90","","2653.2","1","355","","355","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.2195","0.0709","","","0.1131","0.1496","","","","","","0.993","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348718","11.088","0.004","18.1975","0.001","13.8106","0.0005","90","","106.036","0.008","90","","2678.2","1","360","","360","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.2662","0.0899","","","0.1539","0.2079","","","","","","0.999","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348719","10.971","0.004","18.5225","0.001","13.7943","0.0005","90","","106.271","0.008","90","","2690.9","1","365","","365","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.2405","0.0791","","","0.1272","0.1709","","","","","","1.006","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348720","10.932","0.004","18.6374","0.001","13.7875","0.0005","90","","106.37","0.008","90","","2695.2","1","370","","370","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.2354","0.079","","","0.1353","0.181","","","","","","0.989","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348721","10.908","0.004","18.7029","0.001","13.781","0.0005","90","","106.433","0.008","90","","2696.6","1","375","","375","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.244","0.0773","","","0.1391","0.1869","","","","","","1.002","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348722","10.894","0.004","18.7523","0.0009","13.775","0.0006","90","","106.492","0.009","90","","2698.3","1","380","","380","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.2403","0.0768","","","0.1121","0.1485","","","","","","0.998","","","","has coordinates","233291","2020-10-21","18:00:00",""
"4348723","9.669","0.001","24.658","0.002","11.567","0.001","90","","102.631","0.006","90","","2691","0.4","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 Fe2 N20 O2 -","- C60 H48 Fe2 N20 O2 -","- C120 H96 Fe4 N40 O4 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","x-ray","0.71073","MoKα","","0.0886","0.0582","","","0.1231","0.14","","","","","","1.027","","","","has coordinates","233291","2020-10-21","18:00:00",""
"4348724","9.6831","0.0012","25.065","0.003","12.0485","0.0016","90","","103.711","0.014","90","","2840.9","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 Fe2 N20 O2 -","- C60 H48 Fe2 N20 O2 -","- C120 H96 Fe4 N40 O4 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","x-ray","0.71073","MoKα","","0.1575","0.071","","","0.0989","0.127","","","","","","0.959","","","","has coordinates","233291","2020-10-21","18:00:00",""
"4348725","11.64","0.0007","14.8686","0.0008","25.7249","0.0016","90","","90","","90","","4452.2","0.5","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H69 N3 P3 Ti -","- C42 H69 N3 P3 Ti -","- C168 H276 N12 P12 Ti4 -","4","1","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.0426","0.0361","","0.0871","0.0846","0.0871","","","","","","0.975","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348726","38.397","0.003","15.7163","0.0014","15.2617","0.0014","90","","90","","90","","9209.8","1.4","120","","120","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C42 H69 Br Fe N3 P3 Ti -","- C42 H69 Br Fe N3 P3 Ti -","- C336 H552 Br8 Fe8 N24 P24 Ti8 -","8","1","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.0535","0.0349","","0.0707","0.0664","0.0707","","","","","","0.9593","","","","has coordinates","233294","2020-10-21","18:00:00",""
"4348727","16.8903","0.0011","16.9247","0.001","19.5421","0.0012","91.954","0.003","101.682","0.003","119.25","0.003","4714.9","0.5","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H71.5 Cl N3 Ni O0.25 P3 Ti -","- C43 H71.5 Cl N3 Ni O0.25 P3 Ti -","- C172 H286 Cl4 N12 Ni4 O P12 Ti4 -","4","2","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.073","0.0576","","0.1769","0.1667","0.1769","","","","","","0.9658","","","","has coordinates,has disorder","233294","2020-10-21","18:00:00",""
"4348728","12.711","0.0004","22.479","0.0007","17.3934","0.0005","90","","99.6653","0.0015","90","","4899.3","0.3","200","","200","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H77 Cl N3 Ni O P3 Ti -","- C46 H77 Cl N3 Ni O P3 Ti -","- C184 H308 Cl4 N12 Ni4 O4 P12 Ti4 -","4","1","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.039","0.0341","","0.0885","0.0839","0.0885","","","","","","1.0263","","","","has coordinates,has disorder","233294","2020-10-21","18:00:00",""
"4348729","13.491","0.0005","11.0224","0.0004","16.4169","0.0006","90","","103.855","0.0017","90","","2370.21","0.15","120","","120","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C42 H69 Cl Cu I N3 P3 Ti -","- C42 H69 Cl Cu I N3 P3 Ti -","- C84 H138 Cl2 Cu2 I2 N6 P6 Ti2 -","2","1","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.0281","0.0251","","0.057","0.0552","0.057","","","","","","0.9958","","","","has coordinates","233294","2020-10-21","18:00:00",""
"4348730","12.9098","0.0005","13.4144","0.0005","14.7491","0.0006","78.727","0.002","77.492","0.002","71.837","0.002","2346.68","0.16","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H69 N3 P3 V -","- C42 H69 N3 P3 V -","- C84 H138 N6 P6 V2 -","2","1","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.0518","0.036","","0.0959","0.0836","0.0959","","","","","","1.0081","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348731","15.3754","0.0007","38.6991","0.0018","15.8446","0.0007","90","","90.041","0.002","90","","9427.8","0.7","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H69 Fe I N3 P3 V -","- C42 H69 Fe I N3 P3 V -","- C336 H552 Fe8 I8 N24 P24 V8 -","8","2","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.0483","0.0375","","0.0888","0.081","0.0888","","","","","","0.9939","","","","has coordinates,has disorder","233294","2020-10-21","18:00:00",""
"4348732","12.4894","0.0006","20.4356","0.001","19.512","0.0009","90","","92.771","0.002","90","","4974.2","0.4","120","","120","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H77 Co I N3 O P3 V -","- C46 H77 Co I N3 O P3 V -","- C184 H308 Co4 I4 N12 O4 P12 V4 -","4","1","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.0346","0.0252","","0.0615","0.0568","0.0615","","","","","","0.9801","","","","has coordinates","233294","2020-10-21","18:00:00",""
"4348733","15.7971","0.0006","14.374","0.0006","40.4208","0.0017","90","","90","","90","","9178.3","0.6","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H69 I N3 Ni P3 V -","- C42 H69 I N3 Ni P3 V -","- C336 H552 I8 N24 Ni8 P24 V8 -","8","1","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.0755","0.0473","","0.1244","0.1093","0.1244","","","","","","1.0464","","","","has coordinates","233294","2020-10-21","18:00:00",""
"4348734","11.7987","0.0003","42.8341","0.0012","20.1806","0.0005","90","","90","","90","","10199","0.5","120","","120","","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C46 H79 Cu I N3 O P3 V -","- C46 H79 Cu I N3 O P3 V -","- C368 H632 Cu8 I8 N24 O8 P24 V8 -","8","1","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.0608","0.0424","","0.1188","0.0934","0.1188","","","","","","1","","","","has coordinates,has disorder","233294","2020-10-21","18:00:00",""
"4348735","10.7563","0.0008","10.9109","0.0008","19.8578","0.0014","89.158","0.001","78.882","0.002","60.515","0.001","1981.8","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Co N4 O12 P2 -","- C38 H36 Co N4 O12 P2 -","- C76 H72 Co2 N8 O24 P4 -","2","1","","Chen, Lei; Cui, Hui-Hui; Stavretis, Shelby E.; Hunter, Seth C.; Zhang, Yi-Quan; Chen, Xue-Tai; Sun, Yi-Chen; Wang, Zhenxing; Song, You; Podlesnyak, Andrey A.; Ouyang, Zhong-Wen; Xue, Zi-Ling","Slow Magnetic Relaxations in Cobalt(II) Tetranitrate Complexes. Studies of Magnetic Anisotropy by Inelastic Neutron Scattering and High-Frequency and High-Field EPR Spectroscopy.","Inorganic chemistry","2016","55","24","12603","12617","10.1021/acs.inorgchem.6b01544","","","0.71073","MoKα","","0.064","0.0563","","","0.1427","0.1438","","","","","","1.088","","","","has coordinates","233297","2020-10-21","18:00:00",""
"4348736","23.327","0.003","11.2821","0.0015","18.512","0.003","90","","107.022","0.002","90","","4658.5","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H40 As2 Co N4 O12 -","- C48 H40 As2 Co N4 O12 -","- C192 H160 As8 Co4 N16 O48 -","4","0.5","","Chen, Lei; Cui, Hui-Hui; Stavretis, Shelby E.; Hunter, Seth C.; Zhang, Yi-Quan; Chen, Xue-Tai; Sun, Yi-Chen; Wang, Zhenxing; Song, You; Podlesnyak, Andrey A.; Ouyang, Zhong-Wen; Xue, Zi-Ling","Slow Magnetic Relaxations in Cobalt(II) Tetranitrate Complexes. Studies of Magnetic Anisotropy by Inelastic Neutron Scattering and High-Frequency and High-Field EPR Spectroscopy.","Inorganic chemistry","2016","55","24","12603","12617","10.1021/acs.inorgchem.6b01544","","","0.71073","MoKα","","0.0448","0.0303","","","0.0716","0.077","","","","","","1.024","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348737","11.315","0.002","11.695","0.002","19.863","0.004","101.464","0.003","92.375","0.003","104.764","0.003","2479.2","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H42 Cl2 Co N4 O12 P2 -","- C49 H42 Cl2 Co N4 O12 P2 -","- C98 H84 Cl4 Co2 N8 O24 P4 -","2","1","","Chen, Lei; Cui, Hui-Hui; Stavretis, Shelby E.; Hunter, Seth C.; Zhang, Yi-Quan; Chen, Xue-Tai; Sun, Yi-Chen; Wang, Zhenxing; Song, You; Podlesnyak, Andrey A.; Ouyang, Zhong-Wen; Xue, Zi-Ling","Slow Magnetic Relaxations in Cobalt(II) Tetranitrate Complexes. Studies of Magnetic Anisotropy by Inelastic Neutron Scattering and High-Frequency and High-Field EPR Spectroscopy.","Inorganic chemistry","2016","55","24","12603","12617","10.1021/acs.inorgchem.6b01544","","","0.71073","MoKα","","0.1002","0.064","","","0.1814","0.2065","","","","","","1.055","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348738","7.7946","0.0016","14.623","0.003","14.101","0.004","90","","118.91","0.02","90","","1406.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H16 Cl5 N2 Sb -","- C5 H16 Cl5 N2 Sb -","- C20 H64 Cl20 N8 Sb4 -","4","1","","Zhao, Wen-Ping; Shi, Chao; Stroppa, Alessandro; Di Sante, Domenico; Cimpoesu, Fanica; Zhang, Wen","Lone-Pair-Electron-Driven Ionic Displacements in a Ferroelectric Metal-Organic Hybrid.","Inorganic chemistry","2016","55","20","10337","10342","10.1021/acs.inorgchem.6b01545","","","0.71073","MoKα","","0.036","0.0298","","","0.0668","0.0694","","","","","","1.043","","","","has coordinates","233301","2020-10-21","18:00:00",""
"4348739","7.6816","0.0007","14.5454","0.0018","13.974","0.002","90","","118.317","0.013","90","","1374.5","0.3","113","2","113","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C5 H16 Cl5 N2 Sb -","- C5 H16 Cl5 N2 Sb -","- C20 H64 Cl20 N8 Sb4 -","4","2","","Zhao, Wen-Ping; Shi, Chao; Stroppa, Alessandro; Di Sante, Domenico; Cimpoesu, Fanica; Zhang, Wen","Lone-Pair-Electron-Driven Ionic Displacements in a Ferroelectric Metal-Organic Hybrid.","Inorganic chemistry","2016","55","20","10337","10342","10.1021/acs.inorgchem.6b01545","","","0.71073","MoKα","","0.0189","0.0177","","","0.0367","0.0371","","","","","","1.038","","","","has coordinates","233301","2020-10-21","18:00:00",""
"4348740","11.4662","0.0007","11.9726","0.0009","12.7065","0.0012","96.465","0.002","94.107","0.002","106.092","0.002","1655.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H31 Cl4 Ir N2 P2 -","- C38 H30 Cl Ir N2 P2 -","- C76 H60 Cl2 Ir2 N4 P4 -","2","1","","Zumeta, Itziar; Mendicute-Fierro, Claudio; Bustos, Itxaso; Huertos, Miguel A.; Rodríguez-Diéguez, Antonio; Seco, José M; San Sebastian, Eider; Garralda, María A","Irida-β-ketoimines Derived from Hydrazines To Afford Metallapyrazoles or N-N Bond Cleavage: A Missing Metallacycle Disclosed by a Theoretical and Experimental Study.","Inorganic chemistry","2016","55","20","10284","10293","10.1021/acs.inorgchem.6b01550","","","0.71069","MoKα","","0.0324","0.0294","","","0.0658","0.0673","","","","","","1.092","","","","has coordinates","233304","2020-10-21","18:00:00",""
"4348741","39.188","0.003","39.188","0.003","12.8242","0.0011","90","","90","","90","","19694","3","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C43 H38 Cl10 Ir N O2 P2 -","- C42 H37 Cl7 Ir N O2 P2 -","- C672 H592 Cl112 Ir16 N16 O32 P32 -","16","1","","Zumeta, Itziar; Mendicute-Fierro, Claudio; Bustos, Itxaso; Huertos, Miguel A.; Rodríguez-Diéguez, Antonio; Seco, José M; San Sebastian, Eider; Garralda, María A","Irida-β-ketoimines Derived from Hydrazines To Afford Metallapyrazoles or N-N Bond Cleavage: A Missing Metallacycle Disclosed by a Theoretical and Experimental Study.","Inorganic chemistry","2016","55","20","10284","10293","10.1021/acs.inorgchem.6b01550","","","0.71073","MoKα","","0.0448","0.0355","","","0.0786","0.082","","","","","","1.054","","","","has coordinates","233304","2020-10-21","18:00:00",""
"4348742","10.8051","0.0011","21.6788","0.0008","15.6334","0.0017","90","","94.811","0.003","90","","3649.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 Cl Ir N2 O3 P2 -","- C40 H38 Cl Ir N2 O3 P2 -","- C160 H152 Cl4 Ir4 N8 O12 P8 -","4","1","","Zumeta, Itziar; Mendicute-Fierro, Claudio; Bustos, Itxaso; Huertos, Miguel A.; Rodríguez-Diéguez, Antonio; Seco, José M; San Sebastian, Eider; Garralda, María A","Irida-β-ketoimines Derived from Hydrazines To Afford Metallapyrazoles or N-N Bond Cleavage: A Missing Metallacycle Disclosed by a Theoretical and Experimental Study.","Inorganic chemistry","2016","55","20","10284","10293","10.1021/acs.inorgchem.6b01550","","","0.71069","MoKα","","0.0363","0.0233","","","0.0394","0.0424","","","","","","1.038","","","","has coordinates","233304","2020-10-21","18:00:00",""
"4348743","21.5351","0.0009","10.0219","0.0014","19.4773","0.0018","90","","116.886","0.005","90","","3749.3","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H35 Cl Ir N3 O P2 -","- C44 H35 Cl Ir N3 O P2 -","- C176 H140 Cl4 Ir4 N12 O4 P8 -","4","1","","Zumeta, Itziar; Mendicute-Fierro, Claudio; Bustos, Itxaso; Huertos, Miguel A.; Rodríguez-Diéguez, Antonio; Seco, José M; San Sebastian, Eider; Garralda, María A","Irida-β-ketoimines Derived from Hydrazines To Afford Metallapyrazoles or N-N Bond Cleavage: A Missing Metallacycle Disclosed by a Theoretical and Experimental Study.","Inorganic chemistry","2016","55","20","10284","10293","10.1021/acs.inorgchem.6b01550","","","0.71069","MoKα","","0.0547","0.0335","","","0.0685","0.0737","","","","","","0.994","","","","has coordinates","233304","2020-10-21","18:00:00",""
"4348744","12.076","0.005","12.451","0.005","14.47","0.006","110.139","0.001","101.778","0.004","108.014","0.003","1821.2","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H88 N6 O22 P2 Ti6 -","- C54 H86 N6 O22 P2 Ti6 -","- C54 H86 N6 O22 P2 Ti6 -","1","0.5","","Narayanam, Nagaraju; Chintakrinda, Kalpana; Fang, Wei-Hui; Kang, Yao; Zhang, Lei; Zhang, Jian","Azole Functionalized Polyoxo-Titanium Clusters with Sunlight-Driven Dye Degradation Applications: Synthesis, Structure, and Photocatalytic Studies.","Inorganic chemistry","2016","55","20","10294","10301","10.1021/acs.inorgchem.6b01551","","","0.71073","MoKα","","0.0463","0.0393","","","0.1189","0.1251","","","","","","0.987","","","","has coordinates","233307","2020-10-21","18:00:00",""
"4348745","12.3628","0.0005","14.8542","0.0007","15.0699","0.0005","75.532","0.003","67.953","0.003","89.308","0.004","2473.41","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H126 N12 O32 P2 Ti8 -","- C70 H126 N12 O32 P2 Ti8 -","- C70 H126 N12 O32 P2 Ti8 -","1","0.5","","Narayanam, Nagaraju; Chintakrinda, Kalpana; Fang, Wei-Hui; Kang, Yao; Zhang, Lei; Zhang, Jian","Azole Functionalized Polyoxo-Titanium Clusters with Sunlight-Driven Dye Degradation Applications: Synthesis, Structure, and Photocatalytic Studies.","Inorganic chemistry","2016","55","20","10294","10301","10.1021/acs.inorgchem.6b01551","","","1.54178","CuKα","","0.0544","0.0429","","","0.1089","0.1157","","","","","","1.042","","","","has coordinates","233307","2020-10-21","18:00:00",""
"4348746","13.586","0.004","17.829","0.005","26.339","0.007","90","","105.938","0.013","90","","6135","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H65 N2 O17 P3 Ti4 -","- C51 H57 N2 O18 P3 Ti4 -","- C204 H228 N8 O72 P12 Ti16 -","4","1","","Narayanam, Nagaraju; Chintakrinda, Kalpana; Fang, Wei-Hui; Kang, Yao; Zhang, Lei; Zhang, Jian","Azole Functionalized Polyoxo-Titanium Clusters with Sunlight-Driven Dye Degradation Applications: Synthesis, Structure, and Photocatalytic Studies.","Inorganic chemistry","2016","55","20","10294","10301","10.1021/acs.inorgchem.6b01551","","","0.71073","MoKα","","0.1005","0.0776","","","0.2064","0.2223","","","","","","1.114","","","","has coordinates","233307","2020-10-21","18:00:00",""
"4348747","11.9192","0.0008","13.4768","0.0009","36.952","0.002","90","","91.671","0.005","90","","5933.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H75 N2 O18 P3 Ti4 -","- C45 H70 N2 O18 P3 Ti4 -","- C180 H280 N8 O72 P12 Ti16 -","4","1","","Narayanam, Nagaraju; Chintakrinda, Kalpana; Fang, Wei-Hui; Kang, Yao; Zhang, Lei; Zhang, Jian","Azole Functionalized Polyoxo-Titanium Clusters with Sunlight-Driven Dye Degradation Applications: Synthesis, Structure, and Photocatalytic Studies.","Inorganic chemistry","2016","55","20","10294","10301","10.1021/acs.inorgchem.6b01551","","","0.71073","MoKα","","0.0812","0.0609","","","0.16","0.1747","","","","","","1.093","","","","has coordinates,has disorder","233307","2020-10-21","18:00:00",""
"4348748","13.062","0.002","20.295","0.003","21.355","0.004","87.302","0.003","87.634","0.003","87.256","0.004","5644","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H136 Co N4 O34 P6 Ti7 -","- C84 H126 Co N4 O34 P6 Ti7 -","- C168 H252 Co2 N8 O68 P12 Ti14 -","2","1","","Narayanam, Nagaraju; Chintakrinda, Kalpana; Fang, Wei-Hui; Kang, Yao; Zhang, Lei; Zhang, Jian","Azole Functionalized Polyoxo-Titanium Clusters with Sunlight-Driven Dye Degradation Applications: Synthesis, Structure, and Photocatalytic Studies.","Inorganic chemistry","2016","55","20","10294","10301","10.1021/acs.inorgchem.6b01551","","","0.71073","MoKα","","0.0982","0.0752","","","0.2075","0.2287","","","","","","1.043","","","","has coordinates","233307","2020-10-21","18:00:00",""
"4348749","13.066","0.003","20.303","0.004","21.364","0.004","87.341","0.005","87.518","0.004","87.198","0.004","5650","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H136 I0 N4 O34 P6 Ti7 Zn -","- C84 H113 N4 O34 P6 Ti7 Zn -","- C168 H226 N8 O68 P12 Ti14 Zn2 -","2","1","","Narayanam, Nagaraju; Chintakrinda, Kalpana; Fang, Wei-Hui; Kang, Yao; Zhang, Lei; Zhang, Jian","Azole Functionalized Polyoxo-Titanium Clusters with Sunlight-Driven Dye Degradation Applications: Synthesis, Structure, and Photocatalytic Studies.","Inorganic chemistry","2016","55","20","10294","10301","10.1021/acs.inorgchem.6b01551","","","0.71073","MoKα","","0.1777","0.1359","","","0.3385","0.3651","","","","","","0.97","","","","has coordinates","233307","2020-10-21","18:00:00",""
"4348750","4.8597","0.0009","5.7697","0.0011","27.733","0.005","89.033","0.006","87.007","0.006","84.443","0.007","772.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H14 I1.5 N2 S12 -","- C26 H14 I1.525 N2 S12 -","- C26 H14 I1.525 N2 S12 -","1","0.5","","Rabaça, Sandra; Oliveira, Sandrina; Santos, Isabel C.; Gama, Vasco; Belo, Dulce; Lopes, Elsa B.; Canadell, Enric; Almeida, Manuel","Polymorphism and Superconductivity in Bilayer Molecular Metals (CNB-EDT-TTF)<sub>4</sub>I<sub>3</sub>.","Inorganic chemistry","2016","55","20","10343","10350","10.1021/acs.inorgchem.6b01555","","","0.71073","MoKα","","0.1075","0.064","","","0.1303","0.1435","","","","","","1.054","","","","has coordinates","233309","2020-10-21","18:00:00",""
"4348751","5.7669","0.0002","9.7113","0.0003","27.7724","0.0007","86.793","0.002","89.079","0.001","84.558","0.002","1545.84","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H14 I1.5 N2 S12 -","- C26 H14 I1.5 N2 S12 -","- C52 H28 I3 N4 S24 -","2","1","","Rabaça, Sandra; Oliveira, Sandrina; Santos, Isabel C.; Gama, Vasco; Belo, Dulce; Lopes, Elsa B.; Canadell, Enric; Almeida, Manuel","Polymorphism and Superconductivity in Bilayer Molecular Metals (CNB-EDT-TTF)<sub>4</sub>I<sub>3</sub>.","Inorganic chemistry","2016","55","20","10343","10350","10.1021/acs.inorgchem.6b01555","","","0.71073","MoKα","","0.1265","0.0919","","","0.2293","0.2457","","","","","","1.076","","","","has coordinates","233311","2020-10-21","18:00:00",""
"4348752","13.9682","0.0003","17.3921","0.0003","18.5886","0.0004","90","","90.5139","0.0018","90","","4515.66","0.16","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 P2 Sn -","- C48 H68 P2 Sn -","- C192 H272 P8 Sn4 -","4","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.; Probert, Michael R.","Remote Substituent Effects on the Structures and Stabilities of P═E π-Stabilized Diphosphatetrylenes (R<sub>2</sub>P)<sub>2</sub>E (E = Ge, Sn).","Inorganic chemistry","2016","55","20","10510","10522","10.1021/acs.inorgchem.6b01566","","","0.71073","MoKα","","0.0707","0.0404","","","0.0625","0.069","","","","","","0.989","","","","has coordinates","233313","2020-10-21","18:00:00",""
"4348753","27.3723","0.0006","19.1347","0.0003","12.3204","0.0003","90","","90","","90","","6452.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","4","P n c 2","P 2 -2bc","30","","","","- C67 H106 Ge P2 -","- C67 H106 Ge P2 -","- C268 H424 Ge4 P8 -","4","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.; Probert, Michael R.","Remote Substituent Effects on the Structures and Stabilities of P═E π-Stabilized Diphosphatetrylenes (R<sub>2</sub>P)<sub>2</sub>E (E = Ge, Sn).","Inorganic chemistry","2016","55","20","10510","10522","10.1021/acs.inorgchem.6b01566","","","1.54184","CuKα","","0.0851","0.0697","","","0.1835","0.194","","","","","","1.1","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348754","10.2388","0.0003","13.9719","0.0005","21.021","0.0005","94.468","0.002","91.085","0.002","104.252","0.003","2903.5","0.16","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C60 H92 P2 Sn -","- C60 H92 P2 Sn -","- C120 H184 P4 Sn2 -","2","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.; Probert, Michael R.","Remote Substituent Effects on the Structures and Stabilities of P═E π-Stabilized Diphosphatetrylenes (R<sub>2</sub>P)<sub>2</sub>E (E = Ge, Sn).","Inorganic chemistry","2016","55","20","10510","10522","10.1021/acs.inorgchem.6b01566","","","0.71073","MoKα","","0.0649","0.0428","","","0.0891","0.1007","","","","","","1.041","","","","has coordinates","233313","2020-10-21","18:00:00",""
"4348755","10.3169","0.0003","14.1318","0.0004","21.3908","0.0006","94.717","0.002","90.895","0.002","104.361","0.002","3008.92","0.15","290","0.1","290","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C60 H92 P2 Sn -","- C60 H92 P2 Sn -","- C120 H184 P4 Sn2 -","2","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.; Probert, Michael R.","Remote Substituent Effects on the Structures and Stabilities of P═E π-Stabilized Diphosphatetrylenes (R<sub>2</sub>P)<sub>2</sub>E (E = Ge, Sn).","Inorganic chemistry","2016","55","20","10510","10522","10.1021/acs.inorgchem.6b01566","","","0.71073","MoKα","","0.1023","0.0534","","","0.1162","0.1359","","","","","","1.015","","","","has coordinates","233313","2020-10-21","18:00:00",""
"4348756","13.33377","0.0001","18.41362","0.00015","17.51452","0.00014","90","","99.2959","0.0008","90","","4243.74","0.06","150","0.2","150","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 P2 -","- C48 H68 P2 -","- C192 H272 P8 -","4","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.; Probert, Michael R.","Remote Substituent Effects on the Structures and Stabilities of P═E π-Stabilized Diphosphatetrylenes (R<sub>2</sub>P)<sub>2</sub>E (E = Ge, Sn).","Inorganic chemistry","2016","55","20","10510","10522","10.1021/acs.inorgchem.6b01566","","x-ray","1.54184","CuKα","","0.0471","0.0378","","","0.0859","0.0909","","","","","","1.031","","","","has coordinates,has disorder","233313","2020-10-21","18:00:00",""
"4348757","35.4247","0.0012","13.9402","0.0004","9.4516","0.0003","90","","101.693","0.001","90","","4570.6","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ni-muc-bpaa","","","- C18 H20 N2 Ni O8 -","- C18 H20 N2 Ni O8 -","- C144 H160 N16 Ni8 O64 -","8","1","","Ugale, Bharat; Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3-Fold-Interpenetrated Three-Dimensional Metal-Organic Frameworks of Nickel(II) for Highly Efficient Capture and Conversion of Carbon Dioxide.","Inorganic chemistry","2016","55","19","9757","9766","10.1021/acs.inorgchem.6b01569","","","0.71073","MoKα","","0.0783","0.0643","","","0.2209","0.2346","","","","","","1.069","","","","has coordinates","233316","2020-10-21","18:00:00",""
"4348758","37.06","0.005","13.328","0.005","9.373","0.005","90","0.005","102.153","0.005","90","0.005","4526","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ni-muc-bpee","","","- C18 H18 N2 Ni O8.5 -","- C18 H18 N2 Ni O8.5 -","- C144 H144 N16 Ni8 O68 -","8","1","","Ugale, Bharat; Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3-Fold-Interpenetrated Three-Dimensional Metal-Organic Frameworks of Nickel(II) for Highly Efficient Capture and Conversion of Carbon Dioxide.","Inorganic chemistry","2016","55","19","9757","9766","10.1021/acs.inorgchem.6b01569","","","0.71073","MoKα","","0.172","0.0757","","","0.1939","0.2349","","","","","","1.052","","","","has coordinates","233316","2020-10-21","18:00:00",""
"4348759","35.0241","0.0016","13.3396","0.0006","9.1834","0.0004","90","","104.116","0.002","90","","4161","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ni-muc-Azopy","","","- C16 H16 N4 Ni O8 -","- C16 H16 N4 Ni O8 -","- C128 H128 N32 Ni8 O64 -","8","1","","Ugale, Bharat; Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3-Fold-Interpenetrated Three-Dimensional Metal-Organic Frameworks of Nickel(II) for Highly Efficient Capture and Conversion of Carbon Dioxide.","Inorganic chemistry","2016","55","19","9757","9766","10.1021/acs.inorgchem.6b01569","","","0.71073","MoKα","","0.1027","0.0737","","","0.1882","0.2098","","","","","","1.072","","","","has coordinates","233316","2020-10-21","18:00:00",""
"4348760","15.3874","0.0003","13.2879","0.0002","22.5848","0.0004","90","","99.281","0.002","90","","4557.38","0.14","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 F12 N13 P2 Ru -","- C44 H39 F12 N13 P2 Ru -","- C176 H156 F48 N52 P8 Ru4 -","4","1","","Kumar, Sreedhar V.; Scottwell, Synøve Ø; Waugh, Emily; McAdam, C. John; Hanton, Lyall R.; Brooks, Heather J. L.; Crowley, James D.","Antimicrobial Properties of Tris(homoleptic) Ruthenium(II) 2-Pyridyl-1,2,3-triazole ""Click"" Complexes against Pathogenic Bacteria, Including Methicillin-Resistant Staphylococcus aureus (MRSA).","Inorganic chemistry","2016","55","19","9767","9777","10.1021/acs.inorgchem.6b01574","","","1.54184","CuKα","","0.0872","0.0758","","","0.2061","0.22","","","","","","1.039","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348761","12.0954","0.0004","14.0009","0.0005","15.6536","0.0005","91.733","0.002","108.905","0.001","100.943","0.001","2450.24","0.14","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H42 F12 N14 P2 Ru -","- C46 H42 F12 N14 P2 Ru -","- C92 H84 F24 N28 P4 Ru2 -","2","1","","Kumar, Sreedhar V.; Scottwell, Synøve Ø; Waugh, Emily; McAdam, C. John; Hanton, Lyall R.; Brooks, Heather J. L.; Crowley, James D.","Antimicrobial Properties of Tris(homoleptic) Ruthenium(II) 2-Pyridyl-1,2,3-triazole ""Click"" Complexes against Pathogenic Bacteria, Including Methicillin-Resistant Staphylococcus aureus (MRSA).","Inorganic chemistry","2016","55","19","9767","9777","10.1021/acs.inorgchem.6b01574","","","0.71073","MoKα","","0.0332","0.0278","","","0.0589","0.0636","","","","","","1.06","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348762","8.7481","0.0007","13.7918","0.0013","23.603","0.002","99.326","0.004","99.588","0.004","100.262","0.003","2708.6","0.4","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H50 F12 N14 O P2 Ru -","- C49 H50 F12 N14 O P2 Ru -","- C98 H100 F24 N28 O2 P4 Ru2 -","2","1","","Kumar, Sreedhar V.; Scottwell, Synøve Ø; Waugh, Emily; McAdam, C. John; Hanton, Lyall R.; Brooks, Heather J. L.; Crowley, James D.","Antimicrobial Properties of Tris(homoleptic) Ruthenium(II) 2-Pyridyl-1,2,3-triazole ""Click"" Complexes against Pathogenic Bacteria, Including Methicillin-Resistant Staphylococcus aureus (MRSA).","Inorganic chemistry","2016","55","19","9767","9777","10.1021/acs.inorgchem.6b01574","","","0.71069","MoKα","","0.0609","0.0537","","","0.1389","0.1541","","","","","","1.197","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348763","13.49919","0.00012","23.01855","0.00018","14.58644","0.00011","90","","97.098","0.0008","90","","4497.73","0.06","100","10","100","10","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 F12 N12 O P2 Ru -","- C42 H36 F12 N12 O P2 Ru -","- C168 H144 F48 N48 O4 P8 Ru4 -","4","1","","Kumar, Sreedhar V.; Scottwell, Synøve Ø; Waugh, Emily; McAdam, C. John; Hanton, Lyall R.; Brooks, Heather J. L.; Crowley, James D.","Antimicrobial Properties of Tris(homoleptic) Ruthenium(II) 2-Pyridyl-1,2,3-triazole ""Click"" Complexes against Pathogenic Bacteria, Including Methicillin-Resistant Staphylococcus aureus (MRSA).","Inorganic chemistry","2016","55","19","9767","9777","10.1021/acs.inorgchem.6b01574","","","1.54184","CuKα","","0.0429","0.0357","","","0.0915","0.0946","","","","","","1.043","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348764","11.256","0.005","24.61","0.003","17.351","0.002","90","","99.997","0.005","90","","4733","2","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H54 F12 N12 P2 Ru -","- C39 H54 F12 N12 P2 Ru -","- C156 H216 F48 N48 P8 Ru4 -","4","1","","Kumar, Sreedhar V.; Scottwell, Synøve Ø; Waugh, Emily; McAdam, C. John; Hanton, Lyall R.; Brooks, Heather J. L.; Crowley, James D.","Antimicrobial Properties of Tris(homoleptic) Ruthenium(II) 2-Pyridyl-1,2,3-triazole ""Click"" Complexes against Pathogenic Bacteria, Including Methicillin-Resistant Staphylococcus aureus (MRSA).","Inorganic chemistry","2016","55","19","9767","9777","10.1021/acs.inorgchem.6b01574","","","1.54184","CuKα","","0.0416","0.039","","","0.1002","0.1031","","","","","","1.031","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348765","12.8045","0.0002","15.4222","0.0003","15.5885","0.0003","118","0.002","91.2428","0.0015","100.009","0.0014","2657.67","0.1","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H54 F18 N13 O1.5 P3 Ru -","- C40 H54 F18 N13 O1.5 P3 Ru -","- C80 H108 F36 N26 O3 P6 Ru2 -","2","1","","Kumar, Sreedhar V.; Scottwell, Synøve Ø; Waugh, Emily; McAdam, C. John; Hanton, Lyall R.; Brooks, Heather J. L.; Crowley, James D.","Antimicrobial Properties of Tris(homoleptic) Ruthenium(II) 2-Pyridyl-1,2,3-triazole ""Click"" Complexes against Pathogenic Bacteria, Including Methicillin-Resistant Staphylococcus aureus (MRSA).","Inorganic chemistry","2016","55","19","9767","9777","10.1021/acs.inorgchem.6b01574","","","0.71069","MoKα","","0.0665","0.0624","","","0.1406","0.1431","","","","","","1.068","","","","has coordinates,has disorder","233319","2020-10-21","18:00:00",""
"4348766","11.7859","0.0005","17.5279","0.0008","20.5802","0.0009","103.31","0.0006","95.3031","0.0006","105.31","0.0006","3936.9","0.3","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C144 H300 Pt6 S12 -","- C144 H300 Pt6 S12 -","- C144 H300 Pt6 S12 -","1","0.5","","Shichibu, Yukatsu; Yoshida, Keisuke; Konishi, Katsuaki","Hexanuclear Platinum(II) Thiolate Macrocyclic Host: Charge-Transfer-Driven Inclusion of a Ag(I) Ion Guest.","Inorganic chemistry","2016","55","18","9147","9149","10.1021/acs.inorgchem.6b01579","","","0.71073","MoKα","","0.0421","0.0298","","","0.0731","0.0936","","","","","","1.089","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348767","15.6003","0.0012","16.6218","0.0013","31.954","0.003","92.6717","0.0011","93.2134","0.0011","95.2529","0.001","8226.9","1.2","90","0.2","90","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C144 H300 Ag F6 Pt6 S12 Sb -","- C144 H300 Ag F6 Pt6 S12 Sb -","- C288 H600 Ag2 F12 Pt12 S24 Sb2 -","2","1","","Shichibu, Yukatsu; Yoshida, Keisuke; Konishi, Katsuaki","Hexanuclear Platinum(II) Thiolate Macrocyclic Host: Charge-Transfer-Driven Inclusion of a Ag(I) Ion Guest.","Inorganic chemistry","2016","55","18","9147","9149","10.1021/acs.inorgchem.6b01579","","","0.71073","MoKα","","0.1504","0.0638","","","0.1523","0.2109","","","","","","0.988","","","","has coordinates,has disorder","233321","2020-10-21","18:00:00",""
"4348768","16.0795","0.0003","9.1643","0.0002","18.0702","0.0004","90","","110.572","0.001","90","","2492.98","0.09","172","2","172","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Br4 N2 O2 S2 Zn2 -","- C18 H22 Br4 N2 O2 S2 Zn2 -","- C72 H88 Br16 N8 O8 S8 Zn8 -","4","1","","Seo, Sujin; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Lee, Eunji; Lee, Shim Sung","Group 12 Metal Complexes of an 18-Membered N<sub>2</sub>O<sub>2</sub>S<sub>2</sub> Macrocycle Incorporating Two Pyridines: First Examples of an Infinite Mercury(I) Complex and a Dumbbell-Shaped Heteronuclear Complex with a Macrocyclic Ligand.","Inorganic chemistry","2016","55","21","11028","11039","10.1021/acs.inorgchem.6b01583","","","0.71073","MoKα","","0.0828","0.0411","","","0.0814","0.0981","","","","","","1.001","","","","has coordinates,has disorder","233323","2020-10-21","18:00:00",""
"4348769","13.5381","0.0002","11.2786","0.0001","14.3054","0.0002","90","","104.095","0.001","90","","2118.54","0.05","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Br2 Cd N2 O2 S2 -","- C18 H22 Br2 Cd N2 O2 S2 -","- C72 H88 Br8 Cd4 N8 O8 S8 -","4","1","","Seo, Sujin; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Lee, Eunji; Lee, Shim Sung","Group 12 Metal Complexes of an 18-Membered N<sub>2</sub>O<sub>2</sub>S<sub>2</sub> Macrocycle Incorporating Two Pyridines: First Examples of an Infinite Mercury(I) Complex and a Dumbbell-Shaped Heteronuclear Complex with a Macrocyclic Ligand.","Inorganic chemistry","2016","55","21","11028","11039","10.1021/acs.inorgchem.6b01583","","","0.71073","MoKα","","0.0366","0.0266","","","0.0617","0.0657","","","","","","1.033","","","","has coordinates","233323","2020-10-21","18:00:00",""
"4348770","7.8355","0.0001","8.2825","0.0001","11.0954","0.0002","73.249","0.001","74.239","0.001","70.168","0.001","636.421","0.017","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H22 Br4 Hg2 N2 O2 S2 -","- C18 H22 Br4 Hg2 N2 O2 S2 -","- C18 H22 Br4 Hg2 N2 O2 S2 -","1","0.5","","Seo, Sujin; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Lee, Eunji; Lee, Shim Sung","Group 12 Metal Complexes of an 18-Membered N<sub>2</sub>O<sub>2</sub>S<sub>2</sub> Macrocycle Incorporating Two Pyridines: First Examples of an Infinite Mercury(I) Complex and a Dumbbell-Shaped Heteronuclear Complex with a Macrocyclic Ligand.","Inorganic chemistry","2016","55","21","11028","11039","10.1021/acs.inorgchem.6b01583","","","0.71073","MoKα","","0.0316","0.0285","","","0.0602","0.0612","","","","","","1.098","","","","has coordinates,has disorder","233323","2020-10-21","18:00:00",""
"4348771","21.884","0.0015","9.6475","0.0007","11.3145","0.0009","90","","90","","90","","2388.8","0.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H22 Hg2 N4 O8 S2 -","- C18 H22 Hg2 N4 O8 S2 -","- C72 H88 Hg8 N16 O32 S8 -","4","0.5","","Seo, Sujin; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Lee, Eunji; Lee, Shim Sung","Group 12 Metal Complexes of an 18-Membered N<sub>2</sub>O<sub>2</sub>S<sub>2</sub> Macrocycle Incorporating Two Pyridines: First Examples of an Infinite Mercury(I) Complex and a Dumbbell-Shaped Heteronuclear Complex with a Macrocyclic Ligand.","Inorganic chemistry","2016","55","21","11028","11039","10.1021/acs.inorgchem.6b01583","","","0.71073","MoKα","","0.098","0.0915","","","0.2634","0.27","","","","","","1.158","","","","has coordinates,has disorder","233323","2020-10-21","18:00:00",""
"4348772","8.5122","0.0005","15.0729","0.001","22.8902","0.0014","90","","100.588","0.004","90","","2886.9","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Br4 Cd2 Cl2 N2 O2 S2 -","- C19 H24 Br4 Cd2 Cl2 N2 O2 S2 -","- C76 H96 Br16 Cd8 Cl8 N8 O8 S8 -","4","1","","Seo, Sujin; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Lee, Eunji; Lee, Shim Sung","Group 12 Metal Complexes of an 18-Membered N<sub>2</sub>O<sub>2</sub>S<sub>2</sub> Macrocycle Incorporating Two Pyridines: First Examples of an Infinite Mercury(I) Complex and a Dumbbell-Shaped Heteronuclear Complex with a Macrocyclic Ligand.","Inorganic chemistry","2016","55","21","11028","11039","10.1021/acs.inorgchem.6b01583","","","0.71073","MoKα","","0.1282","0.0828","","","0.2067","0.2409","","","","","","1.054","","","","has coordinates","233323","2020-10-21","18:00:00",""
"4348773","18.1345","0.0008","15.4618","0.0007","22.5463","0.0013","90","","112.757","0.002","90","","5829.7","0.5","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Br12 Cd2 Hg4 N4 O4 S4 -","- C36 H44 Br12 Cd2 Hg4 N4 O4 S4 -","- C144 H176 Br48 Cd8 Hg16 N16 O16 S16 -","4","0.5","","Seo, Sujin; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Lee, Eunji; Lee, Shim Sung","Group 12 Metal Complexes of an 18-Membered N<sub>2</sub>O<sub>2</sub>S<sub>2</sub> Macrocycle Incorporating Two Pyridines: First Examples of an Infinite Mercury(I) Complex and a Dumbbell-Shaped Heteronuclear Complex with a Macrocyclic Ligand.","Inorganic chemistry","2016","55","21","11028","11039","10.1021/acs.inorgchem.6b01583","","","0.71073","MoKα","","0.0431","0.03","","","0.0666","0.0707","","","","","","1.023","","","","has coordinates","233323","2020-10-21","18:00:00",""
"4348774","8.3751","0.0005","18.7073","0.0009","32.532","0.0017","90","","90","","90","","5097","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Cu4 I6 N3 O -","- C10 H17 Cu4 I6 N3 O -","- C80 H136 Cu32 I48 N24 O8 -","8","1","","Shen, Jun-Ju; Li, Xiang-Xia; Yu, Tan-Lai; Wang, Feng; Hao, Peng-Fei; Fu, Yun-Long","Ultrasensitive Photochromic Iodocuprate(I) Hybrid.","Inorganic chemistry","2016","55","17","8271","8273","10.1021/acs.inorgchem.6b01599","","","0.71073","MoKα","","0.0972","0.0716","","","0.1736","0.1893","","","","","","1.028","","","","has coordinates","233325","2020-10-21","18:00:00",""
"4348775","8.3567","0.0003","18.6751","0.0008","32.4747","0.0014","90","","90","","90","","5068.1","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Cu4 I6 N3 O -","- C10 H17 Cu4 I6 N3 O -","- C80 H136 Cu32 I48 N24 O8 -","8","1","","Shen, Jun-Ju; Li, Xiang-Xia; Yu, Tan-Lai; Wang, Feng; Hao, Peng-Fei; Fu, Yun-Long","Ultrasensitive Photochromic Iodocuprate(I) Hybrid.","Inorganic chemistry","2016","55","17","8271","8273","10.1021/acs.inorgchem.6b01599","","","0.71073","MoKα","","0.0563","0.0493","","","0.1207","0.1246","","","","","","1.071","","","","has coordinates","233325","2020-10-21","18:00:00",""
"4348776","12.0119","0.0017","13.0891","0.0017","14.124","0.002","87.159","0.006","87.303","0.007","75.886","0.006","2149.6","0.5","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H38 F12 Ir N4 P -","- C42 H38 F12 Ir N4 P -","- C84 H76 F24 Ir2 N8 P2 -","2","1","","Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Momblona, Cristina; Ortı, Enrique; Samuel, Ifor D. W.; Bolink, Henk J.; Zysman-Colman, Eli","Synthesis, Properties, and Light-Emitting Electrochemical Cell (LEEC) Device Fabrication of Cationic Ir(III) Complexes Bearing Electron-Withdrawing Groups on the Cyclometallating Ligands.","Inorganic chemistry","2016","55","20","10361","10376","10.1021/acs.inorgchem.6b01602","","","0.71075","MoKα","","0.0865","0.0775","","","0.2172","0.2334","","","","","","1.137","","","","has coordinates","233327","2020-10-21","18:00:00",""
"4348777","16.835","0.002","11.8886","0.0013","23.435","0.003","90","","92.968","0.003","90","","4684.1","1","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H43 F12 Ir N4 O2.5 P -","- C44 H43 F12 Ir N4 O2.5 P -","- C176 H172 F48 Ir4 N16 O10 P4 -","4","1","","Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Momblona, Cristina; Ortı, Enrique; Samuel, Ifor D. W.; Bolink, Henk J.; Zysman-Colman, Eli","Synthesis, Properties, and Light-Emitting Electrochemical Cell (LEEC) Device Fabrication of Cationic Ir(III) Complexes Bearing Electron-Withdrawing Groups on the Cyclometallating Ligands.","Inorganic chemistry","2016","55","20","10361","10376","10.1021/acs.inorgchem.6b01602","","","0.71075","MoKα","","0.0589","0.0404","","","0.0922","0.101","","","","","","1.051","","","","has coordinates,has disorder","233327","2020-10-21","18:00:00",""
"4348778","17.447","0.006","11.664","0.003","23.186","0.007","90","","90.383","0.007","90","","4718","2","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 F12 Ir N4 P S2 -","- C42 H38 F12 Ir N4 P S2 -","- C168 H152 F48 Ir4 N16 P4 S8 -","4","1","","Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Momblona, Cristina; Ortı, Enrique; Samuel, Ifor D. W.; Bolink, Henk J.; Zysman-Colman, Eli","Synthesis, Properties, and Light-Emitting Electrochemical Cell (LEEC) Device Fabrication of Cationic Ir(III) Complexes Bearing Electron-Withdrawing Groups on the Cyclometallating Ligands.","Inorganic chemistry","2016","55","20","10361","10376","10.1021/acs.inorgchem.6b01602","","","0.71075","MoKα","","0.1268","0.0636","","","0.1266","0.1485","","","","","","1.034","","","","has coordinates","233327","2020-10-21","18:00:00",""
"4348779","13.0691","0.0017","17.027","0.002","27.714","0.004","98.3918","0.0018","97.913","0.003","105.002","0.002","5793","1.3","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C42 H38 F12 Ir N4 O4 P S2 -","- C42 H38 F12 Ir N4 O4 P S2 -","- C168 H152 F48 Ir4 N16 O16 P4 S8 -","4","2","","Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Momblona, Cristina; Ortı, Enrique; Samuel, Ifor D. W.; Bolink, Henk J.; Zysman-Colman, Eli","Synthesis, Properties, and Light-Emitting Electrochemical Cell (LEEC) Device Fabrication of Cationic Ir(III) Complexes Bearing Electron-Withdrawing Groups on the Cyclometallating Ligands.","Inorganic chemistry","2016","55","20","10361","10376","10.1021/acs.inorgchem.6b01602","","","0.71075","MoKα","","0.1874","0.0793","","","0.1882","0.2408","","","","","","1.023","","","","has coordinates,has disorder","233327","2020-10-21","18:00:00",""
"4348780","20.4967","0.0003","16.9495","0.0003","20.1647","0.0003","90","","93.318","0.002","90","","6993.65","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H38 Dy2 F36 N2 O16 P -","- C51 H38 Dy2 F36 N2 O16 P -","- C204 H152 Dy8 F144 N8 O64 P4 -","4","1","","Reis, Samira G.; Briganti, Matteo; Soriano, Stéphane; Guedes, Guilherme P.; Calancea, Sergiu; Tiseanu, Carmen; Novak, Miguel A.; Del Águila-Sánchez, Miguel A; Totti, Federico; Lopez-Ortiz, Fernando; Andruh, Marius; Vaz, Maria G. F.","Binuclear Lanthanide-Radical Complexes Featuring Two Centers with Different Magnetic and Luminescence Properties.","Inorganic chemistry","2016","55","22","11676","11684","10.1021/acs.inorgchem.6b01616","","","0.71073","MoKα","","0.0904","0.0539","","","0.1245","0.152","","","","","","1.049","","","","has coordinates,has disorder","233329","2020-10-21","18:00:00",""
"4348781","32.8296","0.0015","12.4888","0.0005","37.9053","0.0017","90","","109.696","0.001","90","","14632","1.1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H38 F36 Gd2 N2 O16 P -","- C51 H38 F36 Gd2 N2 O16 P -","- C408 H304 F288 Gd16 N16 O128 P8 -","8","1","","Reis, Samira G.; Briganti, Matteo; Soriano, Stéphane; Guedes, Guilherme P.; Calancea, Sergiu; Tiseanu, Carmen; Novak, Miguel A.; Del Águila-Sánchez, Miguel A; Totti, Federico; Lopez-Ortiz, Fernando; Andruh, Marius; Vaz, Maria G. F.","Binuclear Lanthanide-Radical Complexes Featuring Two Centers with Different Magnetic and Luminescence Properties.","Inorganic chemistry","2016","55","22","11676","11684","10.1021/acs.inorgchem.6b01616","","","0.71073","MoKα","","0.0566","0.0355","","","0.0711","0.0788","","","","","","1.026","","","","has coordinates,has disorder","233331","2020-10-21","18:00:00",""
"4348782","33.039","0.0016","12.7209","0.0005","38.326","0.002","90","","109.627","0.006","90","","15172","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H38 F36 N2 O16 P Tb2 -","- C51 H38 F36 N2 O16 P Tb2 -","- C408 H304 F288 N16 O128 P8 Tb16 -","8","1","","Reis, Samira G.; Briganti, Matteo; Soriano, Stéphane; Guedes, Guilherme P.; Calancea, Sergiu; Tiseanu, Carmen; Novak, Miguel A.; Del Águila-Sánchez, Miguel A; Totti, Federico; Lopez-Ortiz, Fernando; Andruh, Marius; Vaz, Maria G. F.","Binuclear Lanthanide-Radical Complexes Featuring Two Centers with Different Magnetic and Luminescence Properties.","Inorganic chemistry","2016","55","22","11676","11684","10.1021/acs.inorgchem.6b01616","","","0.71073","MoKα","","0.0677","0.0455","","","0.0998","0.1118","","","","","","1.055","","","","has coordinates","233333","2020-10-21","18:00:00",""
"4348783","11.2987","0.0015","12.9526","0.0018","20.985","0.003","98.696","0.002","97.064","0.002","109.856","0.002","2804.7","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H88 K N3 O7 S3 Si6 Th -","- C34 H88 K N3 O7 S3 Si6 Th -","- C68 H176 K2 N6 O14 S6 Si12 Th2 -","2","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis, Electrochemistry, and Reactivity of the Actinide Trisulfides [K(18-crown-6)][An(η(3)-S3)(NR2)3] (An = U, Th; R = SiMe3).","Inorganic chemistry","2016","55","18","9150","9153","10.1021/acs.inorgchem.6b01618","","","0.71073","MoKα","","0.0399","0.0338","","","0.0763","0.0787","","","","","","1.048","","","","has coordinates","233336","2020-10-21","18:00:00",""
"4348784","14.095","0.003","23.499","0.004","19.344","0.004","90","","105.37","0.004","90","","6178","2","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H88 F6 K N3 O13 S2 Si6 U -","- C36 H88 F6 K N3 O13 S2 Si6 U -","- C144 H352 F24 K4 N12 O52 S8 Si24 U4 -","4","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis, Electrochemistry, and Reactivity of the Actinide Trisulfides [K(18-crown-6)][An(η(3)-S3)(NR2)3] (An = U, Th; R = SiMe3).","Inorganic chemistry","2016","55","18","9150","9153","10.1021/acs.inorgchem.6b01618","","","0.71073","MoKα","","0.1221","0.092","","","0.1846","0.195","","","","","","1.198","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348785","13.365","0.005","14.225","0.005","18.947","0.006","102.032","0.005","109.232","0.005","96.868","0.005","3257","2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C36 H88 F6 K N3 O13 S2 Si6 Th -","- C36 H78 F6 K N3 O13 S2 Si6 Th -","- C72 H156 F12 K2 N6 O26 S4 Si12 Th2 -","2","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis, Electrochemistry, and Reactivity of the Actinide Trisulfides [K(18-crown-6)][An(η(3)-S3)(NR2)3] (An = U, Th; R = SiMe3).","Inorganic chemistry","2016","55","18","9150","9153","10.1021/acs.inorgchem.6b01618","","","0.71073","MoKα","","0.1559","0.1166","","","0.2749","0.3035","","","","","","1.086","","","","has coordinates","233336","2020-10-21","18:00:00",""
"4348786","10.4683","0.0007","10.9046","0.0005","17.1266","0.0015","86.154","0.011","86.291","0.011","78.645","0.009","1909.8","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H29 F12 N7 O2 P2 Ru -","- C38 H29 F12 N7 O2 P2 Ru -","- C76 H58 F24 N14 O4 P4 Ru2 -","2","1","","Fukushima, Takashi; Ghosh, Debashis; Kobayashi, Katsuaki; Ohtsu, Hideki; Kitagawa, Susumu; Tanaka, Koji","Four-Electron Reduction of a New Ruthenium Dicarbonyl Complex Having Two NAD Model Ligands through Decarboxylation in Water.","Inorganic chemistry","2016","55","22","11613","11616","10.1021/acs.inorgchem.6b01619","","","0.7107","MoKα","","0.0606","0.0455","","","0.0793","0.0836","","","","","","1.096","","","","has coordinates,has disorder","233338","2020-10-21","18:00:00",""
"4348787","18.036","0.004","13.849","0.003","16.632","0.004","90","","115.263","0.003","90","","3757","1.5","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H25 F12 N7 O2 P2 Ru -","- C38 H25 F12 N7 O2 P2 Ru -","- C152 H100 F48 N28 O8 P8 Ru4 -","4","0.5","","Fukushima, Takashi; Ghosh, Debashis; Kobayashi, Katsuaki; Ohtsu, Hideki; Kitagawa, Susumu; Tanaka, Koji","Four-Electron Reduction of a New Ruthenium Dicarbonyl Complex Having Two NAD Model Ligands through Decarboxylation in Water.","Inorganic chemistry","2016","55","22","11613","11616","10.1021/acs.inorgchem.6b01619","","","0.71075","MoKα","","0.0531","0.0441","","","0.104","0.1092","","","","","","1.074","","","","has coordinates","233340","2020-10-21","18:00:00",""
"4348788","6.74","0.003","13.805","0.006","9.742","0.004","90","","104.937","0.006","90","","875.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 N8 O3 Pb -","- C2 H6 N8 O3 Pb -","- C8 H24 N32 O12 Pb4 -","4","1","","Guo, Zhaoqi; Wu, Yunlong; Deng, Chongqing; Yang, Guoping; Zhang, Jiangong; Sun, Zhihua; Ma, Haixia; Gao, Chao; An, Zhongwei","Structural Modulation from 1D Chain to 3D Framework: Improved Thermostability, Insensitivity, and Energies of Two Nitrogen-Rich Energetic Coordination Polymers.","Inorganic chemistry","2016","55","21","11064","11071","10.1021/acs.inorgchem.6b01630","","","0.71073","MoKα","","0.0411","0.0347","","","0.1125","0.1553","","","","","","1.257","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348789","13.8912","0.0018","24.074","0.003","8.5487","0.0011","90","","96.655","0.002","90","","2839.6","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 N24 O8 Pb3 -","- C6 H4 N24 O8 Pb3 -","- C24 H16 N96 O32 Pb12 -","4","0.5","","Guo, Zhaoqi; Wu, Yunlong; Deng, Chongqing; Yang, Guoping; Zhang, Jiangong; Sun, Zhihua; Ma, Haixia; Gao, Chao; An, Zhongwei","Structural Modulation from 1D Chain to 3D Framework: Improved Thermostability, Insensitivity, and Energies of Two Nitrogen-Rich Energetic Coordination Polymers.","Inorganic chemistry","2016","55","21","11064","11071","10.1021/acs.inorgchem.6b01630","","","0.71073","MoKα","","0.0463","0.0428","","","0.1316","0.1349","","","","","","1.072","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348790","15.437","0.002","15.437","0.002","7.5112","0.0015","90","","90","","90","","1789.9","0.5","293","2","293","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C32 H22 Cl Cu N4 O5 S8 -","- C32 H20 Cl Cu N4 O5 S8 -","- C64 H40 Cl2 Cu2 N8 O10 S16 -","2","0.25","","Yin, Zhong-Nan; Li, Yan-Hong; Sun, Yong-Gang; Chen, Ting; Xu, Jing; Zhu, Qin-Yu; Dai, Jie","3D Copper Tetrathiafulvalene Redox-Active Network with 8-Fold Interpenetrating Diamond-like Topology.","Inorganic chemistry","2016","55","18","9154","9157","10.1021/acs.inorgchem.6b01632","","","0.71073","MoKα","","0.106","0.0844","","","0.1309","0.1406","","","","","","1.034","","","","has coordinates","233346","2020-10-21","18:00:00",""
"4348791","23.7556","0.0014","12.9539","0.0008","22.6368","0.0012","90","","108.793","0.002","90","","6594.6","0.7","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H37 Mn2 N5 O9 -","- C35 H37 Mn2 N5 O9 -","- C280 H296 Mn16 N40 O72 -","8","1","","Konstantatos, Andreas; Bewley, Robert; Barra, Anne-Laure; Bendix, Jesper; Piligkos, Stergios; Weihe, Høgni","In-Depth Magnetic Characterization of a [2 × 2] Mn(III) Square Grid Using SQUID Magnetometry, Inelastic Neutron Scattering, and High-Field Electron Paramagnetic Resonance Spectroscopy.","Inorganic chemistry","2016","55","20","10377","10382","10.1021/acs.inorgchem.6b01634","","","0.71073","MoKα","","0.0587","0.0367","","","0.0801","0.0895","","","","","","1.0692","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348792","12.2832","0.0005","17.9598","0.0008","27.4523","0.0012","90","","92.5739","0.0017","90","","6050","0.5","100","","100","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H75 B2 Cl3 F8 N4 P4 Re6 Se8 -","- C29.5 H75 B2 Cl3 F8 N4 P4 Re6 Se8 -","- C118 H300 B8 Cl12 F32 N16 P16 Re24 Se32 -","4","1","","Corbin, William C.; Nichol, Gary S.; Zheng, Zhiping","Amidine Production by the Addition of NH<sub>3</sub> to Nitrile(s) Bound to and Activated by the Lewis Acidic [Re<sub>6</sub>(μ<sub>3</sub>-Se)<sub>8</sub>]<sup>2+</sup> Cluster Core.","Inorganic chemistry","2016","55","19","9505","9508","10.1021/acs.inorgchem.6b01643","","","0.71073","MoKα","","0.0484","0.0365","","","0.0795","0.084","","","","","","1.115","","","","has coordinates","233350","2020-10-21","18:00:00",""
"4348793","10.7462","0.0008","20.1379","0.0016","12.7725","0.0008","90","","96.037","0.003","90","","2748.7","0.3","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H72 B2 F8 N4 P4 Re6 Se8 -","- C28 H72 B2 F8 N4 P4 Re6 Se8 -","- C56 H144 B4 F16 N8 P8 Re12 Se16 -","2","0.5","","Corbin, William C.; Nichol, Gary S.; Zheng, Zhiping","Amidine Production by the Addition of NH<sub>3</sub> to Nitrile(s) Bound to and Activated by the Lewis Acidic [Re<sub>6</sub>(μ<sub>3</sub>-Se)<sub>8</sub>]<sup>2+</sup> Cluster Core.","Inorganic chemistry","2016","55","19","9505","9508","10.1021/acs.inorgchem.6b01643","","","0.71073","MoKα","","0.0272","0.0231","","","0.0476","0.0486","","","","","","1.17","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348794","13.8033","0.0008","20.8117","0.0012","21.2736","0.0011","90","","104.897","0.002","90","","5905.9","0.6","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H81 B2 F8 N2 P5 Re6 Se8 -","- C32 H81 B2 F8 N2 P5 Re6 Se8 -","- C128 H324 B8 F32 N8 P20 Re24 Se32 -","4","1","","Corbin, William C.; Nichol, Gary S.; Zheng, Zhiping","Amidine Production by the Addition of NH<sub>3</sub> to Nitrile(s) Bound to and Activated by the Lewis Acidic [Re<sub>6</sub>(μ<sub>3</sub>-Se)<sub>8</sub>]<sup>2+</sup> Cluster Core.","Inorganic chemistry","2016","55","19","9505","9508","10.1021/acs.inorgchem.6b01643","","","0.71073","MoKα","","0.0599","0.0403","","","0.0872","0.0953","","","","","","1.084","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348795","19.697","0.0013","8.7362","0.0006","12.3963","0.0008","90","","90","","90","","2133.1","0.2","100","","100","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17 H20.83 Cu F6 N5 Sb -","- C17 H20.83 Cu F6 N5 Sb -","- C68 H83.32 Cu4 F24 N20 Sb4 -","4","1","","Domyati, Doaa; Hope, Sydney L.; Latifi, Reza; Hearns, Micah D.; Tahsini, Laleh","Cu(I) Complexes of Pincer Pyridine-Based N-Heterocyclic Carbenes with Small Wingtip Substituents: Synthesis and Structural and Spectroscopic Studies.","Inorganic chemistry","2016","55","22","11685","11693","10.1021/acs.inorgchem.6b01646","","","0.71073","MoKα","","0.0225","0.021","","","0.0457","0.0464","","","","","","1.047","","","","has coordinates,has disorder","233353","2020-10-21","18:00:00",""
"4348796","11.8254","0.0005","11.9626","0.0005","17.9274","0.0007","80.587","0.001","78.93","0.001","64.446","0.001","2236.05","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H50 Cu2 F12 N10 P2 -","- C38 H50 Cu2 F12 N10 P2 -","- C76 H100 Cu4 F24 N20 P4 -","2","1","","Domyati, Doaa; Hope, Sydney L.; Latifi, Reza; Hearns, Micah D.; Tahsini, Laleh","Cu(I) Complexes of Pincer Pyridine-Based N-Heterocyclic Carbenes with Small Wingtip Substituents: Synthesis and Structural and Spectroscopic Studies.","Inorganic chemistry","2016","55","22","11685","11693","10.1021/acs.inorgchem.6b01646","","","0.71073","MoKα","","0.033","0.0267","","","0.0637","0.067","","","","","","1.048","","","","has coordinates","233354","2020-10-21","18:00:00",""
"4348797","11.0391","0.0013","10.3084","0.0012","16.3127","0.0019","90","","107.991","0.002","90","","1765.5","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cu F6 N5 P -","- C15 H17 Cu F6 N5 P -","- C60 H68 Cu4 F24 N20 P4 -","4","1","","Domyati, Doaa; Hope, Sydney L.; Latifi, Reza; Hearns, Micah D.; Tahsini, Laleh","Cu(I) Complexes of Pincer Pyridine-Based N-Heterocyclic Carbenes with Small Wingtip Substituents: Synthesis and Structural and Spectroscopic Studies.","Inorganic chemistry","2016","55","22","11685","11693","10.1021/acs.inorgchem.6b01646","","","0.71073","MoKα","","0.0444","0.0352","","","0.0854","0.0912","","","","","","1.044","","","","has coordinates","233356","2020-10-21","18:00:00",""
"4348798","8.479","0.005","11.834","0.005","19.116","0.005","90","0.005","98.451","0.005","90","0.005","1897.3","1.5","100","","100","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C15 H17 Cu F6 N5 P -","- C15 H17 Cu F6 N5 P -","- C60 H68 Cu4 F24 N20 P4 -","4","1","","Domyati, Doaa; Hope, Sydney L.; Latifi, Reza; Hearns, Micah D.; Tahsini, Laleh","Cu(I) Complexes of Pincer Pyridine-Based N-Heterocyclic Carbenes with Small Wingtip Substituents: Synthesis and Structural and Spectroscopic Studies.","Inorganic chemistry","2016","55","22","11685","11693","10.1021/acs.inorgchem.6b01646","","","0.71073","MoKα","","0.0303","0.0277","","","0.0719","0.0731","","","","","","1.079","","","","has coordinates","233357","2020-10-21","18:00:00",""
"4348799","25.5637","0.0005","11.1587","0.0002","18.8415","0.0006","90","","132.34","0.001","90","","3972.76","0.18","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 Cu F6 N5 P -","- C17 H21 Cu F6 N5 P -","- C136 H168 Cu8 F48 N40 P8 -","8","1","","Domyati, Doaa; Hope, Sydney L.; Latifi, Reza; Hearns, Micah D.; Tahsini, Laleh","Cu(I) Complexes of Pincer Pyridine-Based N-Heterocyclic Carbenes with Small Wingtip Substituents: Synthesis and Structural and Spectroscopic Studies.","Inorganic chemistry","2016","55","22","11685","11693","10.1021/acs.inorgchem.6b01646","","","0.71073","MoKα","","0.0355","0.0312","","","0.0825","0.0851","","","","","","1.073","","","","has coordinates","233359","2020-10-21","18:00:00",""
"4348800","11.7223","0.0004","9.3695","0.0003","15.8283","0.0006","90","","104.398","0.001","90","","1683.85","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Br Mn N4 O3 -","- C16 H12 Br Mn N4 O3 -","- C64 H48 Br4 Mn4 N16 O12 -","4","1","","Stanton, 3rd, Charles J; Vandezande, Jonathon E.; Majetich, George F.; Schaefer, 3rd, Henry F; Agarwal, Jay","Mn-NHC Electrocatalysts: Increasing π Acidity Lowers the Reduction Potential and Increases the Turnover Frequency for CO<sub>2</sub> Reduction.","Inorganic chemistry","2016","55","19","9509","9512","10.1021/acs.inorgchem.6b01657","","","0.71073","MoKα","","0.0249","0.0215","","","0.0573","0.0585","","","","","","1.065","","","","has coordinates","233362","2020-10-21","18:00:00",""
"4348801","12.9432","0.0008","14.6116","0.0009","18.9914","0.0011","90","","107.542","0.003","90","","3424.6","0.4","100","2","100.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Cl2 Eu N8 O1.79 -","- C32 H41 Cl2 Eu N8 O1.793 -","- C128 H164 Cl8 Eu4 N32 O7.172 -","4","1","","Jin, Guo-Xia; Bailey, Matthew D.; Allen, Matthew J.","Unique Eu(II) Coordination Environments with a Janus Cryptand.","Inorganic chemistry","2016","55","17","9085","9090","10.1021/acs.inorgchem.6b01659","","","0.71073","MoKα","","0.0493","0.0408","","","0.1025","0.1085","","","","","","1.044","","","","has coordinates,has disorder","233364","2020-10-21","18:00:00",""
"4348802","10.5874","0.001","13.0022","0.0013","15.2354","0.0014","88.736","0.006","74.793","0.005","78.543","0.005","1982.5","0.3","100","2","100.1","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H98 Eu2 I4 N16 O10 -","- C66 H98 Eu2 I4 N16 O9.34 -","- C66 H98 Eu2 I4 N16 O9.34 -","1","0.5","","Jin, Guo-Xia; Bailey, Matthew D.; Allen, Matthew J.","Unique Eu(II) Coordination Environments with a Janus Cryptand.","Inorganic chemistry","2016","55","17","9085","9090","10.1021/acs.inorgchem.6b01659","","","0.71073","MoKα","","0.1262","0.0928","","","0.2544","0.2825","","","","","","1.1","","","","has coordinates,has disorder","233366","2020-10-21","18:00:00",""
"4348803","5.2746","0.0016","17.04","0.005","11.407","0.003","90","","94.197","0.005","90","","1022.5","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H32 Cl2 N4 O6 Zn -","- C12 H28 Cl2 N4 O6 Zn -","- C24 H56 Cl4 N8 O12 Zn2 -","2","1","","Yuan, Shaotang; Nawrocki, Shiri; Stranick, Michael; Yang, Ying; Zheng, Chong; Masters, James G.; Pan, Long","A Water-Soluble Cationic Zinc Lysine Precursor for Coating ZnO on Biomaterial Surfaces.","Inorganic chemistry","2016","55","20","10094","10097","10.1021/acs.inorgchem.6b01663","","","0.71073","MoKα","","0.034","0.0318","","","0.0816","0.083","","","","","","1.18","","","","has coordinates","233368","2020-10-21","18:00:00",""
"4348804","14.6691","0.0008","18.0515","0.001","17.5329","0.0009","90","","92.0975","0.0015","90","","4639.6","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H61 Al N2 P2 -","- C53 H61 Al N2 P2 -","- C212 H244 Al4 N8 P8 -","4","1","","Chu, Terry; Boyko, Yaroslav; Korobkov, Ilia; Kuzmina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Oxidative Addition of Disulfides, Alkyl Sulfides, and Diphosphides to an Aluminum(I) Center.","Inorganic chemistry","2016","55","17","9099","9104","10.1021/acs.inorgchem.6b01668","","","0.71073","MoKα","","0.057","0.0459","","","0.1192","0.1289","","","","","","1.033","","","","has coordinates,has disorder","233370","2020-10-21","18:00:00",""
"4348805","16.4471","0.0005","20.3617","0.0005","9.8161","0.0002","90","","90","","90","","3287.32","0.14","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C33 H50 Al N2 S -","- C33 H50 Al N2 S -","- C132 H200 Al4 N8 S4 -","4","0.5","","Chu, Terry; Boyko, Yaroslav; Korobkov, Ilia; Kuzmina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Oxidative Addition of Disulfides, Alkyl Sulfides, and Diphosphides to an Aluminum(I) Center.","Inorganic chemistry","2016","55","17","9099","9104","10.1021/acs.inorgchem.6b01668","","","0.71073","MoKα","","0.0578","0.0499","","","0.1539","0.1637","","","","","","1.09","","","","has coordinates,has disorder","233372","2020-10-21","18:00:00",""
"4348806","9.6103","0.0007","22.3119","0.0015","17.1718","0.0012","90","","95.512","0.002","90","","3665","0.4","120","0.2","120","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H51 Al N2 S2 -","- C41 H51 Al N2 S2 -","- C164 H204 Al4 N8 S8 -","4","1","","Chu, Terry; Boyko, Yaroslav; Korobkov, Ilia; Kuzmina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Oxidative Addition of Disulfides, Alkyl Sulfides, and Diphosphides to an Aluminum(I) Center.","Inorganic chemistry","2016","55","17","9099","9104","10.1021/acs.inorgchem.6b01668","","","0.71073","MoKα","","0.0799","0.0668","","","0.1628","0.1736","","","","","","1.067","","","","has coordinates","233373","2020-10-21","18:00:00",""
"4348807","8.952","0.0002","13.9264","0.0003","27.3934","0.0006","90","","93.261","0.002","90","","3409.58","0.13","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 Dy N10 Ni O10 W -","- C27 H26 Dy N10 Ni O10 W -","- C108 H104 Dy4 N40 Ni4 O40 W4 -","4","1","","Vieru, Veacheslav; Pasatoiu, Traian D.; Ungur, Liviu; Suturina, Elizaveta; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius; Chibotaru, Liviu F.","Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Investigation of a New Series of Ni<sup>II</sup>-Ln<sup>III</sup>-W<sup>V</sup> Heterotrimetallics: Understanding the SMM Behavior of Mixed Polynuclear Complexes.","Inorganic chemistry","2016","55","23","12158","12171","10.1021/acs.inorgchem.6b01669","","","0.71073","MoKα","","0.0454","0.0413","","","0.1033","0.1065","","","","","","1.191","","","","has coordinates","233375","2020-10-21","18:00:00",""
"4348808","8.9103","0.0003","13.9215","0.0005","27.273","0.001","90","","93.553","0.004","90","","3376.6","0.2","180","","180","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 Gd N10 Ni O10 W -","- C27 H20 Gd N10 Ni O10 W -","- C108 H80 Gd4 N40 Ni4 O40 W4 -","4","1","","Vieru, Veacheslav; Pasatoiu, Traian D.; Ungur, Liviu; Suturina, Elizaveta; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius; Chibotaru, Liviu F.","Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Investigation of a New Series of Ni<sup>II</sup>-Ln<sup>III</sup>-W<sup>V</sup> Heterotrimetallics: Understanding the SMM Behavior of Mixed Polynuclear Complexes.","Inorganic chemistry","2016","55","23","12158","12171","10.1021/acs.inorgchem.6b01669","","","0.7107","MoKα","","0.0936","0.0435","","0.136","0.0532","0.0545","","","","","","0.9978","","","","has coordinates","233377","2020-10-21","18:00:00",""
"4348809","8.9506","0.0005","13.9237","0.0006","27.4023","0.0015","90","","93.252","0.004","90","","3409.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N10 Ni O10 W Y -","- C27 H20 N10 Ni O10 W Y -","- C108 H80 N40 Ni4 O40 W4 Y4 -","4","1","","Vieru, Veacheslav; Pasatoiu, Traian D.; Ungur, Liviu; Suturina, Elizaveta; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius; Chibotaru, Liviu F.","Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Investigation of a New Series of Ni<sup>II</sup>-Ln<sup>III</sup>-W<sup>V</sup> Heterotrimetallics: Understanding the SMM Behavior of Mixed Polynuclear Complexes.","Inorganic chemistry","2016","55","23","12158","12171","10.1021/acs.inorgchem.6b01669","","","0.71073","MoKα","","0.084","0.0597","","","0.1264","0.1399","","","","","","1.064","","","","has coordinates","233379","2020-10-21","18:00:00",""
"4348810","8.9298","0.0004","13.9422","0.0007","30.8112","0.0019","90","","90","","90","","3836","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 Lu N10 Ni O10 W -","- C27 H20 Lu N10 Ni O10 W -","- C108 H80 Lu4 N40 Ni4 O40 W4 -","4","1","","Vieru, Veacheslav; Pasatoiu, Traian D.; Ungur, Liviu; Suturina, Elizaveta; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius; Chibotaru, Liviu F.","Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Investigation of a New Series of Ni<sup>II</sup>-Ln<sup>III</sup>-W<sup>V</sup> Heterotrimetallics: Understanding the SMM Behavior of Mixed Polynuclear Complexes.","Inorganic chemistry","2016","55","23","12158","12171","10.1021/acs.inorgchem.6b01669","","","0.71073","MoKα","","0.0984","0.084","","","0.2182","0.2316","","","","","","1.055","","","","has coordinates","233381","2020-10-21","18:00:00",""
"4348811","8.9747","0.0003","13.9587","0.0004","27.4653","0.0009","90","","93.266","0.003","90","","3435.13","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 Eu N10 Ni O10 W -","- C27 H20 Eu N10 Ni O10 W -","- C108 H80 Eu4 N40 Ni4 O40 W4 -","4","1","","Vieru, Veacheslav; Pasatoiu, Traian D.; Ungur, Liviu; Suturina, Elizaveta; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius; Chibotaru, Liviu F.","Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Investigation of a New Series of Ni<sup>II</sup>-Ln<sup>III</sup>-W<sup>V</sup> Heterotrimetallics: Understanding the SMM Behavior of Mixed Polynuclear Complexes.","Inorganic chemistry","2016","55","23","12158","12171","10.1021/acs.inorgchem.6b01669","","","0.71073","MoKα","","0.0467","0.0369","","","0.076","0.0792","","","","","","1.057","","","","has coordinates","233382","2020-10-21","18:00:00",""
"4348812","14.121","0.003","16.241","0.003","16.42","0.004","90","","107.644","0.003","90","","3588.6","1.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H116 N4 O8 Sm2 -","- C70 H116 N4 O8 Sm2 -","- C140 H232 N8 O16 Sm4 -","2","0.5","","Li, Jianfeng; Zhao, Chaoyue; Liu, Jinxi; Huang, Hanmin; Wang, Fengxin; Xu, Xiufang; Cui, Chunming","Activation of Ene-Diamido Samarium Methoxide with Hydrosilane for Selectively Catalytic Hydrosilylation of Alkenes and Polymerization of Styrene: an Experimental and Theoretical Mechanistic Study.","Inorganic chemistry","2016","55","17","9105","9111","10.1021/acs.inorgchem.6b01670","","","0.71073","MoKα","","0.0267","0.0227","","","0.0521","0.0533","","","","","","1.026","","","","has coordinates","233384","2020-10-21","18:00:00",""
"4348813","11.0624","0.0012","15.4603","0.0016","7.5432","0.0008","90","","91.661","0.003","90","","1289.6","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Ag Br2 N O0 S -","- C9 H14 Ag Br2 N S -","- C36 H56 Ag4 Br8 N4 S4 -","4","1","","Wang, Fan; Wang, Yu-Ting; Yu, Hong; Chen, Jin-Xiang; Gao, Bin-Bin; Lang, Jian-Ping","One Unique 1D Silver(I)-Bromide-Thiol Coordination Polymer Used for Highly Efficient Chemiresistive Sensing of Ammonia and Amines in Water.","Inorganic chemistry","2016","55","18","9417","9423","10.1021/acs.inorgchem.6b01688","","","0.71073","MoKα","","0.0385","0.0352","","","0.0893","0.092","","","","","","1.119","","","","has coordinates","233386","2020-10-21","18:00:00",""
"4348814","27.6602","0.0005","27.6602","0.0005","27.6602","0.0005","90","","90","","90","","21162.5","0.7","173","2","173","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Fe13 cluster capped by 6 bismuth cations and 12 TFA ligands","","","- C24 Bi6 F36 Fe13 O76 -","- C24 Bi6 F36 Fe13 O76 -","- C192 Bi48 F288 Fe104 O608 -","8","0.333333","","Sadeghi, Omid; Falaise, Clément; Molina, Pedro I.; Hufschmid, Ryan; Campana, Charles F.; Noll, Bruce C.; Browning, Nigel D.; Nyman, May","Chemical Stabilization and Electrochemical Destabilization of the Iron Keggin Ion in Water.","Inorganic chemistry","2016","55","21","11078","11088","10.1021/acs.inorgchem.6b01694","","x-ray","1.54184","CuKα","","0.0928","0.0411","","","0.0463","0.053","","","","1.36","1.36","1.16","","","","has coordinates","233389","2020-10-21","18:00:00",""
"4348815","19.944","0.002","19.251","0.002","15.101","0.0016","90","","103.109","0.004","90","","5646.8","1","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C20 Bi6 F30 Fe13 Na4 O58 -","- C20 Bi6 F30 Fe13 Na4 O58 -","- C40 Bi12 F60 Fe26 Na8 O116 -","2","0.25","","Sadeghi, Omid; Falaise, Clément; Molina, Pedro I.; Hufschmid, Ryan; Campana, Charles F.; Noll, Bruce C.; Browning, Nigel D.; Nyman, May","Chemical Stabilization and Electrochemical Destabilization of the Iron Keggin Ion in Water.","Inorganic chemistry","2016","55","21","11078","11088","10.1021/acs.inorgchem.6b01694","","x-ray","0.71073","MoKα","","0.1253","0.0701","","","0.0818","0.0851","","","","3.08","3.08","2.6","","","","has coordinates","233391","2020-10-21","18:00:00",""
"4348816","13.8","0.003","15.4","0.003","18.5","0.004","79","0.03","80","0.03","74","0.03","3679.2","1.5","130","0.1","130","0.1","","","","","","","","8","P 1","P 1","1","","","","- C72 H63.11 B Cl Cu3 F4 N3 P6 -","- C72 H63.125 B Cl Cu3 F4 N3 P6 -","- C144 H126.25 B2 Cl2 Cu6 F8 N6 P12 -","2","2","","Li, Jiaye; White, Jonathan M.; Mulder, Roger J.; Reid, Gavin E.; Donnelly, Paul S.; O'Hair, Richard A J","Synthesis, Structural Characterization, and Gas-Phase Unimolecular Reactivity of Bis(diphenylphosphino)amino Copper Hydride Nanoclusters [Cu<sub>3</sub>(X)(μ<sub>3</sub>-H)((PPh<sub>2</sub>)<sub>2</sub>NH)<sub>3</sub>](BF<sub>4</sub>), Where X = μ<sub>2</sub>-Cl and μ<sub>3</sub>-BH<sub>4</sub>.","Inorganic chemistry","2016","55","19","9858","9868","10.1021/acs.inorgchem.6b01696","","x-ray","0.71073","MoKα","","0.0792","0.0666","","","0.1853","0.202","","","","","","1.111","","","","has coordinates,has disorder","233393","2020-10-21","18:00:00",""
"4348817","18.421","0.0004","22.4885","0.0003","21.369","0.0004","90","","113.774","0.002","90","","8101.2","0.3","292.56","0.1","292.56","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H68 B2 Cu3 F4 N3 P6 -","- C72 H68 B2 Cu3 F4 N3 P6 -","- C288 H272 B8 Cu12 F16 N12 P24 -","4","1","","Li, Jiaye; White, Jonathan M.; Mulder, Roger J.; Reid, Gavin E.; Donnelly, Paul S.; O'Hair, Richard A J","Synthesis, Structural Characterization, and Gas-Phase Unimolecular Reactivity of Bis(diphenylphosphino)amino Copper Hydride Nanoclusters [Cu<sub>3</sub>(X)(μ<sub>3</sub>-H)((PPh<sub>2</sub>)<sub>2</sub>NH)<sub>3</sub>](BF<sub>4</sub>), Where X = μ<sub>2</sub>-Cl and μ<sub>3</sub>-BH<sub>4</sub>.","Inorganic chemistry","2016","55","19","9858","9868","10.1021/acs.inorgchem.6b01696","","x-ray","1.54184","CuKα","","0.0555","0.0427","","","0.1125","0.1209","","","","","","1.062","","","","has coordinates,has disorder","233395","2020-10-21","18:00:00",""
"4348818","5.8725","0.0005","17.3346","0.0018","6.9668","0.0008","90","","94.346","0.006","90","","707.16","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 Co O14 U -","- C12 Co O14 U -","- C24 Co2 O28 U2 -","2","1","","Falaise, Clément; Delille, Jason; Volkringer, Christophe; Vezin, Hervé; Rabu, Pierre; Loiseau, Thierry","Series of Hydrated Heterometallic Uranyl-Cobalt(II) Coordination Polymers with Aromatic Polycarboxylate Ligands: Formation of U═O-Co Bonding upon Dehydration Process.","Inorganic chemistry","2016","55","20","10453","10466","10.1021/acs.inorgchem.6b01697","","","0.71073","MoKα","","0.083","0.0681","","","0.1802","0.2065","","","","","","1.258","","","","has coordinates","233398","2020-10-21","18:00:00",""
"4348819","6.8061","0.0006","8.2468","0.0007","9.0956","0.0008","103.824","0.004","94.823","0.004","102.719","0.004","478.51","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 Co O20 U2 -","- C12 Co O20 U2 -","- C12 Co O20 U2 -","1","0.5","","Falaise, Clément; Delille, Jason; Volkringer, Christophe; Vezin, Hervé; Rabu, Pierre; Loiseau, Thierry","Series of Hydrated Heterometallic Uranyl-Cobalt(II) Coordination Polymers with Aromatic Polycarboxylate Ligands: Formation of U═O-Co Bonding upon Dehydration Process.","Inorganic chemistry","2016","55","20","10453","10466","10.1021/acs.inorgchem.6b01697","","","0.71073","MoKα","","0.0205","0.0175","","","0.0374","0.0382","","","","","","1.067","","","","has coordinates","233400","2020-10-21","18:00:00",""
"4348820","8.2965","0.0002","8.5833","0.0002","9.876","0.0002","96.564","0.001","102.938","0.001","94.199","0.001","677.38","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 Co O14 U -","- C6 Co O14 U -","- C12 Co2 O28 U2 -","2","1","","Falaise, Clément; Delille, Jason; Volkringer, Christophe; Vezin, Hervé; Rabu, Pierre; Loiseau, Thierry","Series of Hydrated Heterometallic Uranyl-Cobalt(II) Coordination Polymers with Aromatic Polycarboxylate Ligands: Formation of U═O-Co Bonding upon Dehydration Process.","Inorganic chemistry","2016","55","20","10453","10466","10.1021/acs.inorgchem.6b01697","","","0.71073","MoKα","","0.0371","0.0305","","","0.0624","0.0661","","","","","","0.999","","","","has coordinates","233402","2020-10-21","18:00:00",""
"4348821","8.87","0.002","11.134","0.003","11.215","0.003","86.203","0.014","87.314","0.014","87.076","0.014","1102.7","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 Co O22 U2 -","- C12 Co O22 U2 -","- C24 Co2 O44 U4 -","2","1","","Falaise, Clément; Delille, Jason; Volkringer, Christophe; Vezin, Hervé; Rabu, Pierre; Loiseau, Thierry","Series of Hydrated Heterometallic Uranyl-Cobalt(II) Coordination Polymers with Aromatic Polycarboxylate Ligands: Formation of U═O-Co Bonding upon Dehydration Process.","Inorganic chemistry","2016","55","20","10453","10466","10.1021/acs.inorgchem.6b01697","","","0.71073","MoKα","","0.0339","0.0266","","","0.067","0.0709","","","","","","1.09","","","","has coordinates","233404","2020-10-21","18:00:00",""
"4348822","6.885","0.0003","8.5229","0.0004","11.384","0.0005","95.411","0.002","90.8","0.002","108.87","0.002","628.59","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 Co O26 U2 -","- C12 Co O26 U2 -","- C12 Co O26 U2 -","1","0.5","","Falaise, Clément; Delille, Jason; Volkringer, Christophe; Vezin, Hervé; Rabu, Pierre; Loiseau, Thierry","Series of Hydrated Heterometallic Uranyl-Cobalt(II) Coordination Polymers with Aromatic Polycarboxylate Ligands: Formation of U═O-Co Bonding upon Dehydration Process.","Inorganic chemistry","2016","55","20","10453","10466","10.1021/acs.inorgchem.6b01697","","","0.71073","MoKα","","0.0201","0.0174","","","0.0445","0.0457","","","","","","1.01","","","","has coordinates","233405","2020-10-21","18:00:00",""
"4348823","6.3037","0.0001","8.3564","0.0002","9.1115","0.0002","97.919","0.001","91.438","0.001","103.204","0.001","462.018","0.017","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 Co O20 U -","- C12 Co O20 U -","- C12 Co O20 U -","1","0.5","","Falaise, Clément; Delille, Jason; Volkringer, Christophe; Vezin, Hervé; Rabu, Pierre; Loiseau, Thierry","Series of Hydrated Heterometallic Uranyl-Cobalt(II) Coordination Polymers with Aromatic Polycarboxylate Ligands: Formation of U═O-Co Bonding upon Dehydration Process.","Inorganic chemistry","2016","55","20","10453","10466","10.1021/acs.inorgchem.6b01697","","","0.71073","MoKα","","0.0171","0.017","","","0.0443","0.0444","","","","","","1.09","","","","has coordinates","233406","2020-10-21","18:00:00",""
"4348824","8.39","0.0002","18.0142","0.0003","21.9051","0.0004","90","","90","","90","","3310.72","0.11","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C24 H12 Co O25 U2 -","- C24 H12 Co O25 U2 -","- C96 H48 Co4 O100 U8 -","4","0.5","","Falaise, Clément; Delille, Jason; Volkringer, Christophe; Vezin, Hervé; Rabu, Pierre; Loiseau, Thierry","Series of Hydrated Heterometallic Uranyl-Cobalt(II) Coordination Polymers with Aromatic Polycarboxylate Ligands: Formation of U═O-Co Bonding upon Dehydration Process.","Inorganic chemistry","2016","55","20","10453","10466","10.1021/acs.inorgchem.6b01697","","","0.71073","MoKα","","0.0203","0.0188","","","0.0383","0.0386","","","","","","1.082","","","","has coordinates","233407","2020-10-21","18:00:00",""
"4348825","9.903","0.003","10.233","0.003","12.099","0.003","85.385","0.005","73.186","0.005","63.122","0.004","1045.1","0.5","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C38 H42 Cu2 I2 N2 P2 Pt S2 -","- C38 H42 Cu2 I2 N2 P2 Pt S2 -","- C38 H42 Cu2 I2 N2 P2 Pt S2 -","1","0.5","","Juvenal, Frank; Langlois, Adam; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","Luminescent 1D- and 2D-Coordination Polymers Using CuX Salts (X = Cl, Br, I) and a Metal-Containing Dithioether Ligand.","Inorganic chemistry","2016","55","21","11096","11109","10.1021/acs.inorgchem.6b01703","","x-ray","0.71073","MoKα","","0.0171","0.0168","","","0.0406","0.0407","","","","","","1.037","","","","has coordinates","233408","2020-10-21","18:00:00",""
"4348826","13.531","0.003","14.255","0.003","19.179","0.004","108.262","0.005","94.987","0.005","109.415","0.006","3236.9","1.2","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C52 H71 Cl4 Cu4 N P4 Pt2 S4 -","- C52 H71 Cl4 Cu4 N P4 Pt2 S4 -","- C104 H142 Cl8 Cu8 N2 P8 Pt4 S8 -","2","1","","Juvenal, Frank; Langlois, Adam; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","Luminescent 1D- and 2D-Coordination Polymers Using CuX Salts (X = Cl, Br, I) and a Metal-Containing Dithioether Ligand.","Inorganic chemistry","2016","55","21","11096","11109","10.1021/acs.inorgchem.6b01703","","x-ray","0.71073","MoKα","","0.0544","0.0339","","","0.0684","0.0732","","","","","","1.038","","","","has coordinates","233409","2020-10-21","18:00:00",""
"4348827","11.119","0.003","11.277","0.003","12.796","0.004","87.709","0.005","89.756","0.006","71.78","0.006","1522.8","0.7","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C48 H64 Br4 Cu4 P4 Pt2 S4 -","- C48 H64 Br4 Cu4 P4 Pt2 S4 -","- C48 H64 Br4 Cu4 P4 Pt2 S4 -","1","0.5","","Juvenal, Frank; Langlois, Adam; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","Luminescent 1D- and 2D-Coordination Polymers Using CuX Salts (X = Cl, Br, I) and a Metal-Containing Dithioether Ligand.","Inorganic chemistry","2016","55","21","11096","11109","10.1021/acs.inorgchem.6b01703","","x-ray","0.71073","MoKα","","0.026","0.0183","","","0.0355","0.0369","","","","","","1.008","","","","has coordinates,has disorder","233410","2020-10-21","18:00:00",""
"4348828","10.255","0.003","10.705","0.003","11.407","0.003","77.946","0.005","65.306","0.005","61.884","0.004","1003.4","0.5","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C14 H19.5 Cu2 I2 N0.5 P Pt0.5 S -","- C14 H19.5 Cu2 I2 N0.5 P Pt0.5 S -","- C28 H39 Cu4 I4 N P2 Pt S2 -","2","1","","Juvenal, Frank; Langlois, Adam; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","Luminescent 1D- and 2D-Coordination Polymers Using CuX Salts (X = Cl, Br, I) and a Metal-Containing Dithioether Ligand.","Inorganic chemistry","2016","55","21","11096","11109","10.1021/acs.inorgchem.6b01703","","x-ray","0.71073","MoKα","","0.0158","0.0149","","","0.0345","0.0348","","","","","","1.069","","","","has coordinates,has disorder","233411","2020-10-21","18:00:00",""
"4348829","13.3232","0.0013","5.7135","0.0006","17.2298","0.0017","90","","103.522","0.002","90","","1275.2","0.2","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 P2 Pt S2 -","- C24 H32 P2 Pt S2 -","- C48 H64 P4 Pt2 S4 -","2","0.5","","Juvenal, Frank; Langlois, Adam; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","Luminescent 1D- and 2D-Coordination Polymers Using CuX Salts (X = Cl, Br, I) and a Metal-Containing Dithioether Ligand.","Inorganic chemistry","2016","55","21","11096","11109","10.1021/acs.inorgchem.6b01703","","x-ray","1.54186","CuKα","","0.0524","0.0507","","","0.1325","0.1355","","","","","","1.085","","","","has coordinates","233412","2020-10-21","18:00:00",""
"4348830","11.119","0.003","11.26","0.003","12.801","0.004","87.41","0.006","89.416","0.005","72.021","0.005","1522.9","0.7","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C48 H64 Br4 Cu4 P4 Pt2 S4 -","- C48 H64 Br4 Cu4 P4 Pt2 S4 -","- C48 H64 Br4 Cu4 P4 Pt2 S4 -","1","1","","Juvenal, Frank; Langlois, Adam; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","Luminescent 1D- and 2D-Coordination Polymers Using CuX Salts (X = Cl, Br, I) and a Metal-Containing Dithioether Ligand.","Inorganic chemistry","2016","55","21","11096","11109","10.1021/acs.inorgchem.6b01703","","","0.71073","MoKα","","0.0291","0.0215","","","0.0414","0.0431","","","","","","1.303","","","","has coordinates,has disorder","233413","2020-10-21","18:00:00",""
"4348831","9.055","0.003","12.988","0.004","15.424","0.004","83.32","0.007","86.02","0.007","79.651","0.007","1770.2","0.9","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C31 H37 Cl2 Cu2 N P2 Pt S2 -","- C31 H37 Cl2 Cu2 N P2 Pt S2 -","- C62 H74 Cl4 Cu4 N2 P4 Pt2 S4 -","2","1","","Juvenal, Frank; Langlois, Adam; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","Luminescent 1D- and 2D-Coordination Polymers Using CuX Salts (X = Cl, Br, I) and a Metal-Containing Dithioether Ligand.","Inorganic chemistry","2016","55","21","11096","11109","10.1021/acs.inorgchem.6b01703","","x-ray","0.71073","MoKα","","0.0333","0.029","","","0.0924","0.0967","","","","","","0.891","","","","has coordinates","233414","2020-10-21","18:00:00",""
"4348832","36.963","0.003","36.963","0.003","36.963","0.003","90","","90","","90","","50501","7","100","2","100","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C120 H12 Ag12 F72 N24 -","- C119.976 H12 Ag12 F72 N24 -","- C1919.62 H192 Ag192 F1152 N384 -","16","0.0833333","","Jayaratna, Naleen B.; Olmstead, Marilyn M.; Kharisov, Boris I.; Dias, H. V. Rasika","Coinage Metal Pyrazolates [(3,5-(CF3)2Pz)M]3 (M = Au, Ag, Cu) as Buckycatchers.","Inorganic chemistry","2016","55","17","8277","8280","10.1021/acs.inorgchem.6b01709","","","0.71073","MoKα","","0.0412","0.0387","","","0.0928","0.0957","","","","","","1.109","","","","has coordinates,has disorder","233416","2020-10-21","18:00:00",""
"4348833","36.34","0.003","36.34","0.003","36.34","0.003","90","","90","","90","","47990","7","100","2","100","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C120 H12 Cu12 F72 N24 -","- C119.976 H12 Cu12 F72 N24 -","- C1919.62 H192 Cu192 F1152 N384 -","16","0.0833333","","Jayaratna, Naleen B.; Olmstead, Marilyn M.; Kharisov, Boris I.; Dias, H. V. Rasika","Coinage Metal Pyrazolates [(3,5-(CF3)2Pz)M]3 (M = Au, Ag, Cu) as Buckycatchers.","Inorganic chemistry","2016","55","17","8277","8280","10.1021/acs.inorgchem.6b01709","","","0.71073","MoKα","","0.073","0.0725","","","0.1507","0.151","","","","","","1.248","","","","has coordinates,has disorder","233417","2020-10-21","18:00:00",""
"4348834","36.823","0.006","36.823","0.006","36.823","0.006","90","","90","","90","","49930","14","100","2","100","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C120 H12 Au12 F72 N24 -","- C119.976 H12 Au12 F72 N24 -","- C1919.62 H192 Au192 F1152 N384 -","16","0.0833333","","Jayaratna, Naleen B.; Olmstead, Marilyn M.; Kharisov, Boris I.; Dias, H. V. Rasika","Coinage Metal Pyrazolates [(3,5-(CF3)2Pz)M]3 (M = Au, Ag, Cu) as Buckycatchers.","Inorganic chemistry","2016","55","17","8277","8280","10.1021/acs.inorgchem.6b01709","","","0.71073","MoKα","","0.0366","0.0257","","","0.0582","0.0702","","","","","","1.306","","","","has coordinates,has disorder","233418","2020-10-21","18:00:00",""
"4348835","10.766","0.002","12.993","0.003","20.035","0.004","76.46","0.03","85.52","0.03","69.16","0.03","2546.4","1.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 N4 O9 S Zn2 -","- C40 H42 N4 O9 S Zn2 -","- C80 H84 N8 O18 S2 Zn4 -","2","1","","Hawes, Chris S.; Knowles, Gregory P.; Chaffee, Alan L.; White, Keith F.; Abrahams, Brendan F.; Batten, Stuart R.; Turner, David R.","Porous Polyrotaxane Coordination Networks Containing Two Distinct Conformers of a Discontinuously Flexible Ligand.","Inorganic chemistry","2016","55","20","10467","10474","10.1021/acs.inorgchem.6b01713","","","0.7109","Synchrotron","","0.0867","0.0754","","","0.2102","0.2196","","","","","","1.044","","","","has coordinates,has disorder","233420","2020-10-21","18:00:00",""
"4348836","11.739","0.002","13.76","0.003","16.428","0.003","114.67","0.03","95.03","0.03","92.65","0.03","2392","1","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H41 N5 O8 Zn2 -","- C44 H41 N5 O8 Zn2 -","- C88 H82 N10 O16 Zn4 -","2","1","","Hawes, Chris S.; Knowles, Gregory P.; Chaffee, Alan L.; White, Keith F.; Abrahams, Brendan F.; Batten, Stuart R.; Turner, David R.","Porous Polyrotaxane Coordination Networks Containing Two Distinct Conformers of a Discontinuously Flexible Ligand.","Inorganic chemistry","2016","55","20","10467","10474","10.1021/acs.inorgchem.6b01713","","","0.7109","Synchrotron","","0.1001","0.0699","","","0.1868","0.208","","","","","","1.042","","","","has coordinates,has disorder","233420","2020-10-21","18:00:00",""
"4348837","12.5861","0.0007","20.5884","0.0011","16.689","0.0009","90","","90.488","0.001","90","","4324.4","0.4","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H41 Au N2 O8 Re2 -","- C41 H41 Au N2 O8 Re2 -","- C164 H164 Au4 N8 O32 Re8 -","4","1","","Adams, Richard D.; Dhull, Poonam; Rassolov, Vitaly; Wong, Yuen Onn","Synthesis and Reactivity of Electronically Unsaturated Dirhenium Carbonyl Compounds Containing Bridging Gold-Carbene Groups.","Inorganic chemistry","2016","55","20","10475","10483","10.1021/acs.inorgchem.6b01714","","","0.71073","MoKα","","0.03","0.0245","","","0.0613","0.0646","","","","","","1.026","","","","has coordinates","233421","2020-10-21","18:00:00",""
"4348838","12.4221","0.0005","16.2998","0.0006","16.8304","0.0006","90","","97.224","0.001","90","","3380.7","0.2","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H72 Au2 N4 O8 Re2 -","- C62 H72 Au2 N4 O8 Re2 -","- C124 H144 Au4 N8 O16 Re4 -","2","0.5","","Adams, Richard D.; Dhull, Poonam; Rassolov, Vitaly; Wong, Yuen Onn","Synthesis and Reactivity of Electronically Unsaturated Dirhenium Carbonyl Compounds Containing Bridging Gold-Carbene Groups.","Inorganic chemistry","2016","55","20","10475","10483","10.1021/acs.inorgchem.6b01714","","","0.71073","MoKα","","0.0548","0.0352","","","0.0732","0.0814","","","","","","1.053","","","","has coordinates","233421","2020-10-21","18:00:00",""
"4348839","16.3541","0.001","14.582","0.0009","33.521","0.002","90","","90","","90","","7993.9","0.8","294","2","294","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C35 H37 Au N2 O8 Re2 -","- C35 H37 Au N2 O8 Re2 -","- C280 H296 Au8 N16 O64 Re16 -","8","2","","Adams, Richard D.; Dhull, Poonam; Rassolov, Vitaly; Wong, Yuen Onn","Synthesis and Reactivity of Electronically Unsaturated Dirhenium Carbonyl Compounds Containing Bridging Gold-Carbene Groups.","Inorganic chemistry","2016","55","20","10475","10483","10.1021/acs.inorgchem.6b01714","","","0.71073","MoKα","","0.0491","0.034","","","0.0729","0.0804","","","","","","1.015","","","","has coordinates","233421","2020-10-21","18:00:00",""
"4348840","14.3405","0.001","12.8309","0.0009","22.5612","0.0015","90","","98.161","0.001","90","","4109.3","0.5","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 Au N2 O9 Re2 -","- C36 H37 Au N2 O9 Re2 -","- C144 H148 Au4 N8 O36 Re8 -","4","1","","Adams, Richard D.; Dhull, Poonam; Rassolov, Vitaly; Wong, Yuen Onn","Synthesis and Reactivity of Electronically Unsaturated Dirhenium Carbonyl Compounds Containing Bridging Gold-Carbene Groups.","Inorganic chemistry","2016","55","20","10475","10483","10.1021/acs.inorgchem.6b01714","","","0.71073","MoKα","","0.0313","0.0253","","","0.062","0.0659","","","","","","1.063","","","","has coordinates","233421","2020-10-21","18:00:00",""
"4348841","19.3475","0.0009","11.2082","0.0005","37.416","0.0018","90","","94.003","0.001","90","","8093.9","0.7","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 Au N2 O8 Re2 -","- C37 H39 Au N2 O8 Re2 -","- C296 H312 Au8 N16 O64 Re16 -","8","2","","Adams, Richard D.; Dhull, Poonam; Rassolov, Vitaly; Wong, Yuen Onn","Synthesis and Reactivity of Electronically Unsaturated Dirhenium Carbonyl Compounds Containing Bridging Gold-Carbene Groups.","Inorganic chemistry","2016","55","20","10475","10483","10.1021/acs.inorgchem.6b01714","","","0.71073","MoKα","","0.0808","0.0526","","","0.1151","0.1319","","","","","","0.855","","","","has coordinates","233421","2020-10-21","18:00:00",""
"4348842","7.8467","0.0003","31.9117","0.0013","17.9901","0.0008","90","","92.6779","0.0011","90","","4499.8","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 I2 N Si -","- C20 H31 I2 N Si -","- C160 H248 I16 N8 Si8 -","8","2","","Li, Yan; Chan, Yuk-Chi; Li, Yongxin; Purushothaman, Indu; De, Susmita; Parameswaran, Pattiyil; So, Cheuk-Wai","Synthesis of a Bent 2-Silaallene with a Perturbed Electronic Structure from a Cyclic Alkyl(amino) Carbene-Diiodosilylene.","Inorganic chemistry","2016","55","17","9091","9098","10.1021/acs.inorgchem.6b01716","","","0.71073","MoKα","","0.0764","0.0381","","","0.0953","0.1372","","","","","","1.086","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348843","10.0645","0.0019","17.697","0.003","15.512","0.003","90","","90.888","0.004","90","","2762.5","0.9","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H40 I2 N2 Si2 -","- C23 H40 I2 N2 Si2 -","- C92 H160 I8 N8 Si8 -","4","1","","Li, Yan; Chan, Yuk-Chi; Li, Yongxin; Purushothaman, Indu; De, Susmita; Parameswaran, Pattiyil; So, Cheuk-Wai","Synthesis of a Bent 2-Silaallene with a Perturbed Electronic Structure from a Cyclic Alkyl(amino) Carbene-Diiodosilylene.","Inorganic chemistry","2016","55","17","9091","9098","10.1021/acs.inorgchem.6b01716","","","0.71073","MoKα","","0.0992","0.0599","","","0.14","0.1746","","","","","","0.996","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348844","9.9332","0.0009","12.471","0.0011","16.4044","0.0014","109.388","0.002","97.093","0.002","104.146","0.003","1811.7","0.3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C34.5 H55 I2 N3 Si -","- C34.5 H55 I2 N3 Si -","- C69 H110 I4 N6 Si2 -","2","1","","Li, Yan; Chan, Yuk-Chi; Li, Yongxin; Purushothaman, Indu; De, Susmita; Parameswaran, Pattiyil; So, Cheuk-Wai","Synthesis of a Bent 2-Silaallene with a Perturbed Electronic Structure from a Cyclic Alkyl(amino) Carbene-Diiodosilylene.","Inorganic chemistry","2016","55","17","9091","9098","10.1021/acs.inorgchem.6b01716","","","0.71073","MoKα","","0.1424","0.0591","","","0.0858","0.1083","","","","","","0.991","","","","has coordinates,has disorder","233423","2020-10-21","18:00:00",""
"4348845","9.6322","0.0009","15.0447","0.0014","21.449","0.002","78.976","0.002","88.624","0.003","87.02","0.002","3046.5","0.5","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H51 N3 Si -","- C31 H51 N3 Si -","- C124 H204 N12 Si4 -","4","2","","Li, Yan; Chan, Yuk-Chi; Li, Yongxin; Purushothaman, Indu; De, Susmita; Parameswaran, Pattiyil; So, Cheuk-Wai","Synthesis of a Bent 2-Silaallene with a Perturbed Electronic Structure from a Cyclic Alkyl(amino) Carbene-Diiodosilylene.","Inorganic chemistry","2016","55","17","9091","9098","10.1021/acs.inorgchem.6b01716","","","0.71073","MoKα","","0.1765","0.0891","","","0.1685","0.2102","","","","","","1.015","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348846","15.9335","0.0004","14.2589","0.0003","18.5741","0.0005","90","","93.9117","0.0011","90","","4210.1","0.18","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 I2 N2 Si2 -","- C40 H64 I2 N2 Si2 -","- C160 H256 I8 N8 Si8 -","4","1","","Li, Yan; Chan, Yuk-Chi; Li, Yongxin; Purushothaman, Indu; De, Susmita; Parameswaran, Pattiyil; So, Cheuk-Wai","Synthesis of a Bent 2-Silaallene with a Perturbed Electronic Structure from a Cyclic Alkyl(amino) Carbene-Diiodosilylene.","Inorganic chemistry","2016","55","17","9091","9098","10.1021/acs.inorgchem.6b01716","","","0.71073","MoKα","","0.0774","0.0392","","","0.0762","0.094","","","","","","1.005","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348847","10.8221","0.0013","8.2063","0.001","27.479","0.003","90","","91.9","0.002","90","","2439.1","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H42 N2 O Zn -","- C25 H42 N2 O Zn -","- C100 H168 N8 O4 Zn4 -","4","1","","Ebrahimi, Tannaz; Mamleeva, Emiliya; Yu, Insun; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","The Role of Nitrogen Donors in Zinc Catalysts for Lactide Ring-Opening Polymerization.","Inorganic chemistry","2016","55","18","9445","9453","10.1021/acs.inorgchem.6b01722","","","0.71073","MoKα","","0.032","0.0278","","","0.0688","0.0706","","","","","","1.112","","","","has coordinates","233424","2020-10-21","18:00:00",""
"4348848","8.698","0.003","13.248","0.004","14.936","0.005","67.192","0.006","81.571","0.007","74.512","0.006","1527.1","0.9","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H46 N2 O Zn -","- C35 H46 N2 O Zn -","- C70 H92 N4 O2 Zn2 -","2","1","","Ebrahimi, Tannaz; Mamleeva, Emiliya; Yu, Insun; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","The Role of Nitrogen Donors in Zinc Catalysts for Lactide Ring-Opening Polymerization.","Inorganic chemistry","2016","55","18","9445","9453","10.1021/acs.inorgchem.6b01722","","","0.71073","MoKα","","0.046","0.0362","","","0.0801","0.0846","","","","","","1.022","","","","has coordinates,has disorder","233424","2020-10-21","18:00:00",""
"4348849","9.251","0.0016","17.559","0.003","17.356","0.003","90","","98.095","0.004","90","","2791.2","0.8","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 N2 O2 Zn -","- C30 H46 N2 O2 Zn -","- C120 H184 N8 O8 Zn4 -","4","1","","Ebrahimi, Tannaz; Mamleeva, Emiliya; Yu, Insun; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","The Role of Nitrogen Donors in Zinc Catalysts for Lactide Ring-Opening Polymerization.","Inorganic chemistry","2016","55","18","9445","9453","10.1021/acs.inorgchem.6b01722","","","0.71069","MoKα","","0.0282","0.0244","","","0.0629","0.0654","","","","","","1.033","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348850","10.1201","0.001","12.8255","0.0011","13.2607","0.0013","117.778","0.004","94.59","0.005","104.696","0.004","1432.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H88 N4 O4 Zn2 -","- C60 H88 N4 O4 Zn2 -","- C60 H88 N4 O4 Zn2 -","1","0.5","","Ebrahimi, Tannaz; Mamleeva, Emiliya; Yu, Insun; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","The Role of Nitrogen Donors in Zinc Catalysts for Lactide Ring-Opening Polymerization.","Inorganic chemistry","2016","55","18","9445","9453","10.1021/acs.inorgchem.6b01722","","","0.71073","MoKα","","0.0722","0.0542","","","0.1287","0.1398","","","","","","1.059","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348851","14.685","0.004","15.209","0.004","18.275","0.005","109.488","0.006","106.282","0.006","103.098","0.006","3454.6","1.6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H96 N4 O4 Zn2 -","- C80 H96 N4 O4 Zn2 -","- C160 H192 N8 O8 Zn4 -","2","1","","Ebrahimi, Tannaz; Mamleeva, Emiliya; Yu, Insun; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","The Role of Nitrogen Donors in Zinc Catalysts for Lactide Ring-Opening Polymerization.","Inorganic chemistry","2016","55","18","9445","9453","10.1021/acs.inorgchem.6b01722","","","0.71073","MoKα","","0.0557","0.0381","","","0.0886","0.0971","","","","","","1.02","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348852","11.8172","0.0005","15.9905","0.0009","16.8567","0.0009","89.993","0.001","82.361","0.002","72.89","0.001","3014.7","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H48 N2 O2 Zn -","- C31 H48 N2 O2 Zn -","- C124 H192 N8 O8 Zn4 -","4","2","","Ebrahimi, Tannaz; Mamleeva, Emiliya; Yu, Insun; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","The Role of Nitrogen Donors in Zinc Catalysts for Lactide Ring-Opening Polymerization.","Inorganic chemistry","2016","55","18","9445","9453","10.1021/acs.inorgchem.6b01722","","","0.71073","MoKα","","0.0612","0.0396","","","0.0826","0.0878","","","","","","0.916","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348853","9.773","0.004","18.025","0.008","14.571","0.006","90","","98.688","0.006","90","","2537.4","1.9","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H80 N12 O2 W2 -","- C46 H80 N12 O2 W2 -","- C92 H160 N24 O4 W4 -","2","0.5","","Chiarella, Gina M.; Feng, Chao; Murillo, Carlos A.; Zhao, Qinliang","Exploring the Intricacies of Weak Interactions in Metal-Metal Bonds Using an Unsymmetrical Carbonyl Precursor and a Triple-Bonded W2(6+) Paddlewheel.","Inorganic chemistry","2016","55","18","9471","9481","10.1021/acs.inorgchem.6b01728","","","0.71073","MoKα","","0.044","0.032","","","0.0733","0.0795","","","","","","1.044","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348854","20.097","0.003","19.113","0.003","34.639","0.006","90","","90","","90","","13305","4","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H86 Cl6 F12 N12 P2 W2 -","- C47 H86 Cl6 F12 N12 P2 W2 -","- C376 H688 Cl48 F96 N96 P16 W16 -","8","1","","Chiarella, Gina M.; Feng, Chao; Murillo, Carlos A.; Zhao, Qinliang","Exploring the Intricacies of Weak Interactions in Metal-Metal Bonds Using an Unsymmetrical Carbonyl Precursor and a Triple-Bonded W2(6+) Paddlewheel.","Inorganic chemistry","2016","55","18","9471","9481","10.1021/acs.inorgchem.6b01728","","","0.71073","MoKα","","0.0868","0.0499","","","0.1121","0.1247","","","","","","1.739","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4348855","9.0473","0.0014","11.725","0.002","15.177","0.003","90","","93.842","0.011","90","","1606.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 N4 Ni2 O6 -","- C32 H44 N4 Ni2 O6 -","- C64 H88 N8 Ni4 O12 -","2","0.5","","Fondo, Matilde; Doejo, Jesús; García-Deibe, Ana M; Sanmartín-Matalobos, Jesús; Vicente, Ramón; El-Fallah, Mohamed S; Amoza, Martín; Ruiz, Eliseo","Predetermined Ferromagnetic Coupling via Strict Control of M-O-M Angles.","Inorganic chemistry","2016","55","22","11707","11715","10.1021/acs.inorgchem.6b01739","","","0.71073","MoKα","","0.0529","0.0444","","","0.1078","0.1155","","","","","","1.064","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348856","9.8691","0.0004","8.757","0.0004","18.9882","0.0007","90","","92.231","0.002","90","","1639.79","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 N4 Ni2 O6 -","- C36 H40 N4 Ni2 O6 -","- C72 H80 N8 Ni4 O12 -","2","0.5","","Fondo, Matilde; Doejo, Jesús; García-Deibe, Ana M; Sanmartín-Matalobos, Jesús; Vicente, Ramón; El-Fallah, Mohamed S; Amoza, Martín; Ruiz, Eliseo","Predetermined Ferromagnetic Coupling via Strict Control of M-O-M Angles.","Inorganic chemistry","2016","55","22","11707","11715","10.1021/acs.inorgchem.6b01739","","","0.71073","MoKα","","0.0564","0.0428","","","0.0786","0.0823","","","","","","1.151","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348857","36.793","0.01","36.793","0.01","36.793","0.01","90","","90","","90","","49808","2","90","2","90","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","networked spin cages","","","- C26 H16 Co N10 S2 -","- C26 H16 Co N10 S2 -","- C624 H384 Co24 N240 S48 -","24","0.125","","Ning, Guo-Hong; Tian, Bingbing; Tan, Li-Min; Ding, Zijing; Herng, Tun Seng; Ding, Jun; Loh, Kian Ping","Networked Spin Cages: Tunable Magnetism and Lithium Ion Storage via Modulation of Spin-Electron Interactions.","Inorganic chemistry","2016","55","19","9892","9897","10.1021/acs.inorgchem.6b01740","","","0.71073","MoKα","","0.2808","0.1486","","","0.379","0.4348","","","","","","2.004","","","","has coordinates","233430","2020-10-21","18:00:00",""
"4348858","31.969","0.008","10.512","0.003","29.754","0.008","90","","90","","90","","9999","5","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C106 H152 K2 N6 O8 -","- C106 H146 K2 N6 O8 -","- C424 H584 K8 N24 O32 -","4","1","","Zhong, Fei; Yang, Xiaodong; Shen, Lingyi; Zhao, Yanxia; Ma, Hongwei; Wu, Biao; Yang, Xiao-Juan","Multinuclear Alkali Metal Complexes of a Triphenylene-Based Hexamine and the Transmetalation to Tris(N-heterocyclic tetrylenes) (Ge, Sn, Pb).","Inorganic chemistry","2016","55","17","9112","9120","10.1021/acs.inorgchem.6b01743","","","0.71073","MoKα","","0.1464","0.0945","","","0.1944","0.2182","","","","","","1.146","","","","has coordinates","233432","2020-10-21","18:00:00",""
"4348859","13.679","0.002","37.518","0.007","23.728","0.004","90","","104.405","0.002","90","","11795","3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C132 H156 N6 Pb3 -","- C132 H156 N6 Pb3 -","- C528 H624 N24 Pb12 -","4","1","","Zhong, Fei; Yang, Xiaodong; Shen, Lingyi; Zhao, Yanxia; Ma, Hongwei; Wu, Biao; Yang, Xiao-Juan","Multinuclear Alkali Metal Complexes of a Triphenylene-Based Hexamine and the Transmetalation to Tris(N-heterocyclic tetrylenes) (Ge, Sn, Pb).","Inorganic chemistry","2016","55","17","9112","9120","10.1021/acs.inorgchem.6b01743","","","0.71073","MoKα","","0.1269","0.0732","","","0.156","0.1756","","","","","","1.147","","","","has coordinates","233434","2020-10-21","18:00:00",""
"4348860","16.792","0.003","22.379","0.004","33.35","0.006","90","","103.396","0.002","90","","12192","4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C125 H186 Li6 N6 O14 -","- C125 H186 Li6 N6 O14 -","- C500 H744 Li24 N24 O56 -","4","1","","Zhong, Fei; Yang, Xiaodong; Shen, Lingyi; Zhao, Yanxia; Ma, Hongwei; Wu, Biao; Yang, Xiao-Juan","Multinuclear Alkali Metal Complexes of a Triphenylene-Based Hexamine and the Transmetalation to Tris(N-heterocyclic tetrylenes) (Ge, Sn, Pb).","Inorganic chemistry","2016","55","17","9112","9120","10.1021/acs.inorgchem.6b01743","","","0.71073","MoKα","","0.1843","0.0844","","","0.1729","0.2108","","","","","","1.133","","","","has coordinates","233436","2020-10-21","18:00:00",""
"4348861","18.473","0.005","23.229","0.006","28.377","0.007","89.694","0.004","88.26","0.004","70.273","0.004","11457","5","153","2","153","","","","","","","","","5","P -1","-P 1","2","","","","- C466 H710 N24 Na8 O44 -","- C463 H596 N24 Na8 O44.4 -","- C463 H596 N24 Na8 O44.4 -","1","0.5","","Zhong, Fei; Yang, Xiaodong; Shen, Lingyi; Zhao, Yanxia; Ma, Hongwei; Wu, Biao; Yang, Xiao-Juan","Multinuclear Alkali Metal Complexes of a Triphenylene-Based Hexamine and the Transmetalation to Tris(N-heterocyclic tetrylenes) (Ge, Sn, Pb).","Inorganic chemistry","2016","55","17","9112","9120","10.1021/acs.inorgchem.6b01743","","","0.71073","MOKα","","0.2488","0.1047","","","0.2111","0.2635","","","","","","1.021","","","","has coordinates","233437","2020-10-21","18:00:00",""
"4348862","16.813","0.006","26.712","0.009","21.678","0.007","90","","106.172","0.005","90","","9351","5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C97 H116 Ge3 N6 -","- C97 H116 Ge3 N6 -","- C388 H464 Ge12 N24 -","4","1","","Zhong, Fei; Yang, Xiaodong; Shen, Lingyi; Zhao, Yanxia; Ma, Hongwei; Wu, Biao; Yang, Xiao-Juan","Multinuclear Alkali Metal Complexes of a Triphenylene-Based Hexamine and the Transmetalation to Tris(N-heterocyclic tetrylenes) (Ge, Sn, Pb).","Inorganic chemistry","2016","55","17","9112","9120","10.1021/acs.inorgchem.6b01743","","","0.71073","MoKα","","0.1044","0.0739","","","0.1565","0.1667","","","","","","1.127","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348863","16.526","0.004","16.626","0.003","20.31","0.003","80.99","0.002","86.881","0.002","60.471","0.001","4793.9","1.6","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C97 H116 N6 Sn3 -","- C97 H108 N6 Sn3 -","- C194 H216 N12 Sn6 -","2","1","","Zhong, Fei; Yang, Xiaodong; Shen, Lingyi; Zhao, Yanxia; Ma, Hongwei; Wu, Biao; Yang, Xiao-Juan","Multinuclear Alkali Metal Complexes of a Triphenylene-Based Hexamine and the Transmetalation to Tris(N-heterocyclic tetrylenes) (Ge, Sn, Pb).","Inorganic chemistry","2016","55","17","9112","9120","10.1021/acs.inorgchem.6b01743","","","0.71073","MoKα","","0.055","0.0476","","","0.1208","0.1243","","","","","","0.971","","","","has coordinates,has disorder","233440","2020-10-21","18:00:00",""
"4348864","18.205","0.003","21.759","0.004","30.886","0.006","90","","95.18","0.002","90","","12185","4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C114 H171 K3 N6 O12 -","- C114 H171 K3 N6 O12 -","- C456 H684 K12 N24 O48 -","4","1","","Zhong, Fei; Yang, Xiaodong; Shen, Lingyi; Zhao, Yanxia; Ma, Hongwei; Wu, Biao; Yang, Xiao-Juan","Multinuclear Alkali Metal Complexes of a Triphenylene-Based Hexamine and the Transmetalation to Tris(N-heterocyclic tetrylenes) (Ge, Sn, Pb).","Inorganic chemistry","2016","55","17","9112","9120","10.1021/acs.inorgchem.6b01743","","","0.71073","MoKα","","0.1408","0.0831","","","0.1741","0.1929","","","","","","1.015","","","","has coordinates","233441","2020-10-21","18:00:00",""
"4348865","7.7334","0.0002","22.8741","0.0009","13.6999","0.0005","90","","93.14","0.002","90","","2419.8","0.14","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","dpg47re226","","","- C21 H10 Au B F10 N6 Pb -","- C21 H10 Au B F10 N6 Pb -","- C84 H40 Au4 B4 F40 N24 Pb4 -","4","1","","Echeverría, Raquel; López-de-Luzuriaga, José M; Monge, Miguel; Moreno, Sonia; Olmos, M. Elena","New Insights into the Au(I)···Pb(II) Closed-Shell Interaction: Tuning of the Emissive Properties with the Intermetallic Distance.","Inorganic chemistry","2016","55","20","10523","10534","10.1021/acs.inorgchem.6b01749","","x-ray","0.71073","MoKα","","0.065","0.037","","","0.0742","0.0835","","","","","","0.981","","","","has coordinates","233442","2020-10-21","18:00:00",""
"4348866","26.1538","0.0012","15.0817","0.0007","18.841","0.0008","90","","132.819","0.002","90","","5451.2","0.5","173","2","173","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","dpg49re228","","","- C21 H10 Au B Cl4 F6 N6 Pb -","- C21 H10 Au B Cl4 F6 N6 Pb -","- C168 H80 Au8 B8 Cl32 F48 N48 Pb8 -","8","1","","Echeverría, Raquel; López-de-Luzuriaga, José M; Monge, Miguel; Moreno, Sonia; Olmos, M. Elena","New Insights into the Au(I)···Pb(II) Closed-Shell Interaction: Tuning of the Emissive Properties with the Intermetallic Distance.","Inorganic chemistry","2016","55","20","10523","10534","10.1021/acs.inorgchem.6b01749","","x-ray","0.71073","MoKα","","0.0854","0.0426","","","0.0844","0.098","","","","","","0.999","","","","has coordinates","233443","2020-10-21","18:00:00",""
"4348867","12.1397","0.0011","12.3267","0.0011","14.532","0.0014","107.347","0.006","93.129","0.007","113.264","0.005","1869.7","0.3","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H31 B F2 N6 O8 -","- C41 H31 B F2 N6 O8 -","- C82 H62 B2 F4 N12 O16 -","2","1","","Dhanunjayarao, Kunchala; Mukundam, Vanga; Venkatasubbaiah, Krishnan","Tetracoordinate Imidazole-Based Boron Complexes for the Selective Detection of Picric Acid.","Inorganic chemistry","2016","55","21","11153","11159","10.1021/acs.inorgchem.6b01767","","","0.71073","MoKα","","0.1071","0.0618","","","0.1778","0.2106","","","","","","1.042","","","","has coordinates","233444","2020-10-21","18:00:00",""
"4348868","14.914","0.004","23.507","0.008","9.261","0.004","90","","90","","90","","3247","2","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C5 H13 Cl2 Fe2 N O12 -","- C5 Cl2 Fe2 N O12 -","- C40 Cl16 Fe16 N8 O96 -","8","0.5","","Mastropietro, Teresa F.; Marino, Nadia; Munno, Giovanni De; Lloret, Francesc; Julve, Miguel; Pardo, Emilio; Armentano, Donatella","Selective Guest Inclusion in Oxalate-Based Iron(III) Magnetic Coordination Polymers.","Inorganic chemistry","2016","55","21","11160","11169","10.1021/acs.inorgchem.6b01769","","","0.71073","MoKα","","0.0417","0.0382","","","0.1048","0.1144","","","","","","1.006","","","","has coordinates","233445","2020-10-21","18:00:00",""
"4348869","10.7832","0.0007","13.9135","0.001","13.0578","0.0009","90","","104.06","0.003","90","","1900.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 Cl8 Fe4 N4 O21 -","- C12 H32 Cl8 Fe4 N4 O21 -","- C24 H64 Cl16 Fe8 N8 O42 -","2","0.5","","Mastropietro, Teresa F.; Marino, Nadia; Munno, Giovanni De; Lloret, Francesc; Julve, Miguel; Pardo, Emilio; Armentano, Donatella","Selective Guest Inclusion in Oxalate-Based Iron(III) Magnetic Coordination Polymers.","Inorganic chemistry","2016","55","21","11160","11169","10.1021/acs.inorgchem.6b01769","","","0.71073","MoKα","","0.0435","0.0337","","","0.077","0.0814","","","","","","1.142","","","","has coordinates","233446","2020-10-21","18:00:00",""
"4348870","8.945","0.003","14.936","0.005","12.408","0.005","90","","108.531","0.008","90","","1571.8","1","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C5 H13 Cl2 Fe2 N O12 -","- C5 H13 Cl2 Fe2 N O12 -","- C20 H52 Cl8 Fe8 N4 O48 -","4","1","","Mastropietro, Teresa F.; Marino, Nadia; Munno, Giovanni De; Lloret, Francesc; Julve, Miguel; Pardo, Emilio; Armentano, Donatella","Selective Guest Inclusion in Oxalate-Based Iron(III) Magnetic Coordination Polymers.","Inorganic chemistry","2016","55","21","11160","11169","10.1021/acs.inorgchem.6b01769","","","0.71073","MoKα","","0.0572","0.0556","","","0.1557","0.157","","","","","","1.075","","","","has coordinates","233447","2020-10-21","18:00:00",""
"4348871","8.725","0.002","7.5076","0.0019","9.026","0.003","90","","112.421","0.007","90","","546.5","0.3","294","2","294","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C3 H8 Cl3 Fe K N O5 -","- C3 H6 Cl3 Fe K N O5 -","- C6 H12 Cl6 Fe2 K2 N2 O10 -","2","0.5","","Mastropietro, Teresa F.; Marino, Nadia; Munno, Giovanni De; Lloret, Francesc; Julve, Miguel; Pardo, Emilio; Armentano, Donatella","Selective Guest Inclusion in Oxalate-Based Iron(III) Magnetic Coordination Polymers.","Inorganic chemistry","2016","55","21","11160","11169","10.1021/acs.inorgchem.6b01769","","","0.71073","MoKα","","0.0413","0.0391","","","0.1021","0.1038","","","","","","1.087","","","","has coordinates","233449","2020-10-21","18:00:00",""
"4348872","14.1037","0.001","14.1037","0.001","31.38","0.002","90","","90","","120","","5405.7","0.6","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 Br11 Fe2 K2 N12 -","- C60 H48 Ag6 Br11 Fe2 K2 N12 -","- C180 H144 Ag18 Br33 Fe6 K6 N36 -","3","0.166667","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.0792","0.0639","","","0.1711","0.1831","","","","","","1.042","","","","has coordinates","233450","2020-10-21","18:00:00",""
"4348873","14.195","0.004","14.195","0.004","30.752","0.009","90","","90","","120","","5366","3","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 Br11 K N12 Ni2 -","- C60 H48 Ag6 Br11 K N12 Ni2 -","- C180 H144 Ag18 Br33 K3 N36 Ni6 -","3","0.166667","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.0552","0.0345","","","0.072","0.0788","","","","","","1.02","","","","has coordinates","233451","2020-10-21","18:00:00",""
"4348874","14.1784","0.0014","14.1784","0.0014","30.746","0.003","90","","90","","120","","5352.7","0.9","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 Br11 Co2 K N12 -","- C60 H48 Ag6 Br11 Co2 K N12 -","- C180 H144 Ag18 Br33 Co6 K3 N36 -","3","0.166667","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.0453","0.0307","","","0.0652","0.0691","","","","","","1.136","","","","has coordinates","233453","2020-10-21","18:00:00",""
"4348875","13.558","0.001","22.2467","0.0017","28.65","0.002","90","","90","","90","","8641.4","1.1","293","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C60 H48 Ag13 Br17 N12 Ni2 -","- C60 H48 Ag13 Br17 N12 Ni2 -","- C240 H192 Ag52 Br68 N48 Ni8 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.1294","0.0629","","","0.1341","0.1619","","","","","","1.018","","","","has coordinates","233454","2020-10-21","18:00:00",""
"4348876","13.4518","0.0008","22.1531","0.0013","28.5598","0.0017","90","","90","","90","","8510.8","0.9","296","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C60 H48 Ag13 Br17 Fe2 N12 -","- C60 H48 Ag13 Br17 Fe2 N12 -","- C240 H192 Ag52 Br68 Fe8 N48 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.1116","0.0581","","","0.1442","0.1714","","","","","","1.029","","","","has coordinates","233455","2020-10-21","18:00:00",""
"4348877","13.5393","0.0009","22.1749","0.0015","28.5403","0.0019","90","","90","","90","","8568.7","1","296","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C60 H44 Ag13 Br17 Co2 N12 -","- C60 H44 Ag13 Br17 Co2 N12 -","- C240 H176 Ag52 Br68 Co8 N48 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.1141","0.06","","","0.1572","0.1893","","","","","","1.032","","","","has coordinates","233457","2020-10-21","18:00:00",""
"4348878","13.6525","0.0006","22.3249","0.0009","28.6791","0.0012","90","","90","","90","","8741.1","0.6","296","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C60 H48 Ag13 Br17 N12 Zn2 -","- C60 H48 Ag13 Br17 N12 Zn2 -","- C240 H192 Ag52 Br68 N48 Zn8 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.1076","0.0577","","","0.1408","0.1652","","","","","","1.016","","","","has coordinates","233458","2020-10-21","18:00:00",""
"4348879","14.2015","0.0011","14.2015","0.0011","30.753","0.002","90","","90","","120","","5371.4","0.7","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 Br11 K N12 Zn2 -","- C60 H48 Ag6 Br11 K N12 Zn2 -","- C180 H144 Ag18 Br33 K3 N36 Zn6 -","3","0.166667","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.05","0.0343","","","0.0819","0.088","","","","","","1.045","","","","has coordinates","233460","2020-10-21","18:00:00",""
"4348880","12.454","0.003","6.104","0.0012","25.231","0.005","90","","90","","90","","1918","0.7","180","2","180","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 Cl F4 N2 Se2 -","- C7 Cl F4 N2 Se2 -","- C56 Cl8 F32 N16 Se16 -","8","2","","Melen, Rebecca L.; Less, Robert J.; Pask, Christopher M.; Rawson, Jeremy M.","Structural Studies of Perfluoroaryldiselenadiazolyl Radicals: Insights into Dithiadiazolyl Chemistry.","Inorganic chemistry","2016","55","22","11747","11759","10.1021/acs.inorgchem.6b01771","","","0.71073","MoKα","","0.1994","0.1228","","0.3416","","0.2819","","","1.045","","","1.17","","","","has coordinates","233462","2020-10-21","18:00:00",""
"4348881","9.3532","0.0009","14.888","0.0015","16.8973","0.0011","112.901","0.005","97.942","0.006","102.909","0.005","2045.2","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H2 F9 N2 Se2 -","- C10 H2 F9 N2 Se2 -","- C60 H12 F54 N12 Se12 -","6","3","","Melen, Rebecca L.; Less, Robert J.; Pask, Christopher M.; Rawson, Jeremy M.","Structural Studies of Perfluoroaryldiselenadiazolyl Radicals: Insights into Dithiadiazolyl Chemistry.","Inorganic chemistry","2016","55","22","11747","11759","10.1021/acs.inorgchem.6b01771","","","0.71073","MoKα","","0.1454","0.0725","","","0.1615","0.1889","","","","","","1.028","","","","has coordinates","233463","2020-10-21","18:00:00",""
"4348882","10.522","0.0006","11.0414","0.0005","11.874","0.0005","62.321","0.003","89.584","0.003","63.769","0.003","1061.22","0.11","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 F7 N2 Se2 -","- C8 F7 N2 Se2 -","- C32 F28 N8 Se8 -","4","2","","Melen, Rebecca L.; Less, Robert J.; Pask, Christopher M.; Rawson, Jeremy M.","Structural Studies of Perfluoroaryldiselenadiazolyl Radicals: Insights into Dithiadiazolyl Chemistry.","Inorganic chemistry","2016","55","22","11747","11759","10.1021/acs.inorgchem.6b01771","","","0.71073","MoKα","","0.064","0.0506","","","0.1311","0.1421","","","","","","1.067","","","","has coordinates,has disorder","233464","2020-10-21","18:00:00",""
"4348883","10.8009","0.0011","10.8843","0.0016","11.1355","0.0018","62.624","0.007","64.267","0.009","63.07","0.009","993.3","0.3","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 F4 N3 O2 Se2 -","- C7 F4 N3 O2 Se2 -","- C28 F16 N12 O8 Se8 -","4","2","","Melen, Rebecca L.; Less, Robert J.; Pask, Christopher M.; Rawson, Jeremy M.","Structural Studies of Perfluoroaryldiselenadiazolyl Radicals: Insights into Dithiadiazolyl Chemistry.","Inorganic chemistry","2016","55","22","11747","11759","10.1021/acs.inorgchem.6b01771","","","0.7107","MoKα","","0.1655","0.1124","","","0.3156","0.3642","","","","","","1.106","","","","has coordinates","233466","2020-10-21","18:00:00",""
"4348884","10.812","0.009","10.811","0.002","15.502","0.01","90","","93.41","0.06","90","","1808.8","1.9","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C7 F5 N2 Se2 -","- C7 F5 N2 Se2 -","- C56 F40 N16 Se16 -","8","1","","Melen, Rebecca L.; Less, Robert J.; Pask, Christopher M.; Rawson, Jeremy M.","Structural Studies of Perfluoroaryldiselenadiazolyl Radicals: Insights into Dithiadiazolyl Chemistry.","Inorganic chemistry","2016","55","22","11747","11759","10.1021/acs.inorgchem.6b01771","","","0.71069","MoKα","","0.0757","0.0416","","","0.0884","0.1026","","","","","","1.074","","","","has coordinates","233467","2020-10-21","18:00:00",""
"4348885","12.229","0.0005","13.6519","0.0005","25.4521","0.001","83.478","0.002","84.513","0.002","76.166","0.002","4088.9","0.3","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H60 Ce N4 O6 -","- C44 H60 Ce N4 O6 -","- C176 H240 Ce4 N16 O24 -","4","2","","Levin, Jessica R.; Dorfner, Walter L.; Dai, Alan X.; Carroll, Patrick J.; Schelter, Eric J.","Density Functional Theory as a Predictive Tool for Cerium Redox Properties in Nonaqueous Solvents.","Inorganic chemistry","2016","55","24","12651","12659","10.1021/acs.inorgchem.6b01779","","","0.71073","MoKα","","0.0358","0.0313","","","0.0739","0.0755","","","","","","1.189","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348892","11.9004","0.0019","10.5394","0.0017","16.501","0.003","90","","102.795","0.003","90","","2018.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Dy N7 O9 -","- C14 H18 Dy N7 O9 -","- C56 H72 Dy4 N28 O36 -","4","1","","Sun, Lin; Zhang, Sheng; Qiao, Chengfang; Chen, Sanping; Yin, Bing; Wang, Wenyuan; Wei, Qing; Xie, Gang; Gao, Shengli","Fine-Tuning of the Coordination Environment To Regulate the Magnetic Behavior in Solvent/Anion-Dependent Dy<sup>III</sup> Compounds: Synthesis, Structure, Magnetism, and Ab Initio Calculations.","Inorganic chemistry","2016","55","20","10587","10596","10.1021/acs.inorgchem.6b01803","","","0.71073","MoKα","","0.0561","0.0384","","","0.0824","0.0893","","","","","","0.987","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348895","13.984","0.004","14.545","0.004","16.819","0.004","90","","95.306","0.004","90","","3406.3","1.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 Cl3 Dy N10 O10 -","- C24 H38 Cl3 Dy N10 O10 -","- C96 H152 Cl12 Dy4 N40 O40 -","4","0.5","","Sun, Lin; Zhang, Sheng; Qiao, Chengfang; Chen, Sanping; Yin, Bing; Wang, Wenyuan; Wei, Qing; Xie, Gang; Gao, Shengli","Fine-Tuning of the Coordination Environment To Regulate the Magnetic Behavior in Solvent/Anion-Dependent Dy<sup>III</sup> Compounds: Synthesis, Structure, Magnetism, and Ab Initio Calculations.","Inorganic chemistry","2016","55","20","10587","10596","10.1021/acs.inorgchem.6b01803","","","0.71073","MoKα","","0.0568","0.0528","","","0.1518","0.1591","","","","","","1.084","","","","has coordinates","233474","2020-10-21","18:00:00",""
"4348898","7.6971","0.0009","20.91","0.003","13.1939","0.0015","90","","101.94","0.002","90","","2077.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Dy N7 O12 -","- C12 H20 Dy N7 O12 -","- C48 H80 Dy4 N28 O48 -","4","1","","Sun, Lin; Zhang, Sheng; Qiao, Chengfang; Chen, Sanping; Yin, Bing; Wang, Wenyuan; Wei, Qing; Xie, Gang; Gao, Shengli","Fine-Tuning of the Coordination Environment To Regulate the Magnetic Behavior in Solvent/Anion-Dependent Dy<sup>III</sup> Compounds: Synthesis, Structure, Magnetism, and Ab Initio Calculations.","Inorganic chemistry","2016","55","20","10587","10596","10.1021/acs.inorgchem.6b01803","","","0.71073","MoKα","","0.0465","0.0357","","","0.0898","0.1007","","","","","","1.058","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348903","20.896","0.004","7.3872","0.0015","31.834","0.004","90","","124.636","0.009","90","","4043.1","1.3","296","2","296.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C72 H40 F24 N6 O19 Zn5 -","- C72 H40 F24 N6 O18 Zn5 -","- C144 H80 F48 N12 O36 Zn10 -","2","0.5","","Hou, Bing-Lei; Tian, Dan; Liu, Jiang; Dong, Long-Zhang; Li, Shun-Li; Li, Dong-Sheng; Lan, Ya-Qian","A Water-Stable Metal-Organic Framework for Highly Sensitive and Selective Sensing of Fe<sup>3+</sup> Ion.","Inorganic chemistry","2016","55","20","10580","10586","10.1021/acs.inorgchem.6b01809","","","0.71073","MoKα","","0.1108","0.0801","","","0.1932","0.2086","","","","","","1.065","","","","has coordinates","233479","2020-10-21","18:00:00",""
"4348905","11.02","0.002","6.95","0.0014","12.2","0.002","90","","93.3","0.03","90","","932.8","0.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H9 Eu O14 -","- C16 H9 Eu O14 -","- C32 H18 Eu2 O28 -","2","1","","Wang, Jian; Jiang, Min; Yan, Ling; Peng, Ren; Huangfu, Mengjie; Guo, Xinxin; Li, Yang; Wu, Pengyan","Multifunctional Luminescent Eu(III)-Based Metal-Organic Framework for Sensing Methanol and Detection and Adsorption of Fe(III) Ions in Aqueous Solution.","Inorganic chemistry","2016","55","24","12660","12668","10.1021/acs.inorgchem.6b01815","","","0.71073","MoKα","","0.0689","0.0634","","","0.1788","0.1984","","","","","","1.03","","","","has coordinates,has disorder","233481","2020-10-21","18:00:00",""
"4348907","23.4283","0.0005","8.7875","0.0001","28.3331","0.0006","90","","111.604","0.002","90","","5423.34","0.19","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Ag2 Au2 Cl20 S6 -","- C36 H24 Ag2 Au2 Cl20 S6 -","- C144 H96 Ag8 Au8 Cl80 S24 -","4","0.5","","Donamaría, Rocío; Gimeno, M Concepción; Lippolis, Vito; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena","Tuning the Luminescent Properties of a Ag/Au Tetranuclear Complex Featuring Metallophilic Interactions via Solvent-Dependent Structural Isomerization.","Inorganic chemistry","2016","55","21","11299","11310","10.1021/acs.inorgchem.6b01819","","","0.71073","MoKα","","0.0175","0.0167","","","0.0398","0.0401","","","","","","1.12","","","","has coordinates","233483","2020-10-21","18:00:00",""
"4348909","24.2987","0.0008","15.534","0.0004","17.1549","0.0005","90","","124.092","0.001","90","","5362.4","0.3","173","2","173","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Ag2 Au2 Cl20 S6 -","- C36 H24 Ag2 Au2 Cl20 S6 -","- C144 H96 Ag8 Au8 Cl80 S24 -","4","0.5","","Donamaría, Rocío; Gimeno, M Concepción; Lippolis, Vito; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena","Tuning the Luminescent Properties of a Ag/Au Tetranuclear Complex Featuring Metallophilic Interactions via Solvent-Dependent Structural Isomerization.","Inorganic chemistry","2016","55","21","11299","11310","10.1021/acs.inorgchem.6b01819","","x-ray","0.71073","MoKα","","0.0399","0.0276","","","0.0572","0.0607","","","","","","1.04","","","","has coordinates","233485","2020-10-21","18:00:00",""
"4348910","16.61","0.002","13.005","0.0015","19.064","0.002","90","","101.603","0.002","90","","4033.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 B16 Co P -","- C37 H49 B16 Co P -","- C148 H196 B64 Co4 P4 -","4","1","","Balagurova, Elena V.; Pisareva, Irina V.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Godovikov, Ivan A.; Chizhevsky, Igor T.","Distorted commo-Cobaltacarboranes Based on the 5,6-Dicarba-nido-decaborane(12): The First Bimetal Cobalt-Copper Zwitterion-Containing Cluster with Four (B-H)<sub>4</sub>···Cu Bonds Not Showing Fluxional Behavior in Solution.","Inorganic chemistry","2016","55","21","11193","11200","10.1021/acs.inorgchem.6b01823","","","0.71073","MoKα","","0.0852","0.0517","","","0.1069","0.1216","","","","","","1.011","","","","has coordinates,has disorder","233486","2020-10-21","18:00:00",""
"4348911","10.3124","0.0005","29.0028","0.0014","12.2419","0.0006","90","","108.778","0.001","90","","3466.5","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 B16 Co Cu P -","- C28 H41 B16 Co Cu P -","- C112 H164 B64 Co4 Cu4 P4 -","4","1","","Balagurova, Elena V.; Pisareva, Irina V.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Godovikov, Ivan A.; Chizhevsky, Igor T.","Distorted commo-Cobaltacarboranes Based on the 5,6-Dicarba-nido-decaborane(12): The First Bimetal Cobalt-Copper Zwitterion-Containing Cluster with Four (B-H)<sub>4</sub>···Cu Bonds Not Showing Fluxional Behavior in Solution.","Inorganic chemistry","2016","55","21","11193","11200","10.1021/acs.inorgchem.6b01823","","","0.71073","MoKα","","0.0679","0.0517","","","0.1121","0.1225","","","","","","1.036","","","","has coordinates","233486","2020-10-21","18:00:00",""
"4348916","18.031","0.005","11.522","0.003","16.951","0.005","90","","94.604","0.017","90","","3510.3","1.7","273","","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C82 H72 B2 N2 O4 Pt2 S2 -","- C82 H72 B2 N2 O4 Pt2 S1.4 -","- C164 H144 B4 N4 O8 Pt4 S2.8 -","2","0.5","","Rajendra Kumar, George; Thilagar, Pakkirisamy","Tuning the Phosphorescence and Solid State Luminescence of Triarylborane-Functionalized Acetylacetonato Platinum Complexes.","Inorganic chemistry","2016","55","23","12220","12229","10.1021/acs.inorgchem.6b01827","","","0.71073","MoKα","","0.1284","0.0762","","","0.1975","0.2679","","","","","","1.2216","","","","has coordinates","233488","2020-10-21","18:00:00",""
"4348917","11.8838","0.0014","22.193","0.002","15.4836","0.0018","90","","112.57","","90","","3770.8","0.7","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C88 H96 B2 N2 O4 Pt2 -","- C88 H96 B2 N O4 Pt2 -","- C176 H192 B4 N2 O8 Pt4 -","2","0.5","","Rajendra Kumar, George; Thilagar, Pakkirisamy","Tuning the Phosphorescence and Solid State Luminescence of Triarylborane-Functionalized Acetylacetonato Platinum Complexes.","Inorganic chemistry","2016","55","23","12220","12229","10.1021/acs.inorgchem.6b01827","","","0.71073","MoKα","","0.1149","0.0559","","","0.095","0.1103","","","","","","0.989","","","","has coordinates","233489","2020-10-21","18:00:00",""
"4348923","11.901","0.005","22.056","0.009","15.274","0.006","90","","111.977","0.011","90","","3718","3","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C42 H46 B N O2 Pt S -","- C42 H46 B N O2 Pt S -","- C168 H184 B4 N4 O8 Pt4 S4 -","4","1","","Rajendra Kumar, George; Thilagar, Pakkirisamy","Tuning the Phosphorescence and Solid State Luminescence of Triarylborane-Functionalized Acetylacetonato Platinum Complexes.","Inorganic chemistry","2016","55","23","12220","12229","10.1021/acs.inorgchem.6b01827","","","0.71073","MoKα","","0.0648","0.0396","","","0.0941","0.1119","","","","","","1.121","","","","has coordinates","233491","2020-10-21","18:00:00",""
"4348924","17.4508","0.0006","18.7149","0.0006","23.8379","0.0008","97.485","0.001","94.706","0.002","98.437","0.002","7594.6","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C144 H168 Cu7 N8 O16 -","- C144 H168 Cu7 N8 O16 -","- C288 H336 Cu14 N16 O32 -","2","1","","Fang, Yu; Gong, Wei; Liu, Lujia; Liu, Yan; Cui, Yong","Triple-Stranded Cluster Helicates for the Selective Catalytic Oxidation of C-H Bonds.","Inorganic chemistry","2016","55","20","10102","10105","10.1021/acs.inorgchem.6b01828","","","1.54178","CuKα","","0.0822","0.069","","","0.2","0.215","","","","","","1.04","","","","has coordinates,has disorder","233492","2020-10-21","18:00:00",""
"4348927","20.7405","0.0004","24.232","0.0005","32.6921","0.0005","90","","97.999","0.001","90","","16270.7","0.5","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C159 H210 N13 O21 Zn7 -","- C159 H210 N13 O21 Zn7 -","- C636 H840 N52 O84 Zn28 -","4","0.5","","Fang, Yu; Gong, Wei; Liu, Lujia; Liu, Yan; Cui, Yong","Triple-Stranded Cluster Helicates for the Selective Catalytic Oxidation of C-H Bonds.","Inorganic chemistry","2016","55","20","10102","10105","10.1021/acs.inorgchem.6b01828","","","1.54178","CuKα","","0.0652","0.0558","","","0.1536","0.1685","","","","","","1.084","","","","has coordinates,has disorder","233494","2020-10-21","18:00:00",""
"4348933","23.2643","0.0001","24.3295","0.0001","14.6588","0.0001","90","","90.9","","90","","8295.99","0.08","85","2","85","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C68.5 H79 Dy K Mn4 N9 O33 -","- C68.5 H76 Dy K Mn4 N9 O33 -","- C274 H304 Dy4 K4 Mn16 N36 O132 -","4","1","","Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Chow, Chun Y.; Davis, Andrew H.; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Kampf, Jeff W.; Zaleski, Curtis M.; Pecoraro, Vincent L.","The Nature of the Bridging Anion Controls the Single-Molecule Magnetic Properties of DyX<sub>4</sub>M 12-Metallacrown-4 Complexes.","Inorganic chemistry","2016","55","20","10597","10607","10.1021/acs.inorgchem.6b01832","","","1.54184","CuKα","","0.0367","0.0352","","","0.0969","0.0988","","","","","","1.045","","","","has coordinates,has disorder","233497","2020-10-21","18:00:00",""
"4348934","23.492","0.005","24.27","0.005","14.322","0.003","90","","91.621","0.004","90","","8162","3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C71 H78 Dy Mn4 N9 Na O32 -","- C71 H78 Dy Mn4 N9 Na O32 -","- C284 H312 Dy4 Mn16 N36 Na4 O128 -","4","1","","Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Chow, Chun Y.; Davis, Andrew H.; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Kampf, Jeff W.; Zaleski, Curtis M.; Pecoraro, Vincent L.","The Nature of the Bridging Anion Controls the Single-Molecule Magnetic Properties of DyX<sub>4</sub>M 12-Metallacrown-4 Complexes.","Inorganic chemistry","2016","55","20","10597","10607","10.1021/acs.inorgchem.6b01832","","","0.71073","MoKα","","0.0751","0.0573","","","0.1408","0.1492","","","","","","1.03","","","","has coordinates,has disorder","233497","2020-10-21","18:00:00",""
"4348935","14.1657","0.0001","16.5718","0.0001","16.7075","0.0001","90","","95.929","0.001","90","","3901.12","0.04","85","2","85","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C68 H66 Dy Mn4 N8 Na O29 -","- C68 H72 Dy Mn4 N8 Na O29 -","- C136 H144 Dy2 Mn8 N16 Na2 O58 -","2","1","","Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Chow, Chun Y.; Davis, Andrew H.; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Kampf, Jeff W.; Zaleski, Curtis M.; Pecoraro, Vincent L.","The Nature of the Bridging Anion Controls the Single-Molecule Magnetic Properties of DyX<sub>4</sub>M 12-Metallacrown-4 Complexes.","Inorganic chemistry","2016","55","20","10597","10607","10.1021/acs.inorgchem.6b01832","","","1.54184","CuKα","","0.0389","0.0372","","","0.0974","0.0993","","","","","","1.006","","","","has coordinates,has disorder","233497","2020-10-21","18:00:00",""
"4348936","14.1334","0.0018","16.628","0.002","16.764","0.002","90","","96.893","0.002","90","","3911.2","0.8","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C68 H75.2 Dy K Mn4 N8 O29.6 -","- C68 H75.2 Dy K Mn4 N8 O29.6 -","- C136 H150.4 Dy2 K2 Mn8 N16 O59.2 -","2","1","","Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Chow, Chun Y.; Davis, Andrew H.; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Kampf, Jeff W.; Zaleski, Curtis M.; Pecoraro, Vincent L.","The Nature of the Bridging Anion Controls the Single-Molecule Magnetic Properties of DyX<sub>4</sub>M 12-Metallacrown-4 Complexes.","Inorganic chemistry","2016","55","20","10597","10607","10.1021/acs.inorgchem.6b01832","","","0.71073","MoKα","","0.0315","0.0292","","","0.0745","0.0768","","","","","","1.06","","","","has coordinates,has disorder","233497","2020-10-21","18:00:00",""
"4348937","19.124","0.0012","18.9136","0.0011","26.0448","0.0017","90","","99.528","0.004","90","","9290.5","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C73.22 H117.22 Dy Mn4 N12.41 Na O31.59 -","- C73.224 H117.224 Dy Mn4 N12.408 Na O31.592 -","- C292.896 H468.896 Dy4 Mn16 N49.632 Na4 O126.368 -","4","1","","Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Chow, Chun Y.; Davis, Andrew H.; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Kampf, Jeff W.; Zaleski, Curtis M.; Pecoraro, Vincent L.","The Nature of the Bridging Anion Controls the Single-Molecule Magnetic Properties of DyX<sub>4</sub>M 12-Metallacrown-4 Complexes.","Inorganic chemistry","2016","55","20","10597","10607","10.1021/acs.inorgchem.6b01832","","","1.54178","CuKα","","0.0854","0.0583","","","0.1399","0.1569","","","","","","1.045","","","","has coordinates,has disorder","233497","2020-10-21","18:00:00",""
"4348942","7.0884","0.0004","11.1739","0.0006","23.9893","0.0012","90","","92.168","0.003","90","","1898.71","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cu N2 O11 -","- C16 H22 Cu N2 O11 -","- C64 H88 Cu4 N8 O44 -","4","1","","Rao, Purna Chandra; Chaudhary, Sonu Pratap; Kuznetsov, Denis; Mandal, Sukhendu","Transformation of One-Dimensional Achiral Structure to Three-Dimensional Chiral Structure: Mechanistic Study and Catalytic Activities of Chiral Structure.","Inorganic chemistry","2016","55","24","12669","12674","10.1021/acs.inorgchem.6b01836","","","0.71073","MoKα","","0.0492","0.0317","","","0.0743","0.0803","","","","","","1.038","","","","has coordinates","233500","2020-10-21","18:00:00",""
"4348943","11.055","0.0002","11.055","0.0002","47.6676","0.001","90","","90","","120","","5045.12","0.17","298","2","298","2","","","","","","","","5","P 65","P 65","170","coppercarboxylatecoordinationpolymer","","","- C32 H26 Cu2 N4 O14 -","- C32 H26 Cu2 N4 O14 -","- C192 H156 Cu12 N24 O84 -","6","1","","Rao, Purna Chandra; Chaudhary, Sonu Pratap; Kuznetsov, Denis; Mandal, Sukhendu","Transformation of One-Dimensional Achiral Structure to Three-Dimensional Chiral Structure: Mechanistic Study and Catalytic Activities of Chiral Structure.","Inorganic chemistry","2016","55","24","12669","12674","10.1021/acs.inorgchem.6b01836","","","0.71073","MoKα","","0.0477","0.0426","","","0.0897","0.0916","","","","","","1.105","","","","has coordinates","233500","2020-10-21","18:00:00",""
"4348945","11.906","0.004","13.081","0.004","15.435","0.004","98.325","0.005","106.248","0.005","106.072","0.005","2152.4","1.1","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H44 Ir N3 -","- C60 H44 Ir N3 -","- C120 H88 Ir2 N6 -","2","1","","Xue, Songlin; Kuzuhara, Daiki; Aratani, Naoki; Yamada, Hiroko","Synthesis and Characterization of an Iridium Triphyrin Complex.","Inorganic chemistry","2016","55","20","10106","10109","10.1021/acs.inorgchem.6b01841","","","0.71073","MoKα","","0.0845","0.0529","","","0.094","0.1044","","","","","","1.024","","","","has coordinates","233502","2020-10-21","18:00:00",""
"4348948","12.807","0.0008","12.807","0.0008","59.467","0.006","90","","90","","90","","9753.7","1.3","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Poly{[(mu4-5-cyanoisophthalato-kO:kO':kO'':kO''') bis(mu3-5-cyanoisophthalato-kO:kO':k2O'',O''') tetrakis(dimethylformamide)didysprosium(III)]dimethylformamide hydrate}","","- C42 H46 Dy2 N8 O18 -","- C39 H37 Dy2 N7 O16 -","- C312 H296 Dy16 N56 O128 -","8","0.5","","Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.","Inorganic chemistry","2016","55","21","11230","11248","10.1021/acs.inorgchem.6b01845","","","0.71073","MoKα","","0.0478","0.0418","","","0.0896","0.0919","","","","","","1.053","","","","has coordinates,has disorder","233504","2020-10-21","18:00:00",""
"4348952","34.967","0.002","21.6125","0.0012","41.296","0.002","90","","90","","90","","31208","3","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","Poly{[aquapentakis(mu3-5-cyanoisophtalato-kO:kO':k2O'',O''') tris(mu4-5-cyanoisophtalato-kO:kO':kO'':kO''') di(mu-formate-k2O,O':kO') decakis(dimethylformamide)hexagadolinium(III)] tris(dimethylformamide) trihydrate}","","- C113 H125 Gd6 N21 O53 -","- C104 H96 Gd6 N18 O47 -","- C832 H768 Gd48 N144 O376 -","8","1","","Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.","Inorganic chemistry","2016","55","21","11230","11248","10.1021/acs.inorgchem.6b01845","","","0.71073","MoKα","","0.1952","0.0973","","","0.2034","0.2389","","","","","","1.023","","","","has coordinates","233506","2020-10-21","18:00:00",""
"4348956","5.7384","0.0005","9.5708","0.0009","10.0605","0.0009","65.924","0.003","81.885","0.003","86.47","0.003","499.41","0.08","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Poly{[di(mu-aqua)bis(mu3-5-cyanoisophthalato-kO:kO':kO'') bis(mu3-hydroxido)tricopper(II)]}","","- C18 H12 Cu3 N2 O12 -","- C18 H12 Cu3 N2 O12 -","- C18 H12 Cu3 N2 O12 -","1","0.5","","Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.","Inorganic chemistry","2016","55","21","11230","11248","10.1021/acs.inorgchem.6b01845","","","0.71073","MoKα","","0.0585","0.0373","","","0.0754","0.0819","","","","","","1.052","","","","has coordinates","233508","2020-10-21","18:00:00",""
"4348957","7.1291","0.0002","16.0748","0.0006","11.0375","0.0004","90","","90","","90","","1264.88","0.07","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","Poly{[dimethylformamide(mu4-5-cyanoisophthalato-k2O,O':kO':kO'':kO''') cadmium(II)]}","","- C12 H10 Cd N2 O5 -","- C12 H10 Cd N2 O5 -","- C48 H40 Cd4 N8 O20 -","4","1","","Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.","Inorganic chemistry","2016","55","21","11230","11248","10.1021/acs.inorgchem.6b01845","","","0.71073","MoKα","","0.0217","0.0194","","","0.0422","0.0428","","","","","","1.08","","","","has coordinates","233509","2020-10-21","18:00:00",""
"4348959","32.767","0.002","32.767","0.002","32.767","0.002","90","","90","","90","","35181","4","100","2","100","2","","","","","","","synthesis as described","5","F m -3","-F 2 2 3","202","","Poly{[tetracosaaquadodeca(mu4-5-cyanoisophtalato-kO:kO':kO'':kO''') dodeca(mu-5-cyanoisophtalato-kO:kO'')octa(mu4-oxide)dotriacontazinc(II)] dodecakis(dimethylformamide)}","","- C252 H204 N36 O140 Zn32 -","- C216 H72 N24 O128 Zn32 -","- C864 H288 N96 O512 Zn128 -","4","0.0416667","","Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.","Inorganic chemistry","2016","55","21","11230","11248","10.1021/acs.inorgchem.6b01845","","","0.71073","MoKα","","0.0999","0.0617","","","0.1418","0.1528","","","","","","0.947","","","","has coordinates","233511","2020-10-21","18:00:00",""
"4348960","9.466","0.007","24.358","0.018","22.393","0.016","90","","91.74","0.008","90","","5161","7","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","Poly{[bis(mu4-5-cyanoisophthalato-k2O,O':kO':kO'':kO''') (mu4-5-cyanoisophthalato-kO:kO':kO'':kO''') tetradimethylformamidetricobalt(II)]bis(dimethylformamide)}","","- C45 H51 Co3 N9 O18 -","- C39 H37 Co3 N7 O16 -","- C156 H148 Co12 N28 O64 -","4","0.5","","Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.","Inorganic chemistry","2016","55","21","11230","11248","10.1021/acs.inorgchem.6b01845","","","0.71073","MoKα","","0.0885","0.0543","","","0.1195","0.1319","","","","","","0.929","","","","has coordinates","233512","2020-10-21","18:00:00",""
"4348965","14.683","0.002","17.033","0.002","17.605","0.003","110.022","0.002","91.256","0.002","91.279","0.002","4133.7","1","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C16 H126 Ag8 Mn8 N16 Na O159 Sb2 W32 -","- C16 H70 Ag8 Mn8 N16 Na O159 Sb2 W32 -","- C16 H70 Ag8 Mn8 N16 Na O159 Sb2 W32 -","1","0.5","","Han, Zhan-Gang; Zhang, Hui-Xia; Zhang, De-Shun; Liu, Chun-Na; Zheng, Ran; Xia, Gui-Bin; Wang, Xiao-Xiao","Sandwich-Type Polyoxotungstate Consisting of Two Different Trilacunary Keggin-Type Units.","Inorganic chemistry","2016","55","24","12488","12491","10.1021/acs.inorgchem.6b01848","","","0.71073","MoKα","","0.1082","0.0692","","","0.1807","0.2169","","","","","","1.014","","","","has coordinates,has disorder","233514","2020-10-21","18:00:00",""
"4348968","6.223","0.004","11.054","0.008","19.003","0.013","90","","90","","90","","1307.2","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Co2 O8 P -","- C11 H11 Co2 O8 P -","- C44 H44 Co8 O32 P4 -","4","1","","Liu, Bei; Xu, Yan; Bao, Song-Song; Huang, Xin-Da; Liu, Min; Zheng, Li-Min","Enantioenriched Cobalt Phosphonate Containing Δ-Type Chains and Showing Slow Magnetization Relaxation.","Inorganic chemistry","2016","55","19","9521","9523","10.1021/acs.inorgchem.6b01854","","","0.71073","MoKα","","0.1592","0.0659","","","0.0989","0.121","","","","","","1","","","","has coordinates","233516","2020-10-21","18:00:00",""
"4348970","6.6944","0.0009","22.299","0.003","6.7115","0.0009","90","","119.107","0.008","90","","875.4","0.2","296","2","296.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- B20 Ba4 Br2 O34 Rb4 -","- B20 Ba4 Br2 O34 Rb4 -","- B20 Ba4 Br2 O34 Rb4 -","1","0.25","","Mutailipu, Miriding; Zhang, Min; Dong, Xiaoyu; Chen, Yanna; Pan, Shilie","Effects of the Orientation of [B<sub>5</sub>O<sub>11</sub>]<sup>7-</sup> Fundamental Building Blocks on Layered Structures Based on the Pentaborates.","Inorganic chemistry","2016","55","20","10608","10616","10.1021/acs.inorgchem.6b01855","","","0.71073","MoKα","","0.0766","0.0672","","","0.1729","0.1802","","","","","","1.0259","","","","has coordinates","233518","2020-10-21","18:00:00",""
"4348971","6.7562","0.001","11.0862","0.0019","11.288","0.0018","99.073","0.01","90.601","0.01","100.383","0.01","820.6","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- B20 Ba2.5 Cl O34 Rb4 -","- B20 Ba2.5 Cl O34 Rb4 -","- B20 Ba2.5 Cl O34 Rb4 -","1","0.5","","Mutailipu, Miriding; Zhang, Min; Dong, Xiaoyu; Chen, Yanna; Pan, Shilie","Effects of the Orientation of [B<sub>5</sub>O<sub>11</sub>]<sup>7-</sup> Fundamental Building Blocks on Layered Structures Based on the Pentaborates.","Inorganic chemistry","2016","55","20","10608","10616","10.1021/acs.inorgchem.6b01855","","","0.71073","MoKα","","0.0675","0.0562","","","0.1242","0.1297","","","","","","1.0554","","","","has coordinates","233519","2020-10-21","18:00:00",""
"4348977","6.7321","0.0004","11.2428","0.0008","11.3074","0.0008","98.907","0.004","90.517","0.004","100.83","0.004","829.81","0.1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- B20 Ba2.5 Br O34 Rb4 -","- B20 Ba2.5 Br O34 Rb4 -","- B20 Ba2.5 Br O34 Rb4 -","1","0.5","","Mutailipu, Miriding; Zhang, Min; Dong, Xiaoyu; Chen, Yanna; Pan, Shilie","Effects of the Orientation of [B<sub>5</sub>O<sub>11</sub>]<sup>7-</sup> Fundamental Building Blocks on Layered Structures Based on the Pentaborates.","Inorganic chemistry","2016","55","20","10608","10616","10.1021/acs.inorgchem.6b01855","","","0.71073","MoKα","","0.063","0.052","","","0.1413","0.1491","","","","","","1.0376","","","","has coordinates","233521","2020-10-21","18:00:00",""
"4348978","6.668","0.004","14.511","0.009","8.419","0.005","90","","105.087","0.007","90","","786.5","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B5 Ba K O9 -","- B5 Ba K O9 -","- B20 Ba4 K4 O36 -","4","1","","Mutailipu, Miriding; Zhang, Min; Dong, Xiaoyu; Chen, Yanna; Pan, Shilie","Effects of the Orientation of [B<sub>5</sub>O<sub>11</sub>]<sup>7-</sup> Fundamental Building Blocks on Layered Structures Based on the Pentaborates.","Inorganic chemistry","2016","55","20","10608","10616","10.1021/acs.inorgchem.6b01855","","","0.71073","MoKα","","0.0973","0.0508","","","0.1183","0.1652","","","","","","0.998","","","","has coordinates","233522","2020-10-21","18:00:00",""
"4348981","10.8566","0.0014","22.3","0.004","15.524","0.003","90","","107.607","0.01","90","","3582.3","1.1","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 F6 N5 O2 P2 Ru -","- C33 H45 F6 N5 O2 P2 Ru -","- C132 H180 F24 N20 O8 P8 Ru4 -","4","1","","Palmucci, Jessica; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustin; Dyson, Paul J.","Synthesis, Structure, and Anticancer Activity of Arene-Ruthenium(II) Complexes with Acylpyrazolones Bearing Aliphatic Groups in the Acyl Moiety.","Inorganic chemistry","2016","55","22","11770","11781","10.1021/acs.inorgchem.6b01861","","","0.71073","MoKα","","0.0518","0.0383","","","0.0885","0.0979","","","","","","1.083","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348983","10.8982","0.0015","16.9459","0.001","20.762","0.003","90","","103.73","0.009","90","","3724.8","0.8","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H49 F6 N5 O2 P2 Ru -","- C35 H49 F6 N5 O2 P2 Ru -","- C140 H196 F24 N20 O8 P8 Ru4 -","4","1","","Palmucci, Jessica; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustin; Dyson, Paul J.","Synthesis, Structure, and Anticancer Activity of Arene-Ruthenium(II) Complexes with Acylpyrazolones Bearing Aliphatic Groups in the Acyl Moiety.","Inorganic chemistry","2016","55","22","11770","11781","10.1021/acs.inorgchem.6b01861","","","0.71073","MoKα","","0.0768","0.0561","","","0.0857","0.0918","","","","","","1.14","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348986","8.4672","0.0015","18.162","0.003","24.837","0.003","89.319","0.011","80.413","0.011","81.5","0.011","3724.4","1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H61 Cl N2 O2 Ru -","- C40 H61 Cl N2 O2 Ru -","- C160 H244 Cl4 N8 O8 Ru4 -","4","2","","Palmucci, Jessica; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustin; Dyson, Paul J.","Synthesis, Structure, and Anticancer Activity of Arene-Ruthenium(II) Complexes with Acylpyrazolones Bearing Aliphatic Groups in the Acyl Moiety.","Inorganic chemistry","2016","55","22","11770","11781","10.1021/acs.inorgchem.6b01861","","","0.71073","MoKα","","0.1313","0.0622","","","0.0899","0.1113","","","","","","1.088","","","","has coordinates","233528","2020-10-21","18:00:00",""
"4348990","20.928","0.003","7.9023","0.0005","22.882","0.003","90","","104.601","0.01","90","","3662","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H57 Cl N2 O2 Ru -","- C38 H57 Cl N2 O2 Ru -","- C152 H228 Cl4 N8 O8 Ru4 -","4","1","","Palmucci, Jessica; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustin; Dyson, Paul J.","Synthesis, Structure, and Anticancer Activity of Arene-Ruthenium(II) Complexes with Acylpyrazolones Bearing Aliphatic Groups in the Acyl Moiety.","Inorganic chemistry","2016","55","22","11770","11781","10.1021/acs.inorgchem.6b01861","","","0.71073","MoKα","","0.1295","0.0811","","","0.172","0.1984","","","","","","1.131","","","","has coordinates","233530","2020-10-21","18:00:00",""
"4348991","9.2504","0.001","11.1086","0.0011","28.607","0.004","90","","95.058","0.009","90","","2928.2","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H37 Cl N2 O2 Ru -","- C31 H37 Cl N2 O2 Ru -","- C124 H148 Cl4 N8 O8 Ru4 -","4","1","","Palmucci, Jessica; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustin; Dyson, Paul J.","Synthesis, Structure, and Anticancer Activity of Arene-Ruthenium(II) Complexes with Acylpyrazolones Bearing Aliphatic Groups in the Acyl Moiety.","Inorganic chemistry","2016","55","22","11770","11781","10.1021/acs.inorgchem.6b01861","","","0.71073","MoKα","","0.1224","0.1063","","","0.2645","0.2721","","","","","","1.276","","","","has coordinates","233531","2020-10-21","18:00:00",""
"4348993","21.957","0.004","8.1318","0.0013","29.799","0.005","90","","90","","90","","5320.6","1.6","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H37 Cl N2 O2 Ru -","- C29 H37 Cl N2 O2 Ru -","- C232 H296 Cl8 N16 O16 Ru8 -","8","2","","Palmucci, Jessica; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustin; Dyson, Paul J.","Synthesis, Structure, and Anticancer Activity of Arene-Ruthenium(II) Complexes with Acylpyrazolones Bearing Aliphatic Groups in the Acyl Moiety.","Inorganic chemistry","2016","55","22","11770","11781","10.1021/acs.inorgchem.6b01861","","","0.71073","MoKα","","0.0676","0.0468","","","0.0806","0.0891","","","","","","1.108","","","","has coordinates","233533","2020-10-21","18:00:00",""
"4348994","11.2962","0.0017","13.897","0.003","13.952","0.004","90.99","0.02","107.747","0.018","109.882","0.014","1943.7","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H49 F6 N5 O2 P2 Ru -","- C37 H49 F6 N5 O2 P2 Ru -","- C74 H98 F12 N10 O4 P4 Ru2 -","2","1","","Palmucci, Jessica; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustin; Dyson, Paul J.","Synthesis, Structure, and Anticancer Activity of Arene-Ruthenium(II) Complexes with Acylpyrazolones Bearing Aliphatic Groups in the Acyl Moiety.","Inorganic chemistry","2016","55","22","11770","11781","10.1021/acs.inorgchem.6b01861","","","0.71073","MoKα","","0.2552","0.0866","","","0.1376","0.1935","","","","","","0.778","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349004","11.8143","0.0009","8.3838","0.0009","24.967","0.003","90","","95.863","0.007","90","","2460","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Cl N2 O2 Ru -","- C27 H33 Cl N2 O2 Ru -","- C108 H132 Cl4 N8 O8 Ru4 -","4","1","","Palmucci, Jessica; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustin; Dyson, Paul J.","Synthesis, Structure, and Anticancer Activity of Arene-Ruthenium(II) Complexes with Acylpyrazolones Bearing Aliphatic Groups in the Acyl Moiety.","Inorganic chemistry","2016","55","22","11770","11781","10.1021/acs.inorgchem.6b01861","","","0.71073","MoKα","","0.0356","0.0304","","","0.0716","0.0743","","","","","","1.089","","","","has coordinates","233537","2020-10-21","18:00:00",""
"4349008","8.5275","0.0015","20.048","0.003","25.023","0.004","90","","90","","90","","4277.9","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Compound3a","","","- C46 H48 Dy2 N2 O14 -","- C46 H46 Dy2 N2 O14 -","- C184 H184 Dy8 N8 O56 -","4","0.5","","Mukherjee, Soumya; Lu, Jingjing; Velmurugan, Gunasekaran; Singh, Shweta; Rajaraman, Gopalan; Tang, Jinkui; Ghosh, Sujit K.","Influence of Tuned Linker Functionality on Modulation of Magnetic Properties and Relaxation Dynamics in a Family of Six Isotypic Ln<sub>2</sub> (Ln = Dy and Gd) Complexes.","Inorganic chemistry","2016","55","21","11283","11298","10.1021/acs.inorgchem.6b01863","","","0.71073","MoKα","","0.0985","0.0556","","","0.1141","0.1329","","","","","","1.051","","","","has coordinates","233539","2020-10-21","18:00:00",""
"4349010","8.601","0.002","20.178","0.004","25.138","0.005","90","","90","","90","","4362.7","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Compound3b","","","- C46 H48 Gd2 N2 O14 -","- C46 H46 Gd2 N2 O14 -","- C184 H184 Gd8 N8 O56 -","4","0.5","","Mukherjee, Soumya; Lu, Jingjing; Velmurugan, Gunasekaran; Singh, Shweta; Rajaraman, Gopalan; Tang, Jinkui; Ghosh, Sujit K.","Influence of Tuned Linker Functionality on Modulation of Magnetic Properties and Relaxation Dynamics in a Family of Six Isotypic Ln<sub>2</sub> (Ln = Dy and Gd) Complexes.","Inorganic chemistry","2016","55","21","11283","11298","10.1021/acs.inorgchem.6b01863","","","0.71073","MoKα","","0.0663","0.0397","","","0.1041","0.1238","","","","","","0.794","","","","has coordinates","233541","2020-10-21","18:00:00",""
"4349011","18.745","0.006","15.93","0.005","18.388","0.006","90","","119.316","0.007","90","","4788","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound1b","","","- C48 H52 Gd2 N2 O14 -","- C48 H50 Gd2 N2 O14 -","- C192 H200 Gd8 N8 O56 -","4","1","","Mukherjee, Soumya; Lu, Jingjing; Velmurugan, Gunasekaran; Singh, Shweta; Rajaraman, Gopalan; Tang, Jinkui; Ghosh, Sujit K.","Influence of Tuned Linker Functionality on Modulation of Magnetic Properties and Relaxation Dynamics in a Family of Six Isotypic Ln<sub>2</sub> (Ln = Dy and Gd) Complexes.","Inorganic chemistry","2016","55","21","11283","11298","10.1021/acs.inorgchem.6b01863","","","0.71073","MoKα","","0.0576","0.0347","","","0.0652","0.0739","","","","","","1.009","","","","has coordinates","233542","2020-10-21","18:00:00",""
"4349017","8.895","0.004","12.546","0.006","22.112","0.01","90","","93.835","0.01","90","","2462","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound2a","","","- C54 H56 Dy2 N2 O14 -","- C54 H54 Dy2 N2 O14 -","- C108 H108 Dy4 N4 O28 -","2","0.5","","Mukherjee, Soumya; Lu, Jingjing; Velmurugan, Gunasekaran; Singh, Shweta; Rajaraman, Gopalan; Tang, Jinkui; Ghosh, Sujit K.","Influence of Tuned Linker Functionality on Modulation of Magnetic Properties and Relaxation Dynamics in a Family of Six Isotypic Ln<sub>2</sub> (Ln = Dy and Gd) Complexes.","Inorganic chemistry","2016","55","21","11283","11298","10.1021/acs.inorgchem.6b01863","","","0.71073","MoKα","","0.0418","0.0363","","","0.1021","0.1154","","","","","","0.896","","","","has coordinates","233544","2020-10-21","18:00:00",""
"4349020","8.5153","0.0009","17.0101","0.0019","18.034","0.002","74.521","0.002","80.59","0.003","80.393","0.003","2462.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H48 Gd2 N2 O12 -","- C52 H46 Gd2 N2 O12 -","- C104 H92 Gd4 N4 O24 -","2","1","","Mukherjee, Soumya; Lu, Jingjing; Velmurugan, Gunasekaran; Singh, Shweta; Rajaraman, Gopalan; Tang, Jinkui; Ghosh, Sujit K.","Influence of Tuned Linker Functionality on Modulation of Magnetic Properties and Relaxation Dynamics in a Family of Six Isotypic Ln<sub>2</sub> (Ln = Dy and Gd) Complexes.","Inorganic chemistry","2016","55","21","11283","11298","10.1021/acs.inorgchem.6b01863","","","0.71073","MoKα","","0.0712","0.0458","","","0.1531","0.1753","","","","","","1.192","","","","has coordinates","233546","2020-10-21","18:00:00",""
"4349023","8.637","0.0011","14.4827","0.0018","17.3","0.002","90","","101.278","0.002","90","","2122.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 Dy2 N2 O12 -","- C44 H42 Dy2 N2 O12 -","- C88 H84 Dy4 N4 O24 -","2","0.5","","Mukherjee, Soumya; Lu, Jingjing; Velmurugan, Gunasekaran; Singh, Shweta; Rajaraman, Gopalan; Tang, Jinkui; Ghosh, Sujit K.","Influence of Tuned Linker Functionality on Modulation of Magnetic Properties and Relaxation Dynamics in a Family of Six Isotypic Ln<sub>2</sub> (Ln = Dy and Gd) Complexes.","Inorganic chemistry","2016","55","21","11283","11298","10.1021/acs.inorgchem.6b01863","","","0.71073","MoKα","","0.0507","0.0305","","","0.0708","0.0725","","","","","","2.169","","","","has coordinates","233548","2020-10-21","18:00:00",""
"4349027","19.978","0.002","29.28","0.004","18.961","0.002","90","","118.716","0.002","90","","9727.2","1.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H48 Ag4 B48 Cl44 N8 -","- C20 H48 Ag4 B48 Cl44 N8 -","- C80 H192 Ag16 B192 Cl176 N32 -","4","1","","Saleh, Mahmoud; Powell, Douglas R.; Wehmschulte, Rudolf J.","Chlorination of 1-Carba-closo-dodecaborate and 1-Ammonio-closo-dodecaborate Anions.","Inorganic chemistry","2016","55","20","10617","10627","10.1021/acs.inorgchem.6b01867","","","0.71073","MoKα","","0.0302","0.0258","","","0.0607","0.0634","","","","","","0.984","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4349028","19.552","0.002","9.8336","0.0013","27.237","0.004","90","","91.846","0.002","90","","5234","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H19 Al B12 Cl11 N -","- C7 H19 Al B12 Cl11 N -","- C56 H152 Al8 B96 Cl88 N8 -","8","2","","Saleh, Mahmoud; Powell, Douglas R.; Wehmschulte, Rudolf J.","Chlorination of 1-Carba-closo-dodecaborate and 1-Ammonio-closo-dodecaborate Anions.","Inorganic chemistry","2016","55","20","10617","10627","10.1021/acs.inorgchem.6b01867","","","0.71073","MoKα","","0.0947","0.0634","","","0.161","0.1796","","","","","","1.017","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4349029","10.2771","0.0016","17.981","0.003","19.097","0.003","90","","114.651","0.0019","90","","3207.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H45.85 B12 Cl6.15 N2 -","- C17 H45.853 B12 Cl6.147 N2 -","- C68 H183.412 B48 Cl24.588 N8 -","4","1","","Saleh, Mahmoud; Powell, Douglas R.; Wehmschulte, Rudolf J.","Chlorination of 1-Carba-closo-dodecaborate and 1-Ammonio-closo-dodecaborate Anions.","Inorganic chemistry","2016","55","20","10617","10627","10.1021/acs.inorgchem.6b01867","","","0.71073","MoKα","","0.0781","0.0622","","","0.1495","0.1633","","","","","","0.997","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4349033","22.198","0.0014","22.198","0.0013","22.198","0.0013","90","","90","","90","","10938.1","1.1","293","2","293","2","","","","","","","","5","P 4 3 2","P 4 2 3","207","","","","- C28 H18 Cd N4 O4 -","- C28 H18 Cd N4 O4 -","- C336 H216 Cd12 N48 O48 -","12","0.5","","Li, Yu-Ling; Zhao, Yue; Wang, Peng; Kang, Yan-Shang; Liu, Qing; Zhang, Xiu-Du; Sun, Wei-Yin","Multifunctional Metal-Organic Frameworks with Fluorescent Sensing and Selective Adsorption Properties.","Inorganic chemistry","2016","55","22","11821","11830","10.1021/acs.inorgchem.6b01869","","","0.71073","MoKα","","0.0618","0.0416","","","0.0912","0.1024","","","","","","0.824","","","","has coordinates","233552","2020-10-21","18:00:00",""
"4349034","8.945","0.005","14.856","0.005","19.861","0.005","91.644","0.005","101.974","0.005","93.755","0.005","2573.9","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H110 Cd3 N16 O26 -","- C100 H110 Cd3 N16 O26 -","- C100 H110 Cd3 N16 O26 -","1","0.5","","Li, Yu-Ling; Zhao, Yue; Wang, Peng; Kang, Yan-Shang; Liu, Qing; Zhang, Xiu-Du; Sun, Wei-Yin","Multifunctional Metal-Organic Frameworks with Fluorescent Sensing and Selective Adsorption Properties.","Inorganic chemistry","2016","55","22","11821","11830","10.1021/acs.inorgchem.6b01869","","","0.71073","MoKα","","0.0441","0.034","","","0.0917","0.108","","","","","","1.082","","","","has coordinates,has disorder","233552","2020-10-21","18:00:00",""
"4349036","24.182","0.001","38.2416","0.0014","35.4693","0.0019","90","","99.723","0.002","90","","32329","2","90","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C332 H436 Cd2 Dy2 N40 O46 -","- C332 H436 Cd2 Dy2 N40 O46 -","- C1328 H1744 Cd8 Dy8 N160 O184 -","4","0.5","","Horii, Yoji; Katoh, Keiichi; Cosquer, Goulven; Breedlove, Brian K.; Yamashita, Masahiro","Weak Dy<sup>III</sup>-Dy<sup>III</sup> Interactions in Dy<sup>III</sup>-Phthalocyaninato Multiple-Decker Single-Molecule Magnets Effectively Suppress Magnetic Relaxation.","Inorganic chemistry","2016","55","22","11782","11790","10.1021/acs.inorgchem.6b01870","","","0.71073","MoKα","","0.2193","0.1101","","","0.2904","0.3771","","","","","","1.022","","","","has coordinates","233554","2020-10-21","18:00:00",""
"4349039","25.601","0.005","25.899","0.006","29.539","0.006","86.578","0.006","68.741","0.006","89.926","0.007","18216","7","103","","103","","","","","","","","","8","P -1","-P 1","2","","","","- C390 H384 Cd2 Cl9 Dy2 N65 O32 Y2 -","- C390 H386 Cd2 Cl9 Dy2 N65 O32 Y2 -","- C780 H772 Cd4 Cl18 Dy4 N130 O64 Y4 -","2","1","","Horii, Yoji; Katoh, Keiichi; Cosquer, Goulven; Breedlove, Brian K.; Yamashita, Masahiro","Weak Dy<sup>III</sup>-Dy<sup>III</sup> Interactions in Dy<sup>III</sup>-Phthalocyaninato Multiple-Decker Single-Molecule Magnets Effectively Suppress Magnetic Relaxation.","Inorganic chemistry","2016","55","22","11782","11790","10.1021/acs.inorgchem.6b01870","","","0.71075","MoKα","","0.1574","0.1082","","","0.215","0.2483","","","","","","1.131","","","","has coordinates,has disorder","233556","2020-10-21","18:00:00",""
"4349040","12.5255","0.0006","13.5961","0.0005","14.7509","0.0008","90","","95.954","0.004","90","","2498.5","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(2-NO2-4-Me-PyMa)Ni(Mes)Br]","[(2-NO2-4-Me-PyMa)Ni(Mes)Br]","","- C23 H24 Br Cl2 N3 Ni O2 -","- C23 H24 Br Cl2 N3 Ni O2 -","- C92 H96 Br4 Cl8 N12 Ni4 O8 -","4","1","","Biewer, Christian; Hamacher, Claudia; Kaiser, Andre; Vogt, Nicolas; Sandleben, Aaron; Chin, Mason T.; Yu, Siqi; Vicic, David A.; Klein, Axel","Unsymmetrical N-Aryl-1-(pyridin-2-yl)methanimine Ligands in Organonickel(II) Complexes: More Than a Blend of 2,2'-Bipyridine and N,N-Diaryl-α-diimines?","Inorganic chemistry","2016","55","24","12716","12727","10.1021/acs.inorgchem.6b01874","","","0.71073","MoKα","","0.0891","0.0449","","","0.1077","0.1263","","","","","","0.992","","","","has coordinates","233557","2020-10-21","18:00:00",""
"4349041","8.7222","0.001","16.1602","0.0015","15.6064","0.0016","90","","104.66","0.009","90","","2128.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(3,5Me-PyMa)Ni(Mes)Br]","[(3,5Me-PyMa)Ni(Mes)Br]","","- C23 H25 Br N2 Ni -","- C23 H25 Br N2 Ni -","- C92 H100 Br4 N8 Ni4 -","4","1","","Biewer, Christian; Hamacher, Claudia; Kaiser, Andre; Vogt, Nicolas; Sandleben, Aaron; Chin, Mason T.; Yu, Siqi; Vicic, David A.; Klein, Axel","Unsymmetrical N-Aryl-1-(pyridin-2-yl)methanimine Ligands in Organonickel(II) Complexes: More Than a Blend of 2,2'-Bipyridine and N,N-Diaryl-α-diimines?","Inorganic chemistry","2016","55","24","12716","12727","10.1021/acs.inorgchem.6b01874","","","0.71073","MoKα","","0.2544","0.0536","","","0.0772","0.1172","","","","","","0.708","","","","has coordinates","233557","2020-10-21","18:00:00",""
"4349042","8.502","0.0019","15.4514","0.0019","15.738","0.004","90","","97.731","0.019","90","","2048.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[(NO2-PyMa)Ni(Mes)Br]","[(NO2-PyMa)Ni(Mes)Br]","","- C21 H20 Br N3 Ni O2 -","- C21 H20 Br N3 Ni O2 -","- C84 H80 Br4 N12 Ni4 O8 -","4","1","","Biewer, Christian; Hamacher, Claudia; Kaiser, Andre; Vogt, Nicolas; Sandleben, Aaron; Chin, Mason T.; Yu, Siqi; Vicic, David A.; Klein, Axel","Unsymmetrical N-Aryl-1-(pyridin-2-yl)methanimine Ligands in Organonickel(II) Complexes: More Than a Blend of 2,2'-Bipyridine and N,N-Diaryl-α-diimines?","Inorganic chemistry","2016","55","24","12716","12727","10.1021/acs.inorgchem.6b01874","","","0.71073","MoKα","","0.1714","0.0454","","","0.0606","0.0822","","","","","","0.766","","","","has coordinates","233557","2020-10-21","18:00:00",""
"4349043","11.7586","0.001","13.383","0.0011","15.4157","0.0012","82.802","0.006","68.13","0.006","78.74","0.007","2204.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[(2-CF3-PyMa)Ni(Mes)Br]","[(2-CF3-PyMa)Ni(Mes)Br]","","- C22 H20 Br F3 N2 Ni -","- C22 H20 Br F3 N2 Ni -","- C88 H80 Br4 F12 N8 Ni4 -","4","2","","Biewer, Christian; Hamacher, Claudia; Kaiser, Andre; Vogt, Nicolas; Sandleben, Aaron; Chin, Mason T.; Yu, Siqi; Vicic, David A.; Klein, Axel","Unsymmetrical N-Aryl-1-(pyridin-2-yl)methanimine Ligands in Organonickel(II) Complexes: More Than a Blend of 2,2'-Bipyridine and N,N-Diaryl-α-diimines?","Inorganic chemistry","2016","55","24","12716","12727","10.1021/acs.inorgchem.6b01874","","","0.71073","MoKα","","0.2666","0.0463","","","0.0531","0.0892","","","","","","0.745","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4349044","23.189","0.003","23.189","0.003","20.121","0.002","90","","90","","120","","9370","2","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","[(PyMa)Ni(Mes)Cl]","","","- C21 H21 Cl N2 Ni -","- C21 H21 Cl N2 Ni -","- C378 H378 Cl18 N36 Ni18 -","18","1","","Biewer, Christian; Hamacher, Claudia; Kaiser, Andre; Vogt, Nicolas; Sandleben, Aaron; Chin, Mason T.; Yu, Siqi; Vicic, David A.; Klein, Axel","Unsymmetrical N-Aryl-1-(pyridin-2-yl)methanimine Ligands in Organonickel(II) Complexes: More Than a Blend of 2,2'-Bipyridine and N,N-Diaryl-α-diimines?","Inorganic chemistry","2016","55","24","12716","12727","10.1021/acs.inorgchem.6b01874","","","0.71073","MoKα","","0.2137","0.0704","","","0.1602","0.1937","","","","","","0.73","","","","has coordinates","233557","2020-10-21","18:00:00",""
"4349045","38.624","0.009","8.1059","0.001","15.397","0.003","90","","109.34","","90","","4548.5","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[(MesPyMA)Ni(Mes)Br]","","","- C24 H27 Br N2 Ni -","- C24 H27 Br N2 Ni -","- C192 H216 Br8 N16 Ni8 -","8","1","","Biewer, Christian; Hamacher, Claudia; Kaiser, Andre; Vogt, Nicolas; Sandleben, Aaron; Chin, Mason T.; Yu, Siqi; Vicic, David A.; Klein, Axel","Unsymmetrical N-Aryl-1-(pyridin-2-yl)methanimine Ligands in Organonickel(II) Complexes: More Than a Blend of 2,2'-Bipyridine and N,N-Diaryl-α-diimines?","Inorganic chemistry","2016","55","24","12716","12727","10.1021/acs.inorgchem.6b01874","","","0.71073","MoKα","","0.2145","0.0819","","","0.1518","0.2011","","","","","","0.978","","","","has coordinates","233557","2020-10-21","18:00:00",""
"4349046","15.8287","0.0007","8.0192","0.0002","15.2124","0.0006","90","","93.851","0.004","90","","1926.6","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(PyMA)Ni(Mes)Br]","[(N-(Pyridin-2-yl-methylen)anilin)Nickel(mesityl)bromid]","","- C21 H21 Br N2 Ni -","- C21 H21 Br N2 Ni -","- C84 H84 Br4 N8 Ni4 -","4","1","","Biewer, Christian; Hamacher, Claudia; Kaiser, Andre; Vogt, Nicolas; Sandleben, Aaron; Chin, Mason T.; Yu, Siqi; Vicic, David A.; Klein, Axel","Unsymmetrical N-Aryl-1-(pyridin-2-yl)methanimine Ligands in Organonickel(II) Complexes: More Than a Blend of 2,2'-Bipyridine and N,N-Diaryl-α-diimines?","Inorganic chemistry","2016","55","24","12716","12727","10.1021/acs.inorgchem.6b01874","","","0.71073","MoKα","","0.0568","0.0441","","","0.1213","0.1308","","","","","","1.033","","","","has coordinates","233557","2020-10-21","18:00:00",""
"4349047","10.8322","0.001","15.9854","0.001","14.4541","0.0007","90","","90.793","0.004","90","","2502.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(i-Pr-PyMa)Ni(Mes)Br]","","","- C27 H33 Br N2 Ni -","- C27 H33 Br N2 Ni -","- C108 H132 Br4 N8 Ni4 -","4","1","","Biewer, Christian; Hamacher, Claudia; Kaiser, Andre; Vogt, Nicolas; Sandleben, Aaron; Chin, Mason T.; Yu, Siqi; Vicic, David A.; Klein, Axel","Unsymmetrical N-Aryl-1-(pyridin-2-yl)methanimine Ligands in Organonickel(II) Complexes: More Than a Blend of 2,2'-Bipyridine and N,N-Diaryl-α-diimines?","Inorganic chemistry","2016","55","24","12716","12727","10.1021/acs.inorgchem.6b01874","","","0.71073","MoKα","","0.1046","0.0563","","","0.1279","0.1458","","","","","","0.966","","","","has coordinates","233557","2020-10-21","18:00:00",""
"4349048","3.8588","0.0006","20.329","0.003","13.632","0.002","90","","89.554","0.014","90","","1069.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4NO2-PyMA","","","- C12 H9 N3 O2 -","- C12 H9 N3 O2 -","- C48 H36 N12 O8 -","4","1","","Biewer, Christian; Hamacher, Claudia; Kaiser, Andre; Vogt, Nicolas; Sandleben, Aaron; Chin, Mason T.; Yu, Siqi; Vicic, David A.; Klein, Axel","Unsymmetrical N-Aryl-1-(pyridin-2-yl)methanimine Ligands in Organonickel(II) Complexes: More Than a Blend of 2,2'-Bipyridine and N,N-Diaryl-α-diimines?","Inorganic chemistry","2016","55","24","12716","12727","10.1021/acs.inorgchem.6b01874","","","1.54184","CuKα","","0.1723","0.1282","","","0.3013","0.3831","","","","","","1.212","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349059","12.067","0.009","13.342","0.01","19.291","0.013","90","","91.002","0.009","90","","3105","4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Eu N7 O10 -","- C29 H30 Eu N7 O10 -","- C116 H120 Eu4 N28 O40 -","4","1","","Wen, Guo-Xuan; Wu, Ya-Pan; Dong, Wen-Wen; Zhao, Jun; Li, Dong-Sheng; Zhang, Jian","An Ultrastable Europium(III)-Organic Framework with the Capacity of Discriminating Fe<sup>2+</sup>/Fe<sup>3+</sup> Ions in Various Solutions.","Inorganic chemistry","2016","55","20","10114","10117","10.1021/acs.inorgchem.6b01876","","","0.71073","MoKα","","0.0393","0.0338","","","0.0902","0.108","","","","","","1.06","","","","has coordinates","233559","2020-10-21","18:00:00",""
"4349060","17.148","0.0016","19.0085","0.0018","24.8846","0.0019","90","","104.825","0.002","90","","7841.3","1.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cl6 Cu2 Mo3 N6 S4 -","- C54 H70.2 Cl6 Cu2 Mo3 N6 S4 -","- C216 H280.8 Cl24 Cu8 Mo12 N24 S16 -","4","1","","Pino-Chamorro, Jose Ángel; Laricheva, Yuliya A.; Guillamón, Eva; Fernández-Trujillo, M Jesús; Algarra, Andrés G; Gushchin, Artem L.; Abramov, Pavel A.; Bustelo, Emilio; Llusar, Rosa; Sokolov, Maxim N.; Basallote, Manuel G.","Kinetics Aspects of the Reversible Assembly of Copper in Heterometallic Mo<sub>3</sub>CuS<sub>4</sub> Clusters with 4,4'-Di-tert-butyl-2,2'-bipyridine.","Inorganic chemistry","2016","55","19","9912","9922","10.1021/acs.inorgchem.6b01878","","","0.71073","MoKα","","0.0999","0.0597","","","0.1778","0.2018","","","","","","1.055","","","","has coordinates,has disorder","233560","2020-10-21","18:00:00",""
"4349065","7.5587","0.0005","10.947","0.0007","23.1518","0.0014","90","","90","","90","","1915.7","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Cl Cu N6 O3 -","- C19 H17 Cl Cu N6 O3 -","- C76 H68 Cl4 Cu4 N24 O12 -","4","1","","Leite, Sílvia M G; Lima, Luís M P; Gama, Sofia; Mendes, Filipa; Orio, Maylis; Bento, Isabel; Paulo, António; Delgado, Rita; Iranzo, Olga","Copper(II) Complexes of Phenanthroline and Histidine Containing Ligands: Synthesis, Characterization and Evaluation of their DNA Cleavage and Cytotoxic Activity.","Inorganic chemistry","2016","55","22","11801","11814","10.1021/acs.inorgchem.6b01884","","","0.71073","MoKα","","0.0705","0.0456","","","0.0878","0.0998","","","","","","0.804","","","","has coordinates","233562","2020-10-21","18:00:00",""
"4349066","7.0381","0.0005","10.7231","0.0008","26.0409","0.0016","90","","90","","90","","1965.3","0.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Cl Cu N5 Na0.25 O5 -","- C19 H17 Cl Cu N5 Na0.25 O5 -","- C76 H68 Cl4 Cu4 N20 Na O20 -","4","1","","Leite, Sílvia M G; Lima, Luís M P; Gama, Sofia; Mendes, Filipa; Orio, Maylis; Bento, Isabel; Paulo, António; Delgado, Rita; Iranzo, Olga","Copper(II) Complexes of Phenanthroline and Histidine Containing Ligands: Synthesis, Characterization and Evaluation of their DNA Cleavage and Cytotoxic Activity.","Inorganic chemistry","2016","55","22","11801","11814","10.1021/acs.inorgchem.6b01884","","","0.71073","MoKα","","0.0603","0.0496","","","0.1256","0.1307","","","","","","1.045","","","","has coordinates","233563","2020-10-21","18:00:00",""
"4349071","8.9718","0.0009","9.6613","0.0009","11.592","0.0011","84.535","0.002","82.185","0.002","84.936","0.002","988.03","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","Pt2(tfepma)2br2","","- C18 H22 Br2 F24 N2 O8 P4 Pt2 -","- C18 H22 Br2 F24 N2 O8 P4 Pt2 -","- C18 H22 Br2 F24 N2 O8 P4 Pt2 -","1","0.5","","Powers, David C.; Hwang, Seung Jun; Anderson, Bryce L.; Yang, Haifeng; Zheng, Shao-Liang; Chen, Yu-Sheng; Cook, Timothy R.; Gabbaï, François P; Nocera, Daniel G.","Stereoelectronic Effects in Cl<sub>2</sub> Elimination from Binuclear Pt(III) Complexes.","Inorganic chemistry","2016","55","22","11815","11820","10.1021/acs.inorgchem.6b01887","","","0.71073","MoKα","","0.0413","0.0342","","","0.0908","0.0965","","","","","","1.052","","","","has coordinates,has disorder","233565","2020-10-21","18:00:00",""
"4349072","15.145","0.006","16.901","0.007","17.884","0.007","86.26","0.02","79.48","0.013","70.831","0.012","4251","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","Pt2(tfepma)2br4","","- C18 H22 Br4 F24 N2 O8 P4 Pt2 -","- C18 H22 Br4 F24 N2 O8 P4 Pt2 -","- C72 H88 Br16 F96 N8 O32 P16 Pt8 -","4","2","","Powers, David C.; Hwang, Seung Jun; Anderson, Bryce L.; Yang, Haifeng; Zheng, Shao-Liang; Chen, Yu-Sheng; Cook, Timothy R.; Gabbaï, François P; Nocera, Daniel G.","Stereoelectronic Effects in Cl<sub>2</sub> Elimination from Binuclear Pt(III) Complexes.","Inorganic chemistry","2016","55","22","11815","11820","10.1021/acs.inorgchem.6b01887","","","0.71073","MoKα","","0.0475","0.0352","","","0.0866","0.0938","","","","","","1.032","","","","has coordinates,has disorder","233565","2020-10-21","18:00:00",""
"4349075","25.193","0.005","15.091","0.003","19.402","0.004","90","","93.521","0.005","90","","7362","3","123","2","123","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Sc2O@C78/NiOEP/0.20(bz)0.30(CF)","","","- C115.5 H45.5 Cl0.9 N4 Ni O Sc2 -","- C116.96 H46.96 Cl1.824 N4 Ni O Sc1.996 -","- C467.84 H187.84 Cl7.296 N16 Ni4 O4 Sc7.984 -","4","0.5","","Hao, Yajuan; Tang, Qiangqiang; Li, Xiaohong; Zhang, Meirong; Wan, Yingbo; Feng, Lai; Chen, Ning; Slanina, Zdeněk; Adamowicz, Ludwik; Uhlík, Filip","Isomeric Sc<sub>2</sub>O@C<sub>78</sub> Related by a Single-Step Stone-Wales Transformation: Key Links in an Unprecedented Fullerene Formation Pathway.","Inorganic chemistry","2016","55","21","11354","11361","10.1021/acs.inorgchem.6b01894","","","0.71073","MoKα","","0.0772","0.073","","","0.2016","0.206","","","","","","0.955","","","","has coordinates,has disorder","233567","2020-10-21","18:00:00",""
"4349077","25.2588","0.0008","14.9157","0.0005","19.5163","0.0006","90","","92.305","0.001","90","","7346.9","0.4","90","2","90","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Sc2O@C78/NiOEP/0.95(bz)0.05(CF)","","","- C119.75 H49.75 Cl0.25 N4 Ni O Sc2 -","- C119.792 H49.792 Cl0.26 N4 Ni O Sc1.994 -","- C479.168 H199.168 Cl1.04 N16 Ni4 O4 Sc7.976 -","4","0.5","","Hao, Yajuan; Tang, Qiangqiang; Li, Xiaohong; Zhang, Meirong; Wan, Yingbo; Feng, Lai; Chen, Ning; Slanina, Zdeněk; Adamowicz, Ludwik; Uhlík, Filip","Isomeric Sc<sub>2</sub>O@C<sub>78</sub> Related by a Single-Step Stone-Wales Transformation: Key Links in an Unprecedented Fullerene Formation Pathway.","Inorganic chemistry","2016","55","21","11354","11361","10.1021/acs.inorgchem.6b01894","","","0.71073","MoKα","","0.143","0.0905","","","0.1912","0.2173","","","","","","1.085","","","","has coordinates,has disorder","233569","2020-10-21","18:00:00",""
"4349080","13.729","0.005","22.176","0.005","14.273","0.005","90","0.005","115.556","0.005","90","0.005","3920","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 Br2 Cl N4 Ni2 O11 -","- C33 H50 Br2 Cl N4 Ni2 O11 -","- C132 H200 Br8 Cl4 N16 Ni8 O44 -","4","1","","Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabindranath","A Bioinspired Dinickel(II) Hydrolase: Solvent Vapor-Induced Hydrolysis of Carboxyesters under Ambient Conditions.","Inorganic chemistry","2016","55","24","12696","12706","10.1021/acs.inorgchem.6b01895","","","0.71073","MoKα","","0.0478","0.0403","","","0.095","0.0996","","","","","","1.037","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349081","11.2988","0.0006","13.0277","0.0007","16.8757","0.0009","73.703","0.002","75.056","0.001","82.898","0.001","2300.1","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H112 Br4 Cl2 N8 Ni5 O28 -","- C78 H112 Br4 Cl2 N8 Ni5 O28 -","- C78 H112 Br4 Cl2 N8 Ni5 O28 -","1","0.5","","Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabindranath","A Bioinspired Dinickel(II) Hydrolase: Solvent Vapor-Induced Hydrolysis of Carboxyesters under Ambient Conditions.","Inorganic chemistry","2016","55","24","12696","12706","10.1021/acs.inorgchem.6b01895","","","0.71073","MoKα","","0.0692","0.0442","","","0.1024","0.1129","","","","","","1.033","","","","has coordinates","286259","2023-09-07","06:04:50",""
"4349082","13.285","0.005","13.525","0.005","14.356","0.005","65.18","0.005","68.413","0.005","78.514","0.005","2173.9","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H47 Br2 Cl N4 Ni2 O11 -","- C33 H47 Br2 Cl N4 Ni2 O11 -","- C66 H94 Br4 Cl2 N8 Ni4 O22 -","2","1","","Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabindranath","A Bioinspired Dinickel(II) Hydrolase: Solvent Vapor-Induced Hydrolysis of Carboxyesters under Ambient Conditions.","Inorganic chemistry","2016","55","24","12696","12706","10.1021/acs.inorgchem.6b01895","","","0.71073","MoKα","","0.0511","0.0392","","","0.1019","0.1066","","","","","","1.056","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349083","18.464","0.003","18.464","0.003","28.985","0.007","90","","90","","120","","8558","3","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C35 H47 Br2 Cl0 N4 Ni2 O7 -","- C35 H47 Br2 N4 Ni2 O7 -","- C210 H282 Br12 N24 Ni12 O42 -","6","1","","Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabindranath","A Bioinspired Dinickel(II) Hydrolase: Solvent Vapor-Induced Hydrolysis of Carboxyesters under Ambient Conditions.","Inorganic chemistry","2016","55","24","12696","12706","10.1021/acs.inorgchem.6b01895","","","0.71073","MoKα","","0.1371","0.0849","","","0.2079","0.235","","","","","","0.871","","","","has coordinates","233571","2020-10-21","18:00:00",""
"4349084","11.691","0.005","16.065","0.005","21.41","0.005","90","0.005","90.752","0.005","90","0.005","4021","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H49 Br2 Cl N4 Ni2 O11 -","- C34 H49 Br2 Cl N4 Ni2 O11 -","- C136 H196 Br8 Cl4 N16 Ni8 O44 -","4","1","","Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabindranath","A Bioinspired Dinickel(II) Hydrolase: Solvent Vapor-Induced Hydrolysis of Carboxyesters under Ambient Conditions.","Inorganic chemistry","2016","55","24","12696","12706","10.1021/acs.inorgchem.6b01895","","","0.71073","MoKα","","0.1602","0.0577","","","0.1202","0.1522","","","","","","0.975","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349087","16.1016","0.0004","16.1016","0.0004","29.1535","0.001","90","","90","","120","","6545.7","0.3","180","","180","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H34 Eu N9 Na3 O15.5 -","- C36 H9 Eu N9 Na3 O15.51 -","- C216 H54 Eu6 N54 Na18 O93.06 -","6","0.333333","","Wei, Chen; Wei, Huibo; Yan, Weibo; Zhao, Zifeng; Cai, Zelun; Sun, Boxun; Meng, Zhaosha; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","Water-Soluble and Highly Luminescent Europium(III) Complexes with Favorable Photostability and Sensitive pH Response Behavior.","Inorganic chemistry","2016","55","20","10645","10653","10.1021/acs.inorgchem.6b01897","","","0.71073","MoKα","","0.0543","0.0459","","","0.1218","0.1287","","","","","","1.077","","","","has coordinates","233573","2020-10-21","18:00:00",""
"4349090","12.7243","0.0014","13.294","0.0015","28.598","0.003","90","","90","","90","","4837.5","0.9","296","2","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H12 Dy N O11 -","- C15 H12 Dy N O11 -","- C120 H96 Dy8 N8 O88 -","8","1","","Gao, Rui-Cheng; Guo, Fu-Sheng; Bai, Nan-Nan; Wu, Yun-Long; Yang, Fan; Liang, Ji-Ye; Li, Zhen-Jing; Wang, Yao-Yu","Two 3D Isostructural Ln(III)-MOFs: Displaying the Slow Magnetic Relaxation and Luminescence Properties in Detection of Nitrobenzene and Cr<sub>2</sub>O<sub>7</sub><sup>2</sup>.","Inorganic chemistry","2016","55","21","11323","11330","10.1021/acs.inorgchem.6b01899","","","0.71073","MoKα","","0.0644","0.0616","","","0.1491","0.15","","","","","","1.178","","","","has coordinates","233575","2020-10-21","18:00:00",""
"4349091","12.78","0.002","13.358","0.003","28.668","0.005","90","","90","","90","","4894.1","1.6","296","2","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H12 Eu N O11 -","- C15 H12 Eu N O11 -","- C120 H96 Eu8 N8 O88 -","8","1","","Gao, Rui-Cheng; Guo, Fu-Sheng; Bai, Nan-Nan; Wu, Yun-Long; Yang, Fan; Liang, Ji-Ye; Li, Zhen-Jing; Wang, Yao-Yu","Two 3D Isostructural Ln(III)-MOFs: Displaying the Slow Magnetic Relaxation and Luminescence Properties in Detection of Nitrobenzene and Cr<sub>2</sub>O<sub>7</sub><sup>2</sup>.","Inorganic chemistry","2016","55","21","11323","11330","10.1021/acs.inorgchem.6b01899","","","0.71073","MoKα","","0.065","0.0537","","","0.1385","0.142","","","","","","1.095","","","","has coordinates","233575","2020-10-21","18:00:00",""
"4349096","11.227","0.004","14.518","0.004","35.949","0.009","88.46","0.02","85.33","0.02","86.8","0.02","5829","3","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C133 H128 Al2 Ba O12 Si4 -","- C133 H128 Al2 Ba O12 Si4 -","- C266 H256 Al4 Ba2 O24 Si8 -","2","1","","Drąg-Jarząbek, Anna; Petrus, Rafał; Sobota, Piotr","Synthesis of Aluminosilicates Containing a Ba(Sr)-O-Al-O-Si Arrangement of Natural Feldspar Mineral.","Inorganic chemistry","2016","55","19","9524","9527","10.1021/acs.inorgchem.6b01900","","","0.71073","MoKα","","0.0943","0.0595","","","0.1111","0.125","","","","","","1.016","","","","has coordinates,has disorder","233577","2020-10-21","18:00:00",""
"4349097","14.358","0.003","19.094","0.004","24.064","0.005","107.66","0.02","99.64","0.03","100.12","0.02","6015","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C131.5 H137 Al2 Ba Cl O15 Si4 -","- C131.5 H137 Al2 Ba Cl O15 Si4 -","- C263 H274 Al4 Ba2 Cl2 O30 Si8 -","2","1","","Drąg-Jarząbek, Anna; Petrus, Rafał; Sobota, Piotr","Synthesis of Aluminosilicates Containing a Ba(Sr)-O-Al-O-Si Arrangement of Natural Feldspar Mineral.","Inorganic chemistry","2016","55","19","9524","9527","10.1021/acs.inorgchem.6b01900","","","0.71073","MoKα","","0.0918","0.0609","","","0.1463","0.1604","","","","","","0.947","","","","has coordinates,has disorder","233577","2020-10-21","18:00:00",""
"4349098","21.742","0.002","26.897","0.002","21.048","0.002","90","","118.7","0.02","90","","10797","3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H120 Al2 O14 Si4 Sr -","- C120 H120 Al2 O14 Si4 Sr -","- C480 H480 Al8 O56 Si16 Sr4 -","4","0.5","","Drąg-Jarząbek, Anna; Petrus, Rafał; Sobota, Piotr","Synthesis of Aluminosilicates Containing a Ba(Sr)-O-Al-O-Si Arrangement of Natural Feldspar Mineral.","Inorganic chemistry","2016","55","19","9524","9527","10.1021/acs.inorgchem.6b01900","","","0.71073","MoKα","","0.1608","0.0785","","","0.1184","0.1485","","","","","","1.031","","","","has coordinates,has disorder","233577","2020-10-21","18:00:00",""
"4349099","14.415","0.003","19.832","0.005","19.862","0.006","104.31","0.02","110.02","0.02","95.77","0.02","5061","2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H152 Al2 Ba O24 Si4 -","- C88 H152 Al2 Ba O24 Si4 -","- C176 H304 Al4 Ba2 O48 Si8 -","2","1","","Drąg-Jarząbek, Anna; Petrus, Rafał; Sobota, Piotr","Synthesis of Aluminosilicates Containing a Ba(Sr)-O-Al-O-Si Arrangement of Natural Feldspar Mineral.","Inorganic chemistry","2016","55","19","9524","9527","10.1021/acs.inorgchem.6b01900","","","0.71073","MoKα","","0.1114","0.0628","","","0.0983","0.115","","","","","","1.01","","","","has coordinates,has disorder","233577","2020-10-21","18:00:00",""
"4349104","7.2842","0.0002","6.9449","0.0002","14.4255","0.0005","90","","90","","90","","729.76","0.04","200","1","200","1","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H6 F2 Fe N8 Ni -","- C12 H6 F2 Fe N8 Ni -","- C24 H12 F4 Fe2 N16 Ni2 -","2","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71073","MoKα","","0.0551","0.0482","","","0.1022","0.1069","","","","","","0.97","","","","has coordinates","233580","2020-10-21","18:00:00",""
"4349105","7.2572","0.0003","6.9861","0.0003","14.9922","0.0006","90","","90","","90","","760.1","0.05","120","1","120","1","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H6 F2 Fe N8 Pt -","- C12 H6 F2 Fe N8 Pt -","- C24 H12 F4 Fe2 N16 Pt2 -","2","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71073","MoKα","","0.0318","0.02","","","0.0449","0.0509","","","","","","0.951","","","","has coordinates","233581","2020-10-21","18:00:00",""
"4349112","7.2563","0.0003","10.1992","0.0005","17.8959","0.0007","90","","90","","90","","1324.45","0.1","250","1","250","1","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H3 Au2 F Fe N6 -","- C8 Au2 F Fe N6 -","- C32 Au8 F4 Fe4 N24 -","4","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71073","MoKα","","0.0439","0.0301","","","0.0689","0.079","","","","","","1.005","","","","has coordinates","233583","2020-10-21","18:00:00",""
"4349113","7.4534","0.0004","7.1275","0.0004","15.0455","0.001","90","","90","","90","","799.28","0.08","200","1","200","1","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H6 F2 Fe N8 Pt -","- C12 H6 F2 Fe N8 Pt -","- C24 H12 F4 Fe2 N16 Pt2 -","2","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71073","MoKα","","0.0319","0.0242","","","0.0459","0.0493","","","","","","1.088","","","","has coordinates","233585","2020-10-21","18:00:00",""
"4349114","7.4526","0.0005","7.1125","0.0004","14.777","0.0011","90","","90","","90","","783.28","0.09","200","1","200","1","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H6 F2 Fe N8 Pd -","- C12 H6 F2 Fe N8 Pd -","- C24 H12 F4 Fe2 N16 Pd2 -","2","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71073","MoKα","","0.0496","0.0349","","","0.0533","0.0578","","","","","","1.178","","","","has coordinates","233587","2020-10-21","18:00:00",""
"4349115","7.2782","0.0003","7.5613","0.0002","7.482","0.0004","90","","101.494","0.005","90","","403.5","0.03","120","1","120","1","","","","","","","","7","P 1 2/m 1","-P 2y","10","","","","- C8 H3 F Fe N6 O0.5 Pt -","- C8 H2 F Fe N6 O0.5 Pt -","- C8 H2 F Fe N6 O0.5 Pt -","1","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71069","MoKα","","0.0421","0.0406","","","0.098","0.0993","","","","","","0.985","","","","has coordinates","233588","2020-10-21","18:00:00",""
"4349116","7.1107","0.001","10.1715","0.0013","17.657","0.002","90","","90","","90","","1277.1","0.3","120","1","120","1","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H3 Au2 F Fe N6 -","- C8 Au2 F Fe N6 -","- C32 Au8 F4 Fe4 N24 -","4","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71073","MoKα","","0.0825","0.0516","","","0.0908","0.1097","","","","","","0.885","","","","has coordinates","233590","2020-10-21","18:00:00",""
"4349117","7.2646","0.0002","6.9726","0.0003","14.7703","0.0005","90","","90","","90","","748.16","0.05","98.5","0.3","98.5","0.3","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H6 F2 Fe N8 Pd -","- C12 H6 F2 Fe N8 Pd -","- C24 H12 F4 Fe2 N16 Pd2 -","2","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71073","MoKα","","0.0564","0.0346","","","0.0591","0.0683","","","","","","0.975","","","","has coordinates","233592","2020-10-21","18:00:00",""
"4349118","10.6906","0.0005","21.0234","0.0014","19.7359","0.0012","90","","101.948","0.006","90","","4339.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Bi2 Cl10 N10 O6 -","- C24 H22 Bi2 Cl10 N10 O6 -","- C96 H88 Bi8 Cl40 N40 O24 -","4","1","","Li, Guoping; Hao, Pengfei; Shen, Junju; Yu, Tanlai; Li, Huihui; Fu, Yunlong","Bipyridyltriazolium Chlorobismuthate with Thermo-/Photochromic and Photoluminescent Switching Behaviors Based on ET and CT<sup>†</sup>.","Inorganic chemistry","2016","55","21","11342","11347","10.1021/acs.inorgchem.6b01906","","","0.71073","MoKα","","0.064","0.0383","","","0.0667","0.0752","","","","","","1.049","","","","has coordinates","233595","2020-10-21","18:00:00",""
"4349119","27.0011","0.0005","31.0554","0.0006","23.9147","0.0005","90","","112.705","0.001","90","","18499.2","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C127 H204 Cu29 N60 O37 S -","- C127 H183 Cu29 N60 O37 S -","- C508 H732 Cu116 N240 O148 S4 -","4","0.5","","Ahmed, Basil M.; Hartman, Christian K.; Mezei, Gellert","Sulfate-Incarcerating Nanojars: Solution and Solid-State Studies, Sulfate Extraction from Water, and Anion Exchange with Carbonate.","Inorganic chemistry","2016","55","20","10666","10679","10.1021/acs.inorgchem.6b01909","","","0.71073","MoKα","","0.0815","0.0449","","","0.1099","0.1311","","","","","","1.028","","","","has coordinates,has disorder","233597","2020-10-21","18:00:00",""
"4349120","7.2636","0.0001","21.4895","0.0003","16.7111","0.0003","90","","91.779","0.001","90","","2607.2","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 Br2 Cr2 N2 O6 -","- C16 H40 Br2 Cr2 N2 O6 -","- C64 H160 Br8 Cr8 N8 O24 -","4","1","","Sun, Yu-Zhi; Huang, Bo; Xu, Wei-Jian; Zhou, Dong-Dong; Chen, Shao-Li; Zhang, Shi-Yong; Du, Zi-Yi; Xie, Yong-Rong; He, Chun-Ting; Zhang, Wei-Xiong; Chen, Xiao-Ming","Plastic Crystals with Polar Halochromate Anion: Thermosensitive Dielectrics Based upon Plastic Transition and Dipole Rotation.","Inorganic chemistry","2016","55","21","11418","11425","10.1021/acs.inorgchem.6b01911","","","0.71073","MoKα","","0.1201","0.0457","","","0.0804","0.1004","","","","","","0.95","","","","has coordinates,has disorder","233599","2020-10-21","18:00:00",""
"4349121","11.9438","0.0005","7.9537","0.0004","14.4822","0.0006","90","","114.148","0.001","90","","1255.38","0.1","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H20 Cl Cr N O3 -","- C8 H20 Cl Cr N O3 -","- C32 H80 Cl4 Cr4 N4 O12 -","4","1","","Sun, Yu-Zhi; Huang, Bo; Xu, Wei-Jian; Zhou, Dong-Dong; Chen, Shao-Li; Zhang, Shi-Yong; Du, Zi-Yi; Xie, Yong-Rong; He, Chun-Ting; Zhang, Wei-Xiong; Chen, Xiao-Ming","Plastic Crystals with Polar Halochromate Anion: Thermosensitive Dielectrics Based upon Plastic Transition and Dipole Rotation.","Inorganic chemistry","2016","55","21","11418","11425","10.1021/acs.inorgchem.6b01911","","","0.71073","MoKα","","0.0337","0.0322","","","0.0928","0.0949","","","","","","1.003","","","","has coordinates","233601","2020-10-21","18:00:00",""
"4349123","14.299","0.002","16.325","0.002","9.5574","0.0007","90","","100.729","0.01","90","","2192","0.4","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7.93 H8.93 N1.25 O3.09 Zn0.5 -","- C6.76 H2.34 N O2.84 Zn0.5 -","- C54.08 H18.72 N8 O22.72 Zn4 -","8","1","","Gee, William J.; Cadman, Laura K.; Amer Hamzah, Harina; Mahon, Mary F.; Raithby, Paul R.; Burrows, Andrew D.","Furnishing Amine-Functionalized Metal-Organic Frameworks with the β-Amidoketone Group by Postsynthetic Modification.","Inorganic chemistry","2016","55","21","10839","10842","10.1021/acs.inorgchem.6b01917","","x-ray","0.71073","MoKα","","0.0836","0.0734","","","0.2111","0.2206","","","","","","1.09","","","","has coordinates,has disorder","233605","2020-10-21","18:00:00",""
"4349124","13.9532","0.0006","16.6496","0.0005","9.5586","0.0003","90","","100.526","0.003","90","","2183.24","0.14","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7.13 H7.88 N O2.69 Zn0.5 -","- C6.16 H1.25 N0.75 O2.44 Zn0.5 -","- C49.28 H10 N6 O19.52 Zn4 -","8","1","","Gee, William J.; Cadman, Laura K.; Amer Hamzah, Harina; Mahon, Mary F.; Raithby, Paul R.; Burrows, Andrew D.","Furnishing Amine-Functionalized Metal-Organic Frameworks with the β-Amidoketone Group by Postsynthetic Modification.","Inorganic chemistry","2016","55","21","10839","10842","10.1021/acs.inorgchem.6b01917","","x-ray","1.54184","CuKα","","0.092","0.089","","","0.2401","0.2445","","","","","","1.089","","","","has coordinates,has disorder","233605","2020-10-21","18:00:00",""
"4349125","28.0724","0.0002","14.00074","0.00009","44.7159","0.0003","90","","90","","90","","17574.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H60 Cl12 I6 N13 O9 Zn3 -","- C56 H35 I6 N13 O Zn3 -","- C448 H280 I48 N104 O8 Zn24 -","8","1","","Gee, William J.; Cadman, Laura K.; Amer Hamzah, Harina; Mahon, Mary F.; Raithby, Paul R.; Burrows, Andrew D.","Furnishing Amine-Functionalized Metal-Organic Frameworks with the β-Amidoketone Group by Postsynthetic Modification.","Inorganic chemistry","2016","55","21","10839","10842","10.1021/acs.inorgchem.6b01917","","x-ray","1.54184","CuKα","","0.0743","0.0595","","","0.1739","0.1889","","","","","","1.041","","","","has coordinates,has disorder","233605","2020-10-21","18:00:00",""
"4349126","9.6565","0.0005","10.4953","0.0006","15.7123","0.0009","90.569","0.004","102.965","0.004","101.38","0.004","1518.85","0.15","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H39 Mo2 O2 P S2 -","- C31 H39 Mo2 O2 P S2 -","- C62 H78 Mo4 O4 P2 S4 -","2","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; Amor, Inmaculada; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Cycloaddition Reactions of the Phosphinidene-Bridged Complex [Mo<sub>2</sub>Cp(μ-κ<sup>1</sup>:κ<sup>1</sup>,η<sup>5</sup>-PC<sub>5</sub>H<sub>4</sub>)(CO)<sub>2</sub>(η<sup>6</sup>-HMes*)] with Diazoalkanes and Other Heterocumulenes.","Inorganic chemistry","2016","55","20","10680","10691","10.1021/acs.inorgchem.6b01930","","x-ray","0.71073","MoKα","","0.0378","0.0275","","","0.0551","0.0599","","","","","","1.041","","","","has coordinates","233609","2020-10-21","18:00:00",""
"4349127","10.5874","0.0006","11.1625","0.0007","15.7439","0.0009","95.834","0.005","106.289","0.005","95.765","0.005","1760.43","0.19","153","1","153","1","","","","","","","","7","P -1","-P 1","2","","","","- C37 H44 Mo2 N O2 P S -","- C37 H44 Mo2 N O2 P S -","- C74 H88 Mo4 N2 O4 P2 S2 -","2","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; Amor, Inmaculada; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Cycloaddition Reactions of the Phosphinidene-Bridged Complex [Mo<sub>2</sub>Cp(μ-κ<sup>1</sup>:κ<sup>1</sup>,η<sup>5</sup>-PC<sub>5</sub>H<sub>4</sub>)(CO)<sub>2</sub>(η<sup>6</sup>-HMes*)] with Diazoalkanes and Other Heterocumulenes.","Inorganic chemistry","2016","55","20","10680","10691","10.1021/acs.inorgchem.6b01930","","x-ray","1.54184","CuKα","","0.0379","0.0345","","","0.0893","0.093","","","","","","1.015","","","","has coordinates","233609","2020-10-21","18:00:00",""
"4349128","23.854","0.002","23.854","0.002","10.4011","0.0018","90","","90","","90","","5918.4","1.2","120","0.1","120","2","","","","","","","","5","I -4","I -4","82","","","","- C31 H41 Mo2 O2 P -","- C31 H41 Mo2 O2 P -","- C248 H328 Mo16 O16 P8 -","8","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; Amor, Inmaculada; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Cycloaddition Reactions of the Phosphinidene-Bridged Complex [Mo<sub>2</sub>Cp(μ-κ<sup>1</sup>:κ<sup>1</sup>,η<sup>5</sup>-PC<sub>5</sub>H<sub>4</sub>)(CO)<sub>2</sub>(η<sup>6</sup>-HMes*)] with Diazoalkanes and Other Heterocumulenes.","Inorganic chemistry","2016","55","20","10680","10691","10.1021/acs.inorgchem.6b01930","","x-ray","0.71073","MoKα","","0.083","0.0506","","","0.0866","0.0964","","","","","","1.032","","","","has coordinates","233609","2020-10-21","18:00:00",""
"4349129","9.5101","0.0005","12.8133","0.0007","17.9238","0.0007","103.176","0.004","91.152","0.004","109.283","0.005","1996.48","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H106 Mo4 O4 P2 -","- C93 H106 Mo4 O4 P2 -","- C93 H106 Mo4 O4 P2 -","1","0.5","","Albuerne, Isabel G.; Alvarez, M. Angeles; Amor, Inmaculada; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Cycloaddition Reactions of the Phosphinidene-Bridged Complex [Mo<sub>2</sub>Cp(μ-κ<sup>1</sup>:κ<sup>1</sup>,η<sup>5</sup>-PC<sub>5</sub>H<sub>4</sub>)(CO)<sub>2</sub>(η<sup>6</sup>-HMes*)] with Diazoalkanes and Other Heterocumulenes.","Inorganic chemistry","2016","55","20","10680","10691","10.1021/acs.inorgchem.6b01930","","x-ray","1.54184","CuKα","","0.0747","0.0529","","","0.1473","0.1579","","","","","","1.052","","","","has coordinates,has disorder","233609","2020-10-21","18:00:00",""
"4349130","13.759","0.0004","15.7112","0.0004","16.5846","0.0005","101.548","0.002","105.06","0.002","102.362","0.002","3254.96","0.17","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C77 H71 B Fe N7 O3 P S -","- C77 H71 B Fe N7 O3 P S -","- C154 H142 B2 Fe2 N14 O6 P2 S2 -","2","1","","Fischer, Anne A.; Stracey, Nuru; Lindeman, Sergey V.; Brunold, Thomas C.; Fiedler, Adam T.","Synthesis, X-ray Structures, Electronic Properties, and O<sub>2</sub>/NO Reactivities of Thiol Dioxygenase Active-Site Models.","Inorganic chemistry","2016","55","22","11839","11853","10.1021/acs.inorgchem.6b01931","","x-ray","1.54184","CuKα","","0.0444","0.0409","","","0.0983","0.1005","","","","","","1.102","","","","has coordinates,has disorder","233612","2020-10-21","18:00:00",""
"4349131","19.2143","0.0003","21.0046","0.0002","17.0445","0.0002","90","","108.097","0.0014","90","","6538.69","0.15","100","0.1","100","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C76 H71 B Cl Fe N7 O P S -","- C76 H71 B Cl Fe N7 O P S -","- C304 H284 B4 Cl4 Fe4 N28 O4 P4 S4 -","4","1","","Fischer, Anne A.; Stracey, Nuru; Lindeman, Sergey V.; Brunold, Thomas C.; Fiedler, Adam T.","Synthesis, X-ray Structures, Electronic Properties, and O<sub>2</sub>/NO Reactivities of Thiol Dioxygenase Active-Site Models.","Inorganic chemistry","2016","55","22","11839","11853","10.1021/acs.inorgchem.6b01931","","x-ray","1.54184","CuKα","","0.0494","0.0381","","","0.093","0.1003","","","","","","1.026","","","","has coordinates","233612","2020-10-21","18:00:00",""
"4349132","15.5372","0.0004","23.9405","0.0005","17.2239","0.0012","90","","104.136","0.007","90","","6212.7","0.5","120","0.2","123.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H68 B Fe N10 O6 Zr -","- C69 H68 B Fe N10 O6 Zr -","- C276 H272 B4 Fe4 N40 O24 Zr4 -","4","1","","Dudkin, Semyon V.; Erickson, Nathan R.; Vologzhanina, Anna V.; Novikov, Valentin V.; Rhoda, Hannah M.; Holstrom, Cole D.; Zatsikha, Yuriy V.; Yusubov, Mekhman S.; Voloshin, Yan Z.; Nemykin, Victor N.","Preparation, X-ray Structures, Spectroscopic, and Redox Properties of Di- and Trinuclear Iron-Zirconium and Iron-Hafnium Porphyrinoclathrochelates.","Inorganic chemistry","2016","55","22","11867","11882","10.1021/acs.inorgchem.6b01936","","x-ray","0.71075","MoKα","","0.1306","0.0666","","","0.1284","0.1595","","","","","","1.013","","","","has coordinates","233614","2020-10-21","18:00:00",""
"4349133","15.0421","0.0002","20.6793","0.0002","21.0501","0.0003","65.278","0.001","80.868","0.001","73.523","0.001","5697.43","0.13","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C115.75 H100 Fe N14 O6 Zr2 -","- C115.75 H100 Fe N14 O6 Zr2 -","- C231.5 H200 Fe2 N28 O12 Zr4 -","2","1","","Dudkin, Semyon V.; Erickson, Nathan R.; Vologzhanina, Anna V.; Novikov, Valentin V.; Rhoda, Hannah M.; Holstrom, Cole D.; Zatsikha, Yuriy V.; Yusubov, Mekhman S.; Voloshin, Yan Z.; Nemykin, Victor N.","Preparation, X-ray Structures, Spectroscopic, and Redox Properties of Di- and Trinuclear Iron-Zirconium and Iron-Hafnium Porphyrinoclathrochelates.","Inorganic chemistry","2016","55","22","11867","11882","10.1021/acs.inorgchem.6b01936","","","1.54178","CuKα","","0.1128","0.0953","","","0.2558","0.287","","","","","","1.094","","","","has coordinates,has disorder","233614","2020-10-21","18:00:00",""
"4349134","22.6505","0.0004","17.5395","0.0004","39.0049","0.0006","90","","139.903","0.001","90","","9980.6","0.4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C108.67 H86 Fe Hf2 N14 O6 -","- C108.666 H85.9994 Fe Hf2 N14 O6 -","- C434.666 H343.998 Fe4 Hf8 N56 O24 -","4","1","","Dudkin, Semyon V.; Erickson, Nathan R.; Vologzhanina, Anna V.; Novikov, Valentin V.; Rhoda, Hannah M.; Holstrom, Cole D.; Zatsikha, Yuriy V.; Yusubov, Mekhman S.; Voloshin, Yan Z.; Nemykin, Victor N.","Preparation, X-ray Structures, Spectroscopic, and Redox Properties of Di- and Trinuclear Iron-Zirconium and Iron-Hafnium Porphyrinoclathrochelates.","Inorganic chemistry","2016","55","22","11867","11882","10.1021/acs.inorgchem.6b01936","","","1.54178","CuKα","","0.078","0.0564","","","0.1493","0.168","","","","","","1.018","","","","has coordinates,has disorder","233614","2020-10-21","18:00:00",""
"4349135","9.2716","0.0002","9.7733","0.0002","20.5433","0.0003","90","","100.015","0.002","90","","1833.15","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C100 H72 N8 -","4","1","","Huff, Gregory S.; Lo, Warrick K. C.; Horvath, Raphael; Turner, Jack O.; Sun, Xue-Zhong; Weal, Geoffrey R.; Davidson, Hannah J.; Kennedy, Aaron D. W.; McAdam, C. John; Crowley, James D.; George, Michael W.; Gordon, Keith C.","Excited States of Triphenylamine-Substituted 2-Pyridyl-1,2,3-triazole Complexes.","Inorganic chemistry","2016","55","23","12238","12253","10.1021/acs.inorgchem.6b01959","","","1.54184","CuKα","","0.0469","0.0431","","","0.1191","0.1234","","","","","","0.968","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349136","18.6832","0.0003","5.3622","0.0001","26.7016","0.0005","90","","90","","90","","2675.05","0.08","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H26 K N5 O -","- C32 H26 K N5 O -","- C128 H104 K4 N20 O4 -","4","1","","Huff, Gregory S.; Lo, Warrick K. C.; Horvath, Raphael; Turner, Jack O.; Sun, Xue-Zhong; Weal, Geoffrey R.; Davidson, Hannah J.; Kennedy, Aaron D. W.; McAdam, C. John; Crowley, James D.; George, Michael W.; Gordon, Keith C.","Excited States of Triphenylamine-Substituted 2-Pyridyl-1,2,3-triazole Complexes.","Inorganic chemistry","2016","55","23","12238","12253","10.1021/acs.inorgchem.6b01959","","","1.54184","CuKα","","0.0469","0.0445","","","0.1281","0.1337","","","","","","1.036","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349137","12.5021","0.0004","13.9357","0.0005","28.7104","0.0012","89.997","0.003","89.931","0.003","87.238","0.003","4996.3","0.3","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H41 F12 N9 P2 Ru -","- C52 H41 F12 N9 P2 Ru -","- C208 H164 F48 N36 P8 Ru4 -","4","2","","Huff, Gregory S.; Lo, Warrick K. C.; Horvath, Raphael; Turner, Jack O.; Sun, Xue-Zhong; Weal, Geoffrey R.; Davidson, Hannah J.; Kennedy, Aaron D. W.; McAdam, C. John; Crowley, James D.; George, Michael W.; Gordon, Keith C.","Excited States of Triphenylamine-Substituted 2-Pyridyl-1,2,3-triazole Complexes.","Inorganic chemistry","2016","55","23","12238","12253","10.1021/acs.inorgchem.6b01959","","","1.54184","CuKα","","0.1572","0.1088","","","0.2445","0.2653","","","","","","1.054","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349138","15.4671","0.0003","13.1261","0.0002","15.3956","0.0003","90","","104.962","0.002","90","","3019.69","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H25 Br N5 O3 Re -","- C35 H25 Br N5 O3 Re -","- C140 H100 Br4 N20 O12 Re4 -","4","1","","Huff, Gregory S.; Lo, Warrick K. C.; Horvath, Raphael; Turner, Jack O.; Sun, Xue-Zhong; Weal, Geoffrey R.; Davidson, Hannah J.; Kennedy, Aaron D. W.; McAdam, C. John; Crowley, James D.; George, Michael W.; Gordon, Keith C.","Excited States of Triphenylamine-Substituted 2-Pyridyl-1,2,3-triazole Complexes.","Inorganic chemistry","2016","55","23","12238","12253","10.1021/acs.inorgchem.6b01959","","","1.54184","CuKα","","0.0325","0.029","","","0.0625","0.0636","","","","","","1.241","","","","has coordinates,has disorder","233617","2020-10-21","18:00:00",""
"4349139","14.9463","0.0005","37.5453","0.0013","13.5608","0.0004","90","","91.439","0.003","90","","7607.4","0.4","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H35 N5 Pt -","- C48 H35 N5 Pt -","- C384 H280 N40 Pt8 -","8","2","","Huff, Gregory S.; Lo, Warrick K. C.; Horvath, Raphael; Turner, Jack O.; Sun, Xue-Zhong; Weal, Geoffrey R.; Davidson, Hannah J.; Kennedy, Aaron D. W.; McAdam, C. John; Crowley, James D.; George, Michael W.; Gordon, Keith C.","Excited States of Triphenylamine-Substituted 2-Pyridyl-1,2,3-triazole Complexes.","Inorganic chemistry","2016","55","23","12238","12253","10.1021/acs.inorgchem.6b01959","","","1.54184","CuKα","","0.1425","0.0894","","","0.2114","0.2371","","","","","","1.081","","","","has coordinates","233617","2020-10-21","18:00:00",""
"4349140","7.4108","0.0004","8.9317","0.0005","23.7139","0.0014","87.722","0.005","81.445","0.005","89.483","0.005","1550.95","0.15","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Cl2 N4 Pt -","- C13 H18 Cl2 N4 Pt -","- C52 H72 Cl8 N16 Pt4 -","4","2","","Huff, Gregory S.; Lo, Warrick K. C.; Horvath, Raphael; Turner, Jack O.; Sun, Xue-Zhong; Weal, Geoffrey R.; Davidson, Hannah J.; Kennedy, Aaron D. W.; McAdam, C. John; Crowley, James D.; George, Michael W.; Gordon, Keith C.","Excited States of Triphenylamine-Substituted 2-Pyridyl-1,2,3-triazole Complexes.","Inorganic chemistry","2016","55","23","12238","12253","10.1021/acs.inorgchem.6b01959","","","1.54184","CuKα","","0.1621","0.133","","","0.3802","0.3989","","","","","","1.082","","","","has coordinates","233617","2020-10-21","18:00:00",""
"4349141","20.5182","0.0004","28.0492","0.0007","10.3766","0.0002","90","","90","","90","","5971.9","0.2","153","","153","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C57 H60 Cl2 N10 O15 Zn2 -","- C57 H60 Cl2 N10 O15 Zn2 -","- C228 H240 Cl8 N40 O60 Zn8 -","4","1","","Mikata, Yuji; Ohnishi, Risa; Nishijima, Risa; Konno, Hideo","Fluorescent Detection of Phosphate Ion via a Tetranuclear Zinc Complex Supported by a Tetrakisquinoline Ligand and μ<sub>4</sub>-PO<sub>4</sub> Core.","Inorganic chemistry","2016","55","21","11440","11446","10.1021/acs.inorgchem.6b01967","","","0.7107","MoKα","","","0.0497","","","","0.1268","","","","","","1.077","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349142","40.815","0.01","16.493","0.004","33.646","0.009","90","","108.862","0.004","90","","21433","9","153","","153","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C103 H115 Cl3 N12 O31.5 P Zn4 -","- C103 H90 Cl3 N12 O31.5 P Zn4 -","- C824 H720 Cl24 N96 O252 P8 Zn32 -","8","1","","Mikata, Yuji; Ohnishi, Risa; Nishijima, Risa; Konno, Hideo","Fluorescent Detection of Phosphate Ion via a Tetranuclear Zinc Complex Supported by a Tetrakisquinoline Ligand and μ<sub>4</sub>-PO<sub>4</sub> Core.","Inorganic chemistry","2016","55","21","11440","11446","10.1021/acs.inorgchem.6b01967","","","0.71075","MoKα","","0.1021","0.0789","","","0.2002","0.2238","","","","","","1.072","","","","has coordinates","233620","2020-10-21","18:00:00",""
"4349143","53.1394","0.0005","16.5632","0.0002","26.0779","0.0003","90","","107.095","0.001","90","","21938.6","0.4","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H128 K4 O8 P4 -","- C92 H128 K4 O8 P4 -","- C736 H1024 K32 O64 P32 -","8","1","","Härling, Stephan M; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Potassium-Mediated Hydrophosphorylation of Heterocumulenes with Diarylphosphane Oxide and Sulfide.","Inorganic chemistry","2016","55","20","10741","10750","10.1021/acs.inorgchem.6b01973","","","0.71073","MoKα","","0.0856","0.0587","","","0.1361","0.1466","","","","","","1.053","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4349144","13.4619","0.0003","14.7468","0.0002","23.7374","0.0005","99.288","0.001","92.115","0.001","110.066","0.001","4346.57","0.15","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H120 K4 O8 P4 -","- C88 H120 K4 O8 P4 -","- C176 H240 K8 O16 P8 -","2","1","","Härling, Stephan M; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Potassium-Mediated Hydrophosphorylation of Heterocumulenes with Diarylphosphane Oxide and Sulfide.","Inorganic chemistry","2016","55","20","10741","10750","10.1021/acs.inorgchem.6b01973","","","0.71073","MoKα","","0.0798","0.0579","","","0.1114","0.1232","","","","","","1.038","","","","has coordinates,has disorder","233623","2020-10-21","18:00:00",""
"4349145","17.3948","0.0003","16.304","0.0004","6.1603","0.0001","90","","90","","90","","1747.09","0.06","133","2","133","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H20 K O P S -","- C17 H20 K O P S -","- C68 H80 K4 O4 P4 S4 -","4","1","","Härling, Stephan M; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Potassium-Mediated Hydrophosphorylation of Heterocumulenes with Diarylphosphane Oxide and Sulfide.","Inorganic chemistry","2016","55","20","10741","10750","10.1021/acs.inorgchem.6b01973","","","0.71073","MoKα","","0.0271","0.0258","","","0.0546","0.0553","","","","","","1.064","","","","has coordinates","233623","2020-10-21","18:00:00",""
"4349146","12.504","0.0003","13.0411","0.0004","14.452","0.0004","95.199","0.001","92.364","0.001","117.618","0.001","2070.24","0.1","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 N O2 P -","- C22 H30 N O2 P -","- C88 H120 N4 O8 P4 -","4","2","","Härling, Stephan M; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Potassium-Mediated Hydrophosphorylation of Heterocumulenes with Diarylphosphane Oxide and Sulfide.","Inorganic chemistry","2016","55","20","10741","10750","10.1021/acs.inorgchem.6b01973","","","0.71073","MoKα","","0.088","0.0632","","","0.162","0.1785","","","","","","1.023","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349147","8.6631","0.0002","9.192","0.0003","11.6161","0.0003","88.086","0.002","79.252","0.002","63.059","0.001","808.77","0.04","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N P S2 -","- C16 H18 N P S2 -","- C32 H36 N2 P2 S4 -","2","1","","Härling, Stephan M; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Potassium-Mediated Hydrophosphorylation of Heterocumulenes with Diarylphosphane Oxide and Sulfide.","Inorganic chemistry","2016","55","20","10741","10750","10.1021/acs.inorgchem.6b01973","","","0.71073","MoKα","","0.035","0.0319","","","0.0748","0.0772","","","","","","1.054","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349148","6.0187","0.0002","32.1086","0.001","11.2953","0.0004","90","","97.205","0.001","90","","2165.6","0.13","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 P S -","- C12 H11 P S -","- C96 H88 P8 S8 -","8","2","","Härling, Stephan M; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Potassium-Mediated Hydrophosphorylation of Heterocumulenes with Diarylphosphane Oxide and Sulfide.","Inorganic chemistry","2016","55","20","10741","10750","10.1021/acs.inorgchem.6b01973","","","0.71073","MoKα","","0.0442","0.0377","","","0.0858","0.0892","","","","","","1.161","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349149","18.1471","0.0008","17.7577","0.0008","9.7232","0.0004","90","","95.814","0.001","90","","3117.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 Cr O3 Sn -","- C31 H48 Cr O3 Sn -","- C124 H192 Cr4 O12 Sn4 -","4","1","","Cai, Xiaochen; Majumdar, Subhojit; Fortman, George C.; Koppaka, Anjaneyulu; Serafim, Leonardo; Captain, Burjor; Temprado, Manuel; Hoff, Carl D.","Thermodynamic, Kinetic, Structural, and Computational Studies of the Ph<sub>3</sub>Sn-H, Ph<sub>3</sub>Sn-SnPh<sub>3</sub>, and Ph<sub>3</sub>Sn-Cr(CO)<sub>3</sub>C<sub>5</sub>Me<sub>5</sub> Bond Dissociation Enthalpies.","Inorganic chemistry","2016","55","20","10751","10766","10.1021/acs.inorgchem.6b01978","","","0.71073","MoKα","","0.0684","0.0454","","","0.1177","0.1339","","","","","","1.062","","","","has coordinates","233626","2020-10-21","18:00:00",""
"4349150","36.9426","0.0019","8.7211","0.0005","37.1627","0.0019","90","","109.098","0.001","90","","11314.1","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H30 Cr O3 Sn -","- C31 H30 Cr O3 Sn -","- C496 H480 Cr16 O48 Sn16 -","16","2","","Cai, Xiaochen; Majumdar, Subhojit; Fortman, George C.; Koppaka, Anjaneyulu; Serafim, Leonardo; Captain, Burjor; Temprado, Manuel; Hoff, Carl D.","Thermodynamic, Kinetic, Structural, and Computational Studies of the Ph<sub>3</sub>Sn-H, Ph<sub>3</sub>Sn-SnPh<sub>3</sub>, and Ph<sub>3</sub>Sn-Cr(CO)<sub>3</sub>C<sub>5</sub>Me<sub>5</sub> Bond Dissociation Enthalpies.","Inorganic chemistry","2016","55","20","10751","10766","10.1021/acs.inorgchem.6b01978","","","0.71073","MoKα","","0.0486","0.0332","","","0.0693","0.075","","","","","","1.035","","","","has coordinates","233626","2020-10-21","18:00:00",""
"4349151","9.15","0.01","10.184","0.012","13.487","0.015","90","","96.96","0.13","90","","1248","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","disilver_dodekafluorido_closo_dodekaborate","disilver_dodekafluorido_closo_dodekaborate_with_sulfurdioxide","","- C0 Ag B6 F6 O6 S3 -","- Ag B6 F6 O6 S3 -","- Ag4 B24 F24 O24 S12 -","4","1","","Malischewski, Moritz; Peryshkov, Dmitry V.; Bukovsky, Eric V.; Seppelt, Konrad; Strauss, Steven H.","Structures of M<sub>2</sub>(SO<sub>2</sub>)<sub>6</sub>B<sub>12</sub>F<sub>12</sub> (M = Ag or K) and Ag<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>B<sub>12</sub>F<sub>12</sub>: Comparison of the Coordination of SO<sub>2</sub> versus H<sub>2</sub>O and of B<sub>12</sub>F<sub>12</sub><sup>2-</sup> versus Other Weakly Coordinating Anions to Metal Ions in the Solid State.","Inorganic chemistry","2016","55","23","12254","12262","10.1021/acs.inorgchem.6b01980","","","0.71073","MoKα","","0.0447","0.0413","","","0.13","0.1326","","","","","","1.165","","","","has coordinates","233628","2020-10-21","18:00:00",""
"4349152","9.377","0.003","10.327","0.003","13.725","0.004","90","","97.339","0.005","90","","1318.2","0.7","143","2","143","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","dikalium_dodekafluorido_closo_dodekaborate","dikalium_dodekafluorido_closo_dodekaborate_sulfurdioxide_solvate","","- C0 H0 B12 F12 K2 O12 S6 -","- B12 F12 K2 O12 S6 -","- B24 F24 K4 O24 S12 -","2","0.5","","Malischewski, Moritz; Peryshkov, Dmitry V.; Bukovsky, Eric V.; Seppelt, Konrad; Strauss, Steven H.","Structures of M<sub>2</sub>(SO<sub>2</sub>)<sub>6</sub>B<sub>12</sub>F<sub>12</sub> (M = Ag or K) and Ag<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>B<sub>12</sub>F<sub>12</sub>: Comparison of the Coordination of SO<sub>2</sub> versus H<sub>2</sub>O and of B<sub>12</sub>F<sub>12</sub><sup>2-</sup> versus Other Weakly Coordinating Anions to Metal Ions in the Solid State.","Inorganic chemistry","2016","55","23","12254","12262","10.1021/acs.inorgchem.6b01980","","","0.71073","MoKα","","0.0371","0.0285","","","0.0707","0.0766","","","","","","1.036","","","","has coordinates","233630","2020-10-21","18:00:00",""
"4349153","10.4428","0.0007","10.9458","0.0005","14.0126","0.0007","90","","93.089","0.001","90","","1599.38","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ag2 B12 F12 H8 O4 -","- Ag2 B12 F12 H8 O4 -","- Ag8 B48 F48 H32 O16 -","4","1","","Malischewski, Moritz; Peryshkov, Dmitry V.; Bukovsky, Eric V.; Seppelt, Konrad; Strauss, Steven H.","Structures of M<sub>2</sub>(SO<sub>2</sub>)<sub>6</sub>B<sub>12</sub>F<sub>12</sub> (M = Ag or K) and Ag<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>B<sub>12</sub>F<sub>12</sub>: Comparison of the Coordination of SO<sub>2</sub> versus H<sub>2</sub>O and of B<sub>12</sub>F<sub>12</sub><sup>2-</sup> versus Other Weakly Coordinating Anions to Metal Ions in the Solid State.","Inorganic chemistry","2016","55","23","12254","12262","10.1021/acs.inorgchem.6b01980","","","0.71073","MoKα","","0.0786","0.0443","","","0.1114","0.1411","","","","","","0.783","","","","has coordinates","233632","2020-10-21","18:00:00",""
"4349154","17.106","0.002","14.2223","0.0018","17.709","0.002","90","","102.067","0.004","90","","4213.2","0.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44.62 H30.62 Br0.62 Cl5.24 N5 O2 P -","- C44.619 H30.619 Br0.619 Cl5.238 N5 O2 P -","- C178.476 H122.476 Br2.476 Cl20.952 N20 O8 P4 -","4","1","","Meshkov, Ivan N.; Bulach, Véronique; Gorbunova, Yulia G.; Kyritsakas, Nathalie; Grigoriev, Mikhail S.; Tsivadze, Aslan Yu; Hosseini, Mir Wais","Phosphorus(V) Porphyrin-Based Molecular Turnstiles.","Inorganic chemistry","2016","55","20","10774","10782","10.1021/acs.inorgchem.6b01989","","","0.71073","MoKα","","0.1711","0.0812","","","0.2182","0.2457","","","","","","1.012","","","","has coordinates,has disorder","233634","2020-10-21","18:00:00",""
"4349155","11.272","0.0006","11.8839","0.0008","18.7479","0.0011","76.446","0.004","80.822","0.004","78.554","0.004","2376","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H38 Br0.5 Cl3.5 N5 O4 P -","- C56 H38 Br0.496 Cl3.504 N5 O4 P -","- C112 H76 Br0.992 Cl7.008 N10 O8 P2 -","2","1","","Meshkov, Ivan N.; Bulach, Véronique; Gorbunova, Yulia G.; Kyritsakas, Nathalie; Grigoriev, Mikhail S.; Tsivadze, Aslan Yu; Hosseini, Mir Wais","Phosphorus(V) Porphyrin-Based Molecular Turnstiles.","Inorganic chemistry","2016","55","20","10774","10782","10.1021/acs.inorgchem.6b01989","","","0.71073","MoKα","","0.1557","0.0765","","","0.1791","0.217","","","","","","1.021","","","","has coordinates,has disorder","233635","2020-10-21","18:00:00",""
"4349156","10.6905","0.0012","18.494","0.002","13.2939","0.0015","90","","112.329","0.002","90","","2431.3","0.5","100","0.5","100","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","jonyj31","Tp'Rh(PMe3)(OH)Br","","- C18.79 H33.37 B Br1.21 N6 O0.79 P Rh -","- C18.7894 H33.3682 B Br1.2106 N6 O0.7894 P Rh -","- C75.1576 H133.473 B4 Br4.8424 N24 O3.1576 P4 Rh4 -","4","1","","Yuwen, Jing; Jiao, Yunzhe; Brennessel, William W.; Jones, William D.","Determination of Rhodium-Alkoxide Bond Strengths in Tp'Rh(PMe3)(OR)H.","Inorganic chemistry","2016","55","18","9482","9491","10.1021/acs.inorgchem.6b01992","","","0.71073","MoKα","","0.0736","0.0396","","","0.0837","0.0887","","","","","","1.117","","","","has coordinates,has disorder","233637","2020-10-21","18:00:00",""
"4349157","10.983","0.0007","16.819","0.001","13.3838","0.0008","90","","111.637","0.001","90","","2298.1","0.2","100","0.5","100","0.5","","","","","","","","9","P 1 21/n 1","-P 2yn","14","jonyj41","Tp'Rh(PMe3)(OMe)Br","","- C18 H32 B Br0.86 Cl0.14 N6 O0.86 P Rh -","- C18 H32.0002 B Br0.8537 Cl0.146 N6 O0.8542 P Rh -","- C72 H128.001 B4 Br3.4148 Cl0.584 N24 O3.4168 P4 Rh4 -","4","1","","Yuwen, Jing; Jiao, Yunzhe; Brennessel, William W.; Jones, William D.","Determination of Rhodium-Alkoxide Bond Strengths in Tp'Rh(PMe3)(OR)H.","Inorganic chemistry","2016","55","18","9482","9491","10.1021/acs.inorgchem.6b01992","","","0.71073","MoKα","","0.0748","0.0412","","","0.0875","0.0977","","","","","","1.026","","","","has coordinates,has disorder","233637","2020-10-21","18:00:00",""
"4349158","9.5464","0.0015","14.181","0.002","23.72","0.004","103.231","0.004","94.598","0.004","96.035","0.004","3090.5","0.8","273","2","273","2","","","","","","","","5","P -1","-P 1","2","Cerium(III)6’,6-bis(1-benzyl-1H-1,2,3-triazol-4-yl)-2,2’-bipyridine","","","- C28 H21 Ce N11 O9 -","- C28 H22 Ce N11 O9 -","- C112 H88 Ce4 N44 O36 -","4","2","","Muller, Julie M.; Galley, Shane S.; Albrecht-Schmitt, Thomas E; Nash, Kenneth L.","Characterization of Lanthanide Complexes with Bis-1,2,3-triazole-bipyridine Ligands Involved in Actinide/Lanthanide Separation.","Inorganic chemistry","2016","55","21","11454","11461","10.1021/acs.inorgchem.6b02005","","","0.71073","MoKα","","0.1304","0.0559","","","0.0827","0.1001","","","","","","0.987","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4349159","15.4185","0.001","15.8876","0.0011","15.7183","0.0011","90","","90","","90","","3850.4","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H16 Cu2 N6 O2 -","- C22 H16 Cu2 N6 O2 -","- C176 H128 Cu16 N48 O16 -","8","1","","McMoran, Ethan P.; Powell, Douglas R.; Perez, Felio; Rowe, Gerard T.; Yang, Lei","Synthesis and Characterization of Copper Complexes with Cu<sup>I</sup>Cu<sup>I</sup>, Cu<sup>1.5</sup>Cu<sup>1.5</sup>m and Cu<sup>II</sup>Cu<sup>II</sup> Core Structures Supported by a Flexible Dipyridylamide Ligand.","Inorganic chemistry","2016","55","21","11462","11472","10.1021/acs.inorgchem.6b02006","","","0.71073","MoKα","","0.0345","0.0289","","","0.0812","0.0859","","","","","","0.993","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4349160","15.031","0.003","27.899","0.006","11.378","0.002","90","","90","","90","","4771.4","1.6","100","2","100","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C47 H38 Cu4 F6 N12 Na O5 P -","- C47 H38 Cu4 F6 N12 Na O5 P -","- C188 H152 Cu16 F24 N48 Na4 O20 P4 -","4","1","","McMoran, Ethan P.; Powell, Douglas R.; Perez, Felio; Rowe, Gerard T.; Yang, Lei","Synthesis and Characterization of Copper Complexes with Cu<sup>I</sup>Cu<sup>I</sup>, Cu<sup>1.5</sup>Cu<sup>1.5</sup>m and Cu<sup>II</sup>Cu<sup>II</sup> Core Structures Supported by a Flexible Dipyridylamide Ligand.","Inorganic chemistry","2016","55","21","11462","11472","10.1021/acs.inorgchem.6b02006","","","0.71073","MoKα","","0.0906","0.0615","","","0.1201","0.1359","","","","","","0.996","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4349161","12.799","0.004","12.332","0.004","14.475","0.005","90","","113.998","0.003","90","","2087.2","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cl Cu2 N6 O2 -","- C22 H16 Cl Cu2 N6 O2 -","- C88 H64 Cl4 Cu8 N24 O8 -","4","0.5","","McMoran, Ethan P.; Powell, Douglas R.; Perez, Felio; Rowe, Gerard T.; Yang, Lei","Synthesis and Characterization of Copper Complexes with Cu<sup>I</sup>Cu<sup>I</sup>, Cu<sup>1.5</sup>Cu<sup>1.5</sup>m and Cu<sup>II</sup>Cu<sup>II</sup> Core Structures Supported by a Flexible Dipyridylamide Ligand.","Inorganic chemistry","2016","55","21","11462","11472","10.1021/acs.inorgchem.6b02006","","","0.71073","MoKα","","0.1053","0.0589","","","0.1471","0.1713","","","","","","1.02","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4349162","15.219","0.004","7.4337","0.0019","19.372","0.005","90","","90","","90","","2191.6","1","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H16 Cl2 Cu3 N6 O2 -","- C22 H16 Cl2 Cu3 N6 O2 -","- C88 H64 Cl8 Cu12 N24 O8 -","4","0.5","","McMoran, Ethan P.; Powell, Douglas R.; Perez, Felio; Rowe, Gerard T.; Yang, Lei","Synthesis and Characterization of Copper Complexes with Cu<sup>I</sup>Cu<sup>I</sup>, Cu<sup>1.5</sup>Cu<sup>1.5</sup>m and Cu<sup>II</sup>Cu<sup>II</sup> Core Structures Supported by a Flexible Dipyridylamide Ligand.","Inorganic chemistry","2016","55","21","11462","11472","10.1021/acs.inorgchem.6b02006","","","0.71073","MoKα","","0.0422","0.0262","","","0.0621","0.0705","","","","","","1.001","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4349163","13.6382","0.0009","29.853","0.002","10.644","0.0007","90","","90","","90","","4333.6","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C39 H40 Cl2 Cu2 N10 O11 -","- C39 H40 Cl2 Cu2 N10 O11 -","- C156 H160 Cl8 Cu8 N40 O44 -","4","1","","McMoran, Ethan P.; Powell, Douglas R.; Perez, Felio; Rowe, Gerard T.; Yang, Lei","Synthesis and Characterization of Copper Complexes with Cu<sup>I</sup>Cu<sup>I</sup>, Cu<sup>1.5</sup>Cu<sup>1.5</sup>m and Cu<sup>II</sup>Cu<sup>II</sup> Core Structures Supported by a Flexible Dipyridylamide Ligand.","Inorganic chemistry","2016","55","21","11462","11472","10.1021/acs.inorgchem.6b02006","","","0.71073","MoKα","","0.0432","0.0381","","","0.0968","0.0998","","","","","","0.989","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4349164","10.7126","0.0016","10.9221","0.0017","16.046","0.002","90.953","0.002","101.778","0.002","91.607","0.002","1836.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cu2 N10 O7 -","- C34 H28 Cu2 N10 O7 -","- C68 H56 Cu4 N20 O14 -","2","1","","McMoran, Ethan P.; Powell, Douglas R.; Perez, Felio; Rowe, Gerard T.; Yang, Lei","Synthesis and Characterization of Copper Complexes with Cu<sup>I</sup>Cu<sup>I</sup>, Cu<sup>1.5</sup>Cu<sup>1.5</sup>m and Cu<sup>II</sup>Cu<sup>II</sup> Core Structures Supported by a Flexible Dipyridylamide Ligand.","Inorganic chemistry","2016","55","21","11462","11472","10.1021/acs.inorgchem.6b02006","","","0.71073","MoKα","","0.0335","0.0316","","","0.0898","0.0912","","","","","","1.017","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4349165","10.0766","0.0016","33.708","0.006","11.1091","0.0018","90","","91.135","0.002","90","","3772.6","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 B Cu2 F4 N9 O4 -","- C33 H26 B Cu2 F4 N9 O4 -","- C132 H104 B4 Cu8 F16 N36 O16 -","4","1","","McMoran, Ethan P.; Powell, Douglas R.; Perez, Felio; Rowe, Gerard T.; Yang, Lei","Synthesis and Characterization of Copper Complexes with Cu<sup>I</sup>Cu<sup>I</sup>, Cu<sup>1.5</sup>Cu<sup>1.5</sup>m and Cu<sup>II</sup>Cu<sup>II</sup> Core Structures Supported by a Flexible Dipyridylamide Ligand.","Inorganic chemistry","2016","55","21","11462","11472","10.1021/acs.inorgchem.6b02006","","","0.71073","MoKα","","0.1002","0.0844","","","0.1889","0.1953","","","","","","1.184","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4349166","18.8064","0.001","18.7873","0.001","22.3898","0.0012","90","","102.726","0.003","90","","7716.5","0.7","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H22 Br2 F12 N6 P2 Ru -","- C34 H22 Br2 F12 N6 P2 Ru -","- C272 H176 Br16 F96 N48 P16 Ru8 -","8","2","","Iranmanesh, Hasti; Arachchige, Kasun S. A.; Bhadbhade, Mohan; Donald, William A.; Liew, Jane Y.; Liu, Kenny T.-C.; Luis, Ena T.; Moore, Evan G.; Price, Jason R.; Yan, Hong; Yang, Jiajia; Beves, Jonathon E.","Chiral Ruthenium(II) Complexes as Supramolecular Building Blocks for Heterometallic Self-Assembly.","Inorganic chemistry","2016","55","24","12737","12751","10.1021/acs.inorgchem.6b02007","","","0.71073","MoKα","","0.057","0.0503","","","0.1204","0.1232","","","","","","1.037","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349167","10.9641","0.0008","30.769","0.003","12.2946","0.0011","90","","100.83","0.004","90","","4073.8","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 F12 N7 P2 Ru -","- C39 H27 F12 N7 P2 Ru -","- C156 H108 F48 N28 P8 Ru4 -","4","1","","Iranmanesh, Hasti; Arachchige, Kasun S. A.; Bhadbhade, Mohan; Donald, William A.; Liew, Jane Y.; Liu, Kenny T.-C.; Luis, Ena T.; Moore, Evan G.; Price, Jason R.; Yan, Hong; Yang, Jiajia; Beves, Jonathon E.","Chiral Ruthenium(II) Complexes as Supramolecular Building Blocks for Heterometallic Self-Assembly.","Inorganic chemistry","2016","55","24","12737","12751","10.1021/acs.inorgchem.6b02007","","x-ray","0.71073","MoKα","","0.0742","0.0485","","","0.1139","0.1228","","","","","","1.067","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4349168","22.203","0.004","13.674","0.003","27.303","0.006","90","","94.76","0.03","90","","8261","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 Br F12 N7 P2 Ru -","- C36 H26 Br F12 N7 P2 Ru -","- C288 H208 Br8 F96 N56 P16 Ru8 -","8","1","","Iranmanesh, Hasti; Arachchige, Kasun S. A.; Bhadbhade, Mohan; Donald, William A.; Liew, Jane Y.; Liu, Kenny T.-C.; Luis, Ena T.; Moore, Evan G.; Price, Jason R.; Yan, Hong; Yang, Jiajia; Beves, Jonathon E.","Chiral Ruthenium(II) Complexes as Supramolecular Building Blocks for Heterometallic Self-Assembly.","Inorganic chemistry","2016","55","24","12737","12751","10.1021/acs.inorgchem.6b02007","","","0.71073","MoKα","","0.0969","0.0871","","","0.2232","0.2284","","","","","","1.109","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4349169","18.237","0.004","32.482","0.007","12.878","0.003","90","","90","","90","","7629","3","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H26 Br2 F12 N6 O P2 Ru -","- C35 H26 Br2 F12 N6 O P2 Ru -","- C280 H208 Br16 F96 N48 O8 P16 Ru8 -","8","2","","Iranmanesh, Hasti; Arachchige, Kasun S. A.; Bhadbhade, Mohan; Donald, William A.; Liew, Jane Y.; Liu, Kenny T.-C.; Luis, Ena T.; Moore, Evan G.; Price, Jason R.; Yan, Hong; Yang, Jiajia; Beves, Jonathon E.","Chiral Ruthenium(II) Complexes as Supramolecular Building Blocks for Heterometallic Self-Assembly.","Inorganic chemistry","2016","55","24","12737","12751","10.1021/acs.inorgchem.6b02007","","","0.71073","MoKα","","0.0497","0.048","","","0.1249","0.1262","","","","","","1.043","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349170","11.44","0.002","14.71","0.003","14.99","0.003","76.03","0.03","78.88","0.03","86.64","0.03","2401.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H27 F12 N7 P2 Ru -","- C41 H27 F12 N7 P2 Ru -","- C82 H54 F24 N14 P4 Ru2 -","2","1","","Iranmanesh, Hasti; Arachchige, Kasun S. A.; Bhadbhade, Mohan; Donald, William A.; Liew, Jane Y.; Liu, Kenny T.-C.; Luis, Ena T.; Moore, Evan G.; Price, Jason R.; Yan, Hong; Yang, Jiajia; Beves, Jonathon E.","Chiral Ruthenium(II) Complexes as Supramolecular Building Blocks for Heterometallic Self-Assembly.","Inorganic chemistry","2016","55","24","12737","12751","10.1021/acs.inorgchem.6b02007","","","0.71073","MoKα","","0.0953","0.0765","","","0.2021","0.2139","","","","","","1.019","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4349171","12.7248","0.0011","14.3433","0.0011","14.7081","0.0012","72.936","0.003","81.38","0.003","71.364","0.003","2427.1","0.3","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 F12 N8 O3 P2 Ru -","- C44 H36 F12 N8 O3 P2 Ru -","- C88 H72 F24 N16 O6 P4 Ru2 -","2","1","","Iranmanesh, Hasti; Arachchige, Kasun S. A.; Bhadbhade, Mohan; Donald, William A.; Liew, Jane Y.; Liu, Kenny T.-C.; Luis, Ena T.; Moore, Evan G.; Price, Jason R.; Yan, Hong; Yang, Jiajia; Beves, Jonathon E.","Chiral Ruthenium(II) Complexes as Supramolecular Building Blocks for Heterometallic Self-Assembly.","Inorganic chemistry","2016","55","24","12737","12751","10.1021/acs.inorgchem.6b02007","","","0.71073","MoKα","","0.0797","0.0659","","","0.1668","0.1732","","","","","","1.075","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349172","12.638","0.003","23.853","0.005","16.772","0.003","90","","95.94","0.03","90","","5028.8","1.8","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C180 H134 F48 N32 O3 P8 Ru4 -","- C180 H134 F47.9998 N32 O3 P8 Ru4 -","- C180 H134 F47.9998 N32 O3 P8 Ru4 -","1","0.5","","Iranmanesh, Hasti; Arachchige, Kasun S. A.; Bhadbhade, Mohan; Donald, William A.; Liew, Jane Y.; Liu, Kenny T.-C.; Luis, Ena T.; Moore, Evan G.; Price, Jason R.; Yan, Hong; Yang, Jiajia; Beves, Jonathon E.","Chiral Ruthenium(II) Complexes as Supramolecular Building Blocks for Heterometallic Self-Assembly.","Inorganic chemistry","2016","55","24","12737","12751","10.1021/acs.inorgchem.6b02007","","","0.71073","Synchrotron","","0.0618","0.0494","","","0.1232","0.1302","","","","","","1.022","","","","has coordinates,has disorder","233658","2020-10-21","18:00:00",""
"4349173","16.373","0.003","24.228","0.005","20.184","0.004","90","","105.82","0.03","90","","7703","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 Cd Cl3 F6 N8 P Ru -","- C44 H30 Cd Cl3 F6 N8 P Ru -","- C176 H120 Cd4 Cl12 F24 N32 P4 Ru4 -","4","0.5","","Iranmanesh, Hasti; Arachchige, Kasun S. A.; Bhadbhade, Mohan; Donald, William A.; Liew, Jane Y.; Liu, Kenny T.-C.; Luis, Ena T.; Moore, Evan G.; Price, Jason R.; Yan, Hong; Yang, Jiajia; Beves, Jonathon E.","Chiral Ruthenium(II) Complexes as Supramolecular Building Blocks for Heterometallic Self-Assembly.","Inorganic chemistry","2016","55","24","12737","12751","10.1021/acs.inorgchem.6b02007","","","0.71073","MoKα","","0.1313","0.1074","","","0.3015","0.3196","","","","","","1.137","","","","has coordinates","233660","2020-10-21","18:00:00",""
"4349174","18.0249","0.0006","18.0249","0.0006","13.4046","0.0005","90","","90","","120","","3771.6","0.2","299","2","299","2","","","","","","","","4","R -3 :H","-R 3","148","Indiumborate","In19B34O74(OH)11","","- B34 H11 In19 O85 -","- B34 H10.0002 In19 O85 -","- B102 H30.0006 In57 O255 -","3","0.166667","","Vitzthum, Daniela; Wurst, Klaus; Prock, Johannes; Brüggeller, Peter; Huppertz, Hubert","The Indium Borate In<sub>19</sub>B<sub>34</sub>O<sub>74</sub>(OH)<sub>11</sub> with T2 Supertetrahedra.","Inorganic chemistry","2016","55","21","11473","11478","10.1021/acs.inorgchem.6b02029","","","0.71073","MoKα","","0.0195","0.0165","","","0.0359","0.0366","","","","","","1.094","","","","has coordinates,has disorder","233663","2020-10-21","18:00:00",""
"4349175","10.32728","0.00015","11.1756","0.00016","16.8866","0.0002","90","","90","","90","","1948.94","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Cl N3 Pt -","- C20 H25 Cl N4 Pt -","- C80 H100 Cl4 N16 Pt4 -","4","1","","Ai, Yeye; Li, Yongguang; Ma, Huiqing; Su, Cheng-Yong; Yam, Vivian Wing-Wah","Cyclometalated Platinum(II) Complexes of 1,3-Bis(1-n-butylpyrazol-3-yl)benzenes: Synthesis, Characterization, Electrochemical, Photophysical, and Gelation Behavior Studies.","Inorganic chemistry","2016","55","22","11920","11929","10.1021/acs.inorgchem.6b02033","","","1.54184","CuKα","","0.0231","0.0226","","","0.0584","0.0588","","","","","","1.046","","","","has coordinates","233665","2020-10-21","18:00:00",""
"4349176","12.099","0.0002","16.5708","0.0003","13.1513","0.0002","90","","109.946","0.002","90","","2478.54","0.08","289.41","0.1","289.41","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 N5 O2 Pt -","- C28 H29 N5 O2 Pt -","- C112 H116 N20 O8 Pt4 -","4","1","","Ai, Yeye; Li, Yongguang; Ma, Huiqing; Su, Cheng-Yong; Yam, Vivian Wing-Wah","Cyclometalated Platinum(II) Complexes of 1,3-Bis(1-n-butylpyrazol-3-yl)benzenes: Synthesis, Characterization, Electrochemical, Photophysical, and Gelation Behavior Studies.","Inorganic chemistry","2016","55","22","11920","11929","10.1021/acs.inorgchem.6b02033","","x-ray","1.54184","CuKα","","0.0381","0.0372","","","0.1061","0.107","","","","","","1.125","","","","has coordinates","233667","2020-10-21","18:00:00",""
"4349177","4.9645","0.0014","4.9645","0.0014","27.207","0.011","90","","90","","120","","580.7","0.3","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Cl2 O3 Rb Zn2 -","- B Cl2 O3 Rb Zn2 -","- B3 Cl6 O9 Rb3 Zn6 -","3","0.166667","","Huang, Qian; Liu, Lijuan; Wang, Xiaoyang; Li, Rukang; Chen, Chuangtian","Beryllium-Free KBBF Family of Nonlinear-Optical Crystals: AZn<sub>2</sub>BO<sub>3</sub>X<sub>2</sub> (A = Na, K, Rb; X = Cl, Br).","Inorganic chemistry","2016","55","24","12496","12499","10.1021/acs.inorgchem.6b02044","","","0.71073","MoKα","","0.0271","0.0256","","","0.0826","0.0832","","","","","","1.205","","","","has coordinates","233669","2020-10-21","18:00:00",""
"4349178","17.5866","0.0007","9.3976","0.0003","22.8638","0.0007","90","","101.591","0.002","90","","3701.7","0.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Hg P2 -","- C48 H36 Hg P2 -","- C192 H144 Hg4 P8 -","4","0.5","","Hupf, Emanuel; Kather, Ralf; Vogt, Matthias; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Role of Dispersion in Metallophilic Hg···M Interactions (M = Cu, Ag, Au) within Coinage Metal Complexes of Bis(6-diphenylphosphinoacenaphth-5-yl)mercury.","Inorganic chemistry","2016","55","21","11513","11521","10.1021/acs.inorgchem.6b02056","","","0.71073","MoKα","","0.0166","0.0157","","","0.0361","0.0365","","","","","","1.17","","","","has coordinates","233671","2020-10-21","18:00:00",""
"4349179","12.838","0.0002","13.4593","0.0003","13.4997","0.0003","74.396","0.001","73.542","0.001","71.265","0.001","2077.43","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H38 Cl3 Cu Hg P2 -","- C49 H38 Cl3 Cu Hg P2 -","- C98 H76 Cl6 Cu2 Hg2 P4 -","2","1","","Hupf, Emanuel; Kather, Ralf; Vogt, Matthias; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Role of Dispersion in Metallophilic Hg···M Interactions (M = Cu, Ag, Au) within Coinage Metal Complexes of Bis(6-diphenylphosphinoacenaphth-5-yl)mercury.","Inorganic chemistry","2016","55","21","11513","11521","10.1021/acs.inorgchem.6b02056","","","0.71073","MoKα","","0.0374","0.0298","","","0.0682","0.0703","","","","","","1.052","","","","has coordinates,has disorder","233671","2020-10-21","18:00:00",""
"4349180","12.2731","0.0004","12.8124","0.0004","16.1601","0.0005","101.376","0.001","99.316","0.001","92.873","0.001","2449.5","0.13","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C52 H43 B Cl4 Cu F4 Hg N P2 -","- C52 H43 B Cl4 Cu F4 Hg N P2 -","- C104 H86 B2 Cl8 Cu2 F8 Hg2 N2 P4 -","2","1","","Hupf, Emanuel; Kather, Ralf; Vogt, Matthias; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Role of Dispersion in Metallophilic Hg···M Interactions (M = Cu, Ag, Au) within Coinage Metal Complexes of Bis(6-diphenylphosphinoacenaphth-5-yl)mercury.","Inorganic chemistry","2016","55","21","11513","11521","10.1021/acs.inorgchem.6b02056","","","0.71073","MoKα","","0.048","0.0328","","","0.0671","0.0711","","","","","","1.055","","","","has coordinates,has disorder","233671","2020-10-21","18:00:00",""
"4349181","30.933","0.008","7.3886","0.0016","25.7","0.007","90","","111.909","0.006","90","","5450","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 Cd N2 O4 S6 -","- C23 H20 Cd N2 O4 S6 -","- C184 H160 Cd8 N16 O32 S48 -","8","1","","Chen, Ting; Huo, Peng; Hou, Jin-Le; Xu, Jing; Zhu, Qin-Yu; Dai, Jie","Confinement Effects of Metal-Organic Framework on the Formation of Charge-Transfer Tetrathiafulvalene Dimers.","Inorganic chemistry","2016","55","24","12758","12765","10.1021/acs.inorgchem.6b02062","","","0.71075","MoKα","","0.1822","0.1225","","","0.1802","0.2048","","","","","","1.194","","","","has coordinates","233673","2020-10-21","18:00:00",""
"4349182","11.679","0.002","16.526","0.003","25.117","0.005","90","","90.02","0.03","90","","4847.8","1.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H38 Cd2 Cl N4 O12 S6 -","- C37 H34 Cd2 Cl N4 O12 S6 -","- C148 H136 Cd8 Cl4 N16 O48 S24 -","4","1","","Chen, Ting; Huo, Peng; Hou, Jin-Le; Xu, Jing; Zhu, Qin-Yu; Dai, Jie","Confinement Effects of Metal-Organic Framework on the Formation of Charge-Transfer Tetrathiafulvalene Dimers.","Inorganic chemistry","2016","55","24","12758","12765","10.1021/acs.inorgchem.6b02062","","","0.71073","MoKα","","0.1604","0.1259","","","0.1805","0.196","","","","","","1.141","","","","has coordinates","233675","2020-10-21","18:00:00",""
"4349183","30.627","0.004","7.4058","0.0009","25.397","0.003","90","","111.391","0.003","90","","5363.7","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 Mn N2 O4 S6 -","- C23 H20 Mn N2 O4 S6 -","- C184 H160 Mn8 N16 O32 S48 -","8","1","","Chen, Ting; Huo, Peng; Hou, Jin-Le; Xu, Jing; Zhu, Qin-Yu; Dai, Jie","Confinement Effects of Metal-Organic Framework on the Formation of Charge-Transfer Tetrathiafulvalene Dimers.","Inorganic chemistry","2016","55","24","12758","12765","10.1021/acs.inorgchem.6b02062","","","0.71075","MoKα","","0.1156","0.0769","","","0.1267","0.1432","","","","","","1.13","","","","has coordinates","233677","2020-10-21","18:00:00",""
"4349184","9.3751","0.0005","11.72","0.0008","15.59","0.0008","90","","90","","90","","1712.97","0.17","150","2","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H27 B8 N -","- C12 H27 B8 N -","- C48 H108 B32 N4 -","4","1","","Tok, Oleg L.; Růžičková, Zdenka; Růžička, Aleš; Hnyk, Drahomír; Štíbr, Bohumil","Prototropic μ-H<sup>8,9</sup> and μ-H<sup>9,10</sup> Tautomers Derived from the [nido-5,6-C<sub>2</sub>B<sub>8</sub>H<sub>11</sub>]<sup>-</sup> Anion.","Inorganic chemistry","2016","55","20","10122","10124","10.1021/acs.inorgchem.6b02076","","","0.71073","MoKα","","0.0941","0.059","","","0.1264","0.1496","","","","","","1.056","","","","has coordinates","233679","2020-10-21","18:00:00",""
"4349185","7.449","0.0008","7.891","0.0011","14.826","0.0017","88.895","0.012","82.014","0.01","75.824","0.009","836.64","0.18","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C10 H31 B8 N -","- C10 H31 B8 N -","- C20 H62 B16 N2 -","2","1","","Tok, Oleg L.; Růžičková, Zdenka; Růžička, Aleš; Hnyk, Drahomír; Štíbr, Bohumil","Prototropic μ-H<sup>8,9</sup> and μ-H<sup>9,10</sup> Tautomers Derived from the [nido-5,6-C<sub>2</sub>B<sub>8</sub>H<sub>11</sub>]<sup>-</sup> Anion.","Inorganic chemistry","2016","55","20","10122","10124","10.1021/acs.inorgchem.6b02076","","","0.71073","MoKα","","0.1261","0.0777","","","0.1662","0.1994","","","","","","1.07","","","","has coordinates","233681","2020-10-21","18:00:00",""
"4349186","13.527","0.003","21.472","0.004","14.142","0.003","90","","114.98","0.03","90","","3723.3","1.6","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H50 Cl2 Fe2 N10 O10 -","- C27 H50 Cl2 Fe2 N10 O10 -","- C108 H200 Cl8 Fe8 N40 O40 -","4","1","","Kindermann, Nicole; Schober, Anne; Demeshko, Serhiy; Lehnert, Nicolai; Meyer, Franc","Reductive Transformations of a Pyrazolate-Based Bioinspired Diiron-Dinitrosyl Complex.","Inorganic chemistry","2016","55","21","11538","11550","10.1021/acs.inorgchem.6b02080","","","0.71073","MoKα","","0.044","0.0291","","","0.0668","0.0703","","","","","","0.956","","","","has coordinates","233683","2020-10-21","18:00:00",""
"4349187","21.485","0.004","17.045","0.003","21.035","0.004","90","","95.12","0.03","90","","7673","2","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83.5 H98.5 B2 Fe2 N10.5 O2 -","- C83.5 H98.5 B2 Fe2 N10.5 O2 -","- C334 H394 B8 Fe8 N42 O8 -","4","0.5","","Kindermann, Nicole; Schober, Anne; Demeshko, Serhiy; Lehnert, Nicolai; Meyer, Franc","Reductive Transformations of a Pyrazolate-Based Bioinspired Diiron-Dinitrosyl Complex.","Inorganic chemistry","2016","55","21","11538","11550","10.1021/acs.inorgchem.6b02080","","","0.71073","MoKα","","0.0747","0.0542","","","0.1393","0.1481","","","","","","1.03","","","","has coordinates,has disorder","233683","2020-10-21","18:00:00",""
"4349188","12.585","0.003","23.041","0.005","25.469","0.005","100.83","0.03","90.48","0.03","104.63","0.03","7006","3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C77.5 H88.5 B2 Fe2 N10.5 O4 -","- C77.5 H88.5 B2 Fe2 N10.5 O4 -","- C310 H354 B8 Fe8 N42 O16 -","4","2","","Kindermann, Nicole; Schober, Anne; Demeshko, Serhiy; Lehnert, Nicolai; Meyer, Franc","Reductive Transformations of a Pyrazolate-Based Bioinspired Diiron-Dinitrosyl Complex.","Inorganic chemistry","2016","55","21","11538","11550","10.1021/acs.inorgchem.6b02080","","","0.71073","MoKα","","0.1388","0.0648","","","0.0954","0.1126","","","","","","0.926","","","","has coordinates,has disorder","233683","2020-10-21","18:00:00",""
"4349189","13.024","0.003","9.1413","0.0018","13.691","0.003","90","","103.89","0.03","90","","1582.3","0.6","133","2","133","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C21 H41 Cl Fe2 N12 O8 -","- C21 H41 Cl Fe2 N12 O8 -","- C42 H82 Cl2 Fe4 N24 O16 -","2","0.5","","Kindermann, Nicole; Schober, Anne; Demeshko, Serhiy; Lehnert, Nicolai; Meyer, Franc","Reductive Transformations of a Pyrazolate-Based Bioinspired Diiron-Dinitrosyl Complex.","Inorganic chemistry","2016","55","21","11538","11550","10.1021/acs.inorgchem.6b02080","","","0.71073","MoKα","","0.1172","0.0894","","","0.2399","0.2542","","","","","","1.064","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349190","10.822","0.002","10.938","0.002","14.174","0.003","96.57","0.03","99.94","0.03","95","0.03","1631.9","0.6","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H47 Cl Fe2 N8 O8 -","- C25 H47 Cl Fe2 N8 O8 -","- C50 H94 Cl2 Fe4 N16 O16 -","2","1","","Kindermann, Nicole; Schober, Anne; Demeshko, Serhiy; Lehnert, Nicolai; Meyer, Franc","Reductive Transformations of a Pyrazolate-Based Bioinspired Diiron-Dinitrosyl Complex.","Inorganic chemistry","2016","55","21","11538","11550","10.1021/acs.inorgchem.6b02080","","","0.71073","MoKα","","0.0494","0.0372","","","0.0988","0.1034","","","","","","1.051","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4349191","22.543","0.005","24.369","0.005","24.845","0.005","97.049","0.002","114.107","0.001","111.849","0.002","10939","4","153","2","153","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","RhMOP_H_DMPU_153K","","- C192 H96 O120 Rh24 -","- C192 H96 O120 Rh24 -","- C192 H96 O120 Rh24 -","1","0.5","","Furukawa, Shuhei; Horike, Nao; Kondo, Mio; Hijikata, Yuh; Carné-Sánchez, Arnau; Larpent, Patrick; Louvain, Nicolas; Diring, Stéphane; Sato, Hiroshi; Matsuda, Ryotaro; Kawano, Ryuji; Kitagawa, Susumu","Rhodium-Organic Cuboctahedra as Porous Solids with Strong Binding Sites.","Inorganic chemistry","2016","55","21","10843","10846","10.1021/acs.inorgchem.6b02091","","","0.71069","MoKα","","0.1138","0.0698","","","0.1654","0.1934","","","","","","0.866","","","","has coordinates","233685","2020-10-21","18:00:00",""
"4349192","14.906","0.002","14.906","0.002","14.906","0.002","90","","90","","90","","3311.9","0.8","173","","173","","","","","","","","","7","P m -3","-P 2 2 3","200","","Tris(bis(acetonitrile)-tetraaqua nickel (II))-tetrakis(μ~3~-oxo)-tetrakis(μ~3~-hydroxo) dodecakis(μ-κ^1^:κ^1^trifluoroacetato) hexakisbismuth water solvate","","- C42 H66 Bi6 F36 N6 Ni3 O64 -","- C42 H66 Bi6 F36 N6 Ni3 O64 -","- C42 H66 Bi6 F36 N6 Ni3 O64 -","1","0.0416667","","Loera Fernandez, Ismael I.; Donaldson, Samantha L.; Schipper, Desmond E.; Andleeb, Sohaila; Whitmire, Kenton H.","Anionic Bismuth-Oxido Carboxylate Clusters with Transition Metal Countercations.","Inorganic chemistry","2016","55","21","11560","11569","10.1021/acs.inorgchem.6b02092","","","0.71073","MoKα","","0.0442","0.041","","","0.1205","0.1227","","","","","","1.212","","","","has coordinates","233689","2020-10-21","18:00:00",""
"4349193","14.8825","0.0003","14.8825","0.0003","14.8825","0.0003","90","","90","","90","","3296.31","0.12","173","","173","","","","","","","","","7","P m -3","-P 2 2 3","200","","Tris(bis(acetonitrile)-tetraaqua cobalt (II))-tetrakis(μ~3~-oxo)-tetrakis(μ~3~-hydroxo) dodecakis(μ-κ^1^:κ^1^trifluoroacetato) hexakisbismuth(III) water solvate","","- C42 H66 Bi6 Co3 F36 N6 O64 -","- C42 H66 Bi6 Co3 F36 N6 O64 -","- C42 H66 Bi6 Co3 F36 N6 O64 -","1","0.0416667","","Loera Fernandez, Ismael I.; Donaldson, Samantha L.; Schipper, Desmond E.; Andleeb, Sohaila; Whitmire, Kenton H.","Anionic Bismuth-Oxido Carboxylate Clusters with Transition Metal Countercations.","Inorganic chemistry","2016","55","21","11560","11569","10.1021/acs.inorgchem.6b02092","","","0.71073","MoKα","","0.0558","0.048","","","0.1393","0.1452","","","","","","1.109","","","","has coordinates","233689","2020-10-21","18:00:00",""
"4349194","11.538","0.002","24.701","0.004","21.852","0.004","90","","99.324","0.002","90","","6145.5","1.8","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 Bi4 Co F30 N6 O22 -","- C32 H18 Bi4 Co F30 N6 O22 -","- C128 H72 Bi16 Co4 F120 N24 O88 -","4","1","","Loera Fernandez, Ismael I.; Donaldson, Samantha L.; Schipper, Desmond E.; Andleeb, Sohaila; Whitmire, Kenton H.","Anionic Bismuth-Oxido Carboxylate Clusters with Transition Metal Countercations.","Inorganic chemistry","2016","55","21","11560","11569","10.1021/acs.inorgchem.6b02092","","","0.71073","MoKα","","0.1006","0.0508","","","0.1041","0.1424","","","","","","1.135","","","","has coordinates,has disorder","233689","2020-10-21","18:00:00",""
"4349195","11.382","0.004","22.18","0.007","15.021","0.005","90","","94.319","0.004","90","","3781","2","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14.25 Bi2 Co0.5 F21 N O18 -","- C21 H14.26 Bi2 Co0.5 F21 N O18 -","- C84 H57.04 Bi8 Co2 F84 N4 O72 -","4","1","","Loera Fernandez, Ismael I.; Donaldson, Samantha L.; Schipper, Desmond E.; Andleeb, Sohaila; Whitmire, Kenton H.","Anionic Bismuth-Oxido Carboxylate Clusters with Transition Metal Countercations.","Inorganic chemistry","2016","55","21","11560","11569","10.1021/acs.inorgchem.6b02092","","","0.71073","MoKα","","0.0591","0.045","","","0.0951","0.1035","","","","","","1.129","","","","has coordinates,has disorder","233689","2020-10-21","18:00:00",""
"4349196","10.054","0.003","12.97","0.004","15.296","0.005","104.175","0.004","103.337","0.003","90.791","0.001","1876.5","1","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H24 Bi4 Cu2 F36 N8 O26 -","- C40 H26 Bi4 Cu2 F36 N8 O26 -","- C40 H26 Bi4 Cu2 F36 N8 O26 -","1","0.5","","Loera Fernandez, Ismael I.; Donaldson, Samantha L.; Schipper, Desmond E.; Andleeb, Sohaila; Whitmire, Kenton H.","Anionic Bismuth-Oxido Carboxylate Clusters with Transition Metal Countercations.","Inorganic chemistry","2016","55","21","11560","11569","10.1021/acs.inorgchem.6b02092","","","0.71073","MoKα","","0.0434","0.0356","","","0.0889","0.0938","","","","","","1.025","","","","has coordinates,has disorder","233689","2020-10-21","18:00:00",""
"4349197","9.429","0.003","13.001","0.005","13.971","0.005","113.359","0.005","96.626","0.002","96.678","0.003","1536.9","0.9","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Bi2 F18 N O13 -","- C16 H13 Bi2 F18 N O13 -","- C32 H26 Bi4 F36 N2 O26 -","2","1","","Loera Fernandez, Ismael I.; Donaldson, Samantha L.; Schipper, Desmond E.; Andleeb, Sohaila; Whitmire, Kenton H.","Anionic Bismuth-Oxido Carboxylate Clusters with Transition Metal Countercations.","Inorganic chemistry","2016","55","21","11560","11569","10.1021/acs.inorgchem.6b02092","","","0.71073","MoKα","","0.0479","0.0393","","","0.092","0.0982","","","","","","1.059","","","","has coordinates","233689","2020-10-21","18:00:00",""
"4349198","18.84","0.007","8.964","0.003","19.456","0.007","90","","114.02","0.004","90","","3001.2","1.9","178","","178","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Bi Co N8 O22 -","- C14 H21.9998 Bi Co N7.9998 O22.0002 -","- C56 H87.9992 Bi4 Co4 N31.9992 O88.0008 -","4","0.5","","Loera Fernandez, Ismael I.; Donaldson, Samantha L.; Schipper, Desmond E.; Andleeb, Sohaila; Whitmire, Kenton H.","Anionic Bismuth-Oxido Carboxylate Clusters with Transition Metal Countercations.","Inorganic chemistry","2016","55","21","11560","11569","10.1021/acs.inorgchem.6b02092","","","0.71073","MoKα","","0.0489","0.0386","","","0.0871","0.0983","","","","","","1.094","","","","has coordinates","233689","2020-10-21","18:00:00",""
"4349199","19.183","0.005","8.229","0.002","21.938","0.007","90","","103.23","0.007","90","","3371.2","1.6","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H66 F6 Fe2 N12 O8 S2 -","- C66 H66 F6 Fe2 N12 O8 S2 -","- C132 H132 F12 Fe4 N24 O16 S4 -","2","0.5","","van der Meer, Margarethe; Rechkemmer, Yvonne; Breitgoff, Frauke D.; Marx, Raphael; Neugebauer, Petr; Frank, Uta; van Slageren, Joris; Sarkar, Biprajit","Multiple Bistability in Quinonoid-Bridged Diiron(II) Complexes: Influence of Bridge Symmetry on Bistable Properties.","Inorganic chemistry","2016","55","22","11944","11953","10.1021/acs.inorgchem.6b02097","","","0.71073","MoKα","","0.1258","0.0517","","","0.1093","0.1524","","","","","","1.051","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349200","12.219","0.004","13.352","0.004","20.302","0.007","102.612","0.007","95.369","0.008","101.673","0.008","3132.4","1.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H55 Cl6 F6 Fe2 N9 O9 S2 -","- C56 H55 Cl6 F6 Fe2 N9 O9 S2 -","- C112 H110 Cl12 F12 Fe4 N18 O18 S4 -","2","1","","van der Meer, Margarethe; Rechkemmer, Yvonne; Breitgoff, Frauke D.; Marx, Raphael; Neugebauer, Petr; Frank, Uta; van Slageren, Joris; Sarkar, Biprajit","Multiple Bistability in Quinonoid-Bridged Diiron(II) Complexes: Influence of Bridge Symmetry on Bistable Properties.","Inorganic chemistry","2016","55","22","11944","11953","10.1021/acs.inorgchem.6b02097","","","0.71073","MoKα","","0.1253","0.0896","","","0.2428","0.2758","","","","","","0.993","","","","has coordinates,has disorder","233693","2020-10-21","18:00:00",""
"4349201","14.049","0.002","23.107","0.003","14.788","0.002","90","","95.085","0.004","90","","4781.7","1.1","123","","123","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C55 H41 Au4 N4 O2 -","- C54 H40 Au4 N4 O -","- C216 H160 Au16 N16 O4 -","4","0.5","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.0625","0.0427","","","0.0796","0.0903","","","","","","1.069","","","","has coordinates,has disorder","233696","2020-10-21","18:00:00",""
"4349202","14.5267","0.0012","22.4381","0.0019","14.9342","0.0016","90","0.004","97.384","0.004","90","0.007","4827.5","0.8","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28 H21 Au2 N3 -","- C28 H21 Au2 N3 -","- C224 H168 Au16 N24 -","8","1","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.0768","0.0546","","","0.1058","0.1172","","","","","","1.063","","","","has coordinates,has disorder","233698","2020-10-21","18:00:00",""
"4349203","15.6589","0.0007","21.6542","0.001","15.3795","0.0006","90","","90","","90","","5214.9","0.4","123","","123","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H19 Au2 Cl3 N2 -","- C27 H19 Au2 Cl3 N2 -","- C216 H152 Au16 Cl24 N16 -","8","1","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.054","0.0362","","","0.0887","0.0972","","","","","","1.011","","","","has coordinates","233700","2020-10-21","18:00:00",""
"4349204","13.946","0.003","22.946","0.004","14.767","0.003","90","0.008","94.872","0.009","90","0.016","4708.4","1.6","123","","123","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C55 H43 Au4 N5 O -","- C55 H43 Au4 N5 O -","- C220 H172 Au16 N20 O4 -","4","0.5","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.1585","0.0798","","","0.1859","0.2505","","","","","","1.081","","","","has coordinates,has disorder","233702","2020-10-21","18:00:00",""
"4349205","14.3746","0.0013","22.3016","0.0017","15.6172","0.0016","90","","94.317","0.008","90","","4992.3","0.8","123","","123","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C27 H20 Au2 Br2 N2 -","- C27 H20 Au2 Br2 N2 -","- C216 H160 Au16 Br16 N16 -","8","1","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.174","0.087","","","0.2033","0.2665","","","","","","0.994","","","","has coordinates","233704","2020-10-21","18:00:00",""
"4349206","14.3824","0.0008","22.3603","0.0009","15.4312","0.0007","90","0.005","94.258","0.003","90","0.003","4948.9","0.4","123","","123","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C27 H18 Au2 Cl2 N2 -","- C27 H20 Au2 Cl2 N2 -","- C216 H160 Au16 Cl16 N16 -","8","1","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.0861","0.0518","","","0.1018","0.1345","","","","","","1.083","","","","has coordinates","233706","2020-10-21","18:00:00",""
"4349207","13.9136","0.0009","14.8769","0.0009","15.0369","0.0009","78.416","0.003","65.9278","0.0014","63.373","0.005","2539.8","0.3","123","","123","","","","","","","","","5","P 1","P 1","1","","","","- C29 H24 Au2 N2 O -","- C29 H23.75 Au2 N2 O -","- C116 H95 Au8 N8 O4 -","4","4","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.099","0.0843","","","0.2274","0.251","","","","","","1.1","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4349208","14.2069","0.0014","22.8755","0.0017","14.8349","0.0011","90","0.007","95.445","0.004","90","0.004","4799.4","0.7","123","","123","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C107 H78 Au8 N8 O -","- C107 H78 Au8 N8 O -","- C214 H156 Au16 N16 O2 -","2","0.25","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.1184","0.086","","","0.2106","0.2474","","","","","","1.045","","","","has coordinates,has disorder","233710","2020-10-21","18:00:00",""
"4349209","14.0825","0.0019","13.9789","0.0014","21.934","0.002","90","0.009","92.577","0.006","90","0.006","4313.5","0.8","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H18 Au2 N2 -","- C26 H18 Au2 N2 -","- C208 H144 Au16 N16 -","8","1","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.1954","0.0925","","","0.2198","0.2856","","","","","","1.017","","","","has coordinates","233712","2020-10-21","18:00:00",""
"4349210","13.6877","0.0011","26.0965","0.0017","26.9019","0.0019","90","","90.5498","0.0019","90","","9608.9","1.2","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C217 H162 Au16 N16 O3 -","- C217 H162 Au16 N16 O3 -","- C434 H324 Au32 N32 O6 -","2","0.5","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.2715","0.0934","","","0.2056","0.2736","","","","","","0.903","","","","has coordinates,has disorder","233714","2020-10-21","18:00:00",""
"4349211","14.126","0.002","22.8906","0.0011","14.886","0.0006","90","","95.518","0.009","90","","4791.1","0.7","123","","123","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C56 H45 Au4 N5 O -","- C56 H45 Au4 N5 O -","- C224 H180 Au16 N20 O4 -","4","0.5","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.0678","0.0395","","","0.0616","0.0672","","","","","","1.011","","","","has coordinates,has disorder","233716","2020-10-21","18:00:00",""
"4349212","14.0428","0.0011","22.697","0.0014","15.0676","0.0012","90","","95.697","0.006","90","","4778.8","0.6","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28.5 H20.5 Au2 N2.5 -","- C28.5 H20.5 Au2 N2.5 -","- C228 H164 Au16 N20 -","8","1","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.1628","0.0734","","","0.1621","0.2274","","","","","","1.048","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4349213","23.784","0.003","14.1842","0.0017","47.521","0.006","90","","94.466","0.005","90","","15983","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H78 Na9 Nb14 O85 V -","- C2 Na9 Nb14 O85 V -","- C16 Na72 Nb112 O680 V8 -","8","1","","Abramov, Pavel A.; Davletgildeeva, Anastasiia T.; Moroz, Nikolay K.; Kompankov, Nikolay B.; Santiago-Schübel, Beatrix; Sokolov, Maxim N.","Cation-Dependent Self-assembly of Vanadium Polyoxoniobates.","Inorganic chemistry","2016","55","24","12807","12814","10.1021/acs.inorgchem.6b02108","","x-ray","0.71073","MoKα","","0.0918","0.0576","","","0.1383","0.1558","","","","","","1.03","","","","has coordinates","233721","2020-10-21","18:00:00",""
"4349214","16.1367","0.0007","16.1556","0.0007","26.435","0.001","75.336","0.004","81.745","0.004","60.054","0.004","5775.8","0.5","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- H0 K5.5 Na2 Nb24 O93 V4 -","- K5.5 Na2 Nb24 O93 V4 -","- K11 Na4 Nb48 O186 V8 -","2","1","","Abramov, Pavel A.; Davletgildeeva, Anastasiia T.; Moroz, Nikolay K.; Kompankov, Nikolay B.; Santiago-Schübel, Beatrix; Sokolov, Maxim N.","Cation-Dependent Self-assembly of Vanadium Polyoxoniobates.","Inorganic chemistry","2016","55","24","12807","12814","10.1021/acs.inorgchem.6b02108","","x-ray","0.71073","MoKα","","0.1729","0.135","","","0.3489","0.3656","","","","","","1.099","","","","has coordinates","233723","2020-10-21","18:00:00",""
"4349215","19.5228","0.0003","14.08918","0.00016","15.5331","0.00019","90","","111.071","0.0014","90","","3986.85","0.1","100","10","100","10","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H59 Mg N4 O -","- C45 H59 Mg N4 O -","- C180 H236 Mg4 N16 O4 -","4","1","","Ren, Wenshan; Gu, Defa","An Azobenzenyl Anion Radical Complex of Magnesium: Synthesis, Structure, and Reactivity Studies.","Inorganic chemistry","2016","55","22","11962","11970","10.1021/acs.inorgchem.6b02114","","x-ray","1.54184","CuKα","","0.0449","0.041","","","0.1036","0.1067","","","","","","1.024","","","","has coordinates","233726","2020-10-21","18:00:00",""
"4349216","9.04403","0.00016","12.1845","0.0002","19.1417","0.0003","74.7495","0.0015","78.1","0.0015","85.118","0.0015","1990.28","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H62 Mg N2 O2 S -","- C43 H62 Mg N2 O2 S -","- C86 H124 Mg2 N4 O4 S2 -","2","1","","Ren, Wenshan; Gu, Defa","An Azobenzenyl Anion Radical Complex of Magnesium: Synthesis, Structure, and Reactivity Studies.","Inorganic chemistry","2016","55","22","11962","11970","10.1021/acs.inorgchem.6b02114","","","1.54184","CuKα","","0.0681","0.0651","","","0.1705","0.1731","","","","","","1.043","","","","has coordinates,has disorder","233726","2020-10-21","18:00:00",""
"4349217","9.05626","0.00017","12.2084","0.0002","19.1962","0.0004","74.9102","0.0016","77.2349","0.0016","85.4764","0.0015","1998.04","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H62 Mg N2 O2 Se -","- C43 H62 Mg N2 O2 Se -","- C86 H124 Mg2 N4 O4 Se2 -","2","1","","Ren, Wenshan; Gu, Defa","An Azobenzenyl Anion Radical Complex of Magnesium: Synthesis, Structure, and Reactivity Studies.","Inorganic chemistry","2016","55","22","11962","11970","10.1021/acs.inorgchem.6b02114","","","1.54184","CuKα","","0.0529","0.0521","","","0.1352","0.1359","","","","","","1.04","","","","has coordinates,has disorder","233726","2020-10-21","18:00:00",""
"4349218","24.5406","0.0003","13.9662","0.0001","23.0002","0.0002","90","","117.498","0.001","90","","6992.49","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C132 H198 Mg4 N8 O4 S4 -","- C132 H198 Mg4 N8 O4 S4 -","- C264 H396 Mg8 N16 O8 S8 -","2","0.5","","Ren, Wenshan; Gu, Defa","An Azobenzenyl Anion Radical Complex of Magnesium: Synthesis, Structure, and Reactivity Studies.","Inorganic chemistry","2016","55","22","11962","11970","10.1021/acs.inorgchem.6b02114","","","1.54184","CuKα","","0.0771","0.0716","","","0.1938","0.2004","","","","","","1.03","","","","has coordinates,has disorder","233726","2020-10-21","18:00:00",""
"4349219","8.67175","0.00008","14.51053","0.00013","22.1269","0.0002","90","","90","","90","","2784.27","0.04","100","10","100","10","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Mg N5 -","- C29 H41 Mg N5 -","- C116 H164 Mg4 N20 -","4","1","","Ren, Wenshan; Gu, Defa","An Azobenzenyl Anion Radical Complex of Magnesium: Synthesis, Structure, and Reactivity Studies.","Inorganic chemistry","2016","55","22","11962","11970","10.1021/acs.inorgchem.6b02114","","x-ray","1.54184","CuKα","","0.0344","0.0336","","","0.0886","0.0892","","","","","","1.051","","","","has coordinates","233726","2020-10-21","18:00:00",""
"4349220","21.6265","0.0005","15.0148","0.0002","23.805","0.0005","90","","118.58","0.003","90","","6788","0.3","100","10","100","10","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H100 Mg2 N8 Si2 -","- C66 H100 Mg2 N8 Si2 -","- C264 H400 Mg8 N32 Si8 -","4","0.5","","Ren, Wenshan; Gu, Defa","An Azobenzenyl Anion Radical Complex of Magnesium: Synthesis, Structure, and Reactivity Studies.","Inorganic chemistry","2016","55","22","11962","11970","10.1021/acs.inorgchem.6b02114","","x-ray","1.54184","CuKα","","0.0411","0.0388","","","0.102","0.1039","","","","","","1.029","","","","has coordinates","233726","2020-10-21","18:00:00",""
"4349221","32.843","0.006","21.455","0.004","19.126","0.004","90","","90","","90","","13477","5","100","","100","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- K11 O128 P5 W30 -","- K11 O128 P5 W30 -","- K44 O512 P20 W120 -","4","0.5","","Hayashi, Akio; Ota, Hiromi; López, Xavier; Hiyoshi, Norihito; Tsunoji, Nao; Sano, Tsuneji; Sadakane, Masahiro","Encapsulation of Two Potassium Cations in Preyssler-Type Phosphotungstates: Preparation, Structural Characterization, Thermal Stability, Activity as an Acid Catalyst, and HAADF-STEM Images.","Inorganic chemistry","2016","55","21","11583","11592","10.1021/acs.inorgchem.6b02116","","","0.71075","MoKα","","0.1138","0.1038","","","0.2165","0.2224","","","","","","1.218","","","","has coordinates","233728","2020-10-21","18:00:00",""
"4349222","22.601","0.009","30.731","0.013","28.208","0.012","90","","94.47","0.007","90","","19532","14","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H120 K2 O130 P5 S20 W30 -","- C40 K2 O130 P5 S20 W30 -","- C160 K8 O520 P20 S80 W120 -","4","0.5","","Hayashi, Akio; Ota, Hiromi; López, Xavier; Hiyoshi, Norihito; Tsunoji, Nao; Sano, Tsuneji; Sadakane, Masahiro","Encapsulation of Two Potassium Cations in Preyssler-Type Phosphotungstates: Preparation, Structural Characterization, Thermal Stability, Activity as an Acid Catalyst, and HAADF-STEM Images.","Inorganic chemistry","2016","55","21","11583","11592","10.1021/acs.inorgchem.6b02116","","","0.71075","MoKα","","0.0466","0.04","","","0.0915","0.0952","","","","","","1.066","","","","has coordinates,has disorder","233730","2020-10-21","18:00:00",""
"4349223","12.9902","0.0002","12.9902","0.0002","13.8863","0.0004","90","","90","","120","","2029.31","0.07","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","AXZ-2(I)","","","- C12 H27 Ag3 I6 N4 -","- C12 H27 Ag3 I6 N4 -","- C36 H81 Ag9 I18 N12 -","3","0.166667","","Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin","Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.","Inorganic chemistry","2016","55","21","11593","11599","10.1021/acs.inorgchem.6b02121","","","0.71073","MoKα","","0.0191","0.0189","","","0.0465","0.0466","","","","","","1.034","","","","has coordinates","233732","2020-10-21","18:00:00",""
"4349224","13.0556","0.0002","13.0556","0.0002","14.1761","0.0004","90","","90","","120","","2092.58","0.07","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","AXZ-3(I)","","","- C12 H25 Ag4 I6 N4 -","- C12 H25 Ag4 I6 N4 -","- C36 H75 Ag12 I18 N12 -","3","0.166667","","Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin","Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.","Inorganic chemistry","2016","55","21","11593","11599","10.1021/acs.inorgchem.6b02121","","","0.71073","MoKα","","0.0574","0.0572","","","0.1536","0.1538","","","","","","1.013","","","","has coordinates","233734","2020-10-21","18:00:00",""
"4349225","13.0088","0.0004","13.0088","0.0004","13.9137","0.001","90","","90","","120","","2039.14","0.17","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","AXZ-2(I)","","","- C12 H27 Ag3 I6 N4 -","- C12 H27 Ag3 I6 N4 -","- C36 H81 Ag9 I18 N12 -","3","0.166667","","Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin","Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.","Inorganic chemistry","2016","55","21","11593","11599","10.1021/acs.inorgchem.6b02121","","","0.71073","MoKα","","0.0211","0.0205","","","0.0504","0.0509","","","","","","1.065","","","","has coordinates","233736","2020-10-21","18:00:00",""
"4349226","12.3313","0.0003","12.3313","0.0003","13.5163","0.0006","90","","90","","120","","1779.94","0.1","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","AXZ-1(Br)","","","- C12 H27 Ag3 Br6 N4 -","- C12 H27 Ag3 Br6 N4 -","- C36 H81 Ag9 Br18 N12 -","3","0.166667","","Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin","Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.","Inorganic chemistry","2016","55","21","11593","11599","10.1021/acs.inorgchem.6b02121","","","0.71073","MoKα","","0.0255","0.0245","","","0.0566","0.0569","","","","","","1.048","","","","has coordinates","233737","2020-10-21","18:00:00",""
"4349227","13.0576","0.0003","13.0576","0.0003","14.1692","0.0008","90","","90","","120","","2092.2","0.14","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","AXZ-3(I)","","","- C12 H25 Ag4 I6 N4 -","- C12 H25 Ag4 I6 N4 -","- C36 H75 Ag12 I18 N12 -","3","0.166667","","Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin","Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.","Inorganic chemistry","2016","55","21","11593","11599","10.1021/acs.inorgchem.6b02121","","","0.71073","MoKα","","0.0349","0.0336","","","0.1138","0.125","","","","","","1.064","","","","has coordinates","233739","2020-10-21","18:00:00",""
"4349228","12.3368","0.0009","12.3368","0.0009","13.5135","0.0018","90","","90","","120","","1781.2","0.3","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","AXZ-1(Br)","","","- C12 H27 Ag3 Br6 N4 -","- C12 H27 Ag3 Br6 N4 -","- C36 H81 Ag9 Br18 N12 -","3","0.166667","","Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin","Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.","Inorganic chemistry","2016","55","21","11593","11599","10.1021/acs.inorgchem.6b02121","","","0.71073","MoKα","","0.0219","0.0201","","","0.0483","0.0488","","","","","","1.03","","","","has coordinates","233740","2020-10-21","18:00:00",""
"4349229","10.0857","0.0003","10.0857","0.0003","7.2134","0.0004","90","","90","","120","","635.45","0.04","296","2","296","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C6 H14 N5 O10 -","- C6 H17 N5 O10 -","- C12 H34 N10 O20 -","2","0.333333","","Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin","Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.","Inorganic chemistry","2016","55","21","11593","11599","10.1021/acs.inorgchem.6b02121","","","0.71073","MoKα","","0.0367","0.0362","","","0.0893","0.09","","","","","","1.061","","","","has coordinates","233743","2020-10-21","18:00:00",""
"4349230","10.3198","0.0004","19.0859","0.0007","22.2086","0.0009","90","","100.516","0.002","90","","4300.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","OReCl2(BDI)(DMAP)","","","- C36 H51 Cl2 N4 O Re -","- C36 H51 Cl2 N4 O Re -","- C144 H204 Cl8 N16 O4 Re4 -","4","1","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Oxygen Atom Transfer and Intramolecular Nitrene Transfer in a Rhenium β-Diketiminate Complex.","Inorganic chemistry","2016","55","22","11993","12000","10.1021/acs.inorgchem.6b02122","","","0.71073","MoKα","","0.0836","0.0417","","","0.0778","0.0912","","","","","","1.021","","","","has coordinates","233745","2020-10-21","18:00:00",""
"4349231","9.8643","0.0007","22.9718","0.0019","17.4389","0.0014","90","","93.44","0.004","90","","3944.5","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","OReCl2(BDI)(PEt3)","","","- C38 H63 Cl2 N2 O P Re -","- C38 H63 Cl2 N2 O P Re -","- C152 H252 Cl8 N8 O4 P4 Re4 -","4","1","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Oxygen Atom Transfer and Intramolecular Nitrene Transfer in a Rhenium β-Diketiminate Complex.","Inorganic chemistry","2016","55","22","11993","12000","10.1021/acs.inorgchem.6b02122","","","0.71073","MoKα","","0.0544","0.0378","","","0.0808","0.0894","","","","","","1.029","","","","has coordinates","233746","2020-10-21","18:00:00",""
"4349232","8.874","0.004","18.951","0.009","20.467","0.009","90","","90","","90","","3442","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","OReCl2(BDI)","","","- C33 H51 Cl2 N2 O2 Re -","- C33 H51 Cl2 N2 O2 Re -","- C132 H204 Cl8 N8 O8 Re4 -","4","1","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Oxygen Atom Transfer and Intramolecular Nitrene Transfer in a Rhenium β-Diketiminate Complex.","Inorganic chemistry","2016","55","22","11993","12000","10.1021/acs.inorgchem.6b02122","","","0.7749","synchrotron","","0.028","0.0255","","","0.0583","0.0591","","","","","","1.071","","","","has coordinates","288178","2023-12-08","09:51:07",""
"4349233","12.029","0.002","14.262","0.003","22.8","0.005","107.39","0.03","105.24","0.03","90.02","0.03","3588.2","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(DippN)ReCl2(MAD)(PEt3)","","","- C35 H56 Cl2 N2 P Re -","- C35 H56 Cl2 N2 P Re -","- C140 H224 Cl8 N8 P4 Re4 -","4","2","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Oxygen Atom Transfer and Intramolecular Nitrene Transfer in a Rhenium β-Diketiminate Complex.","Inorganic chemistry","2016","55","22","11993","12000","10.1021/acs.inorgchem.6b02122","","","0.7749","synchrotron","","0.0515","0.0495","","","0.1494","0.1524","","","","","","1.16","","","","has coordinates","233749","2020-10-21","18:00:00",""
"4349234","10.4422","0.001","6.859","0.0007","29.249","0.003","90","","95.909","0.002","90","","2083.8","0.4","100","2","100.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 N3 O3 -","- C27 H15 N3 O3 -","- C108 H60 N12 O12 -","4","1","","Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Flexible Porous Coordination Polymers from Divergent Photoluminescent 4-Oxo-1,8-naphthalimide Ligands.","Inorganic chemistry","2016","55","21","11570","11582","10.1021/acs.inorgchem.6b02137","","","0.71073","MoKα","","0.1169","0.0515","","","0.1001","0.1203","","","","","","1.005","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349235","4.4466","0.0004","39.39","0.003","31.168","0.002","90","","90.755","0.002","90","","5458.7","0.7","100","2","100.02","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H30 Ag B F4 N6 O6 -","- C54 H30 Ag B F4 N6 O6 -","- C216 H120 Ag4 B4 F16 N24 O24 -","4","0.5","","Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Flexible Porous Coordination Polymers from Divergent Photoluminescent 4-Oxo-1,8-naphthalimide Ligands.","Inorganic chemistry","2016","55","21","11570","11582","10.1021/acs.inorgchem.6b02137","","","0.71073","MoKα","","0.1148","0.0764","","","0.2132","0.2352","","","","","","1.078","","","","has coordinates,has disorder","233751","2020-10-21","18:00:00",""
"4349236","6.8306","0.0009","10.792","0.0013","20.523","0.003","88.621","0.003","88.801","0.003","80.851","0.003","1493","0.3","100","2","100.02","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H31 Cu N3 O10 -","- C33 H31 Cu N3 O10 -","- C66 H62 Cu2 N6 O20 -","2","1","","Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Flexible Porous Coordination Polymers from Divergent Photoluminescent 4-Oxo-1,8-naphthalimide Ligands.","Inorganic chemistry","2016","55","21","11570","11582","10.1021/acs.inorgchem.6b02137","","","0.71073","MoKα","","0.1177","0.0516","","","0.1037","0.1229","","","","","","0.982","","","","has coordinates,has disorder","233751","2020-10-21","18:00:00",""
"4349237","37.4447","0.001","7.347","0.0002","23.1978","0.0006","90","","90","","90","","6381.9","0.3","100","2","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C57 H37 Cd2 N3 O17 -","- C57 H37 Cd2 N3 O17 -","- C228 H148 Cd8 N12 O68 -","4","0.5","","Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Flexible Porous Coordination Polymers from Divergent Photoluminescent 4-Oxo-1,8-naphthalimide Ligands.","Inorganic chemistry","2016","55","21","11570","11582","10.1021/acs.inorgchem.6b02137","","","0.71073","MoKα","","0.1553","0.1183","","","0.3186","0.3496","","","","","","1.075","","","","has coordinates","233751","2020-10-21","18:00:00",""
"4349238","40.5139","0.0015","7.2658","0.0003","18.5724","0.0008","90","","90","","90","","5467.1","0.4","100","2","100.01","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C29 H18 Cd N2 O8 -","- C29 H18 Cd N2 O8 -","- C232 H144 Cd8 N16 O64 -","8","1","","Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Flexible Porous Coordination Polymers from Divergent Photoluminescent 4-Oxo-1,8-naphthalimide Ligands.","Inorganic chemistry","2016","55","21","11570","11582","10.1021/acs.inorgchem.6b02137","","","0.71073","MoKα","","0.1847","0.0891","","","0.1929","0.2357","","","","","","1.023","","","","has coordinates,has disorder","233751","2020-10-21","18:00:00",""
"4349239","14.525","0.007","40.69","0.02","30.898","0.015","90","","101.498","0.008","90","","17895","15","273","2","273.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C132 H164 Cd4 Cu4 N12 O28 -","- C132 H164 Cd4 Cu4 N12 O28 -","- C528 H656 Cd16 Cu16 N48 O112 -","4","1","","Liu, Yan; Li, Zijian; Yuan, Guozan; Xia, Qingchun; Yuan, Chen; Cui, Yong","Chiral Cu(salen)-Based Metal-Organic Framework for Heterogeneously Catalyzed Aziridination and Amination of Olefins.","Inorganic chemistry","2016","55","24","12500","12503","10.1021/acs.inorgchem.6b02151","","","0.71073","MoKα","","0.2018","0.0794","","","0.1636","0.2236","","","","","","0.897","","","","has coordinates","233754","2020-10-21","18:00:00",""
"4349240","11.7544","0.0005","14.9885","0.0006","23.5529","0.0008","90","","93.7293","0.0012","90","","4140.8","0.3","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H49 Cl5 Co2 N12 O2 -","- C32 H49 Cl5 Co2 N12 O2 -","- C128 H196 Cl20 Co8 N48 O8 -","4","1","","Tsitovich, Pavel B.; Cox, Jordan M.; Spernyak, Joseph A.; Morrow, Janet R.","Gear Up for a pH Shift: A Responsive Iron(II) 2-Amino-6-picolyl-Appended Macrocyclic paraCEST Agent That Protonates at a Pendent Group.","Inorganic chemistry","2016","55","22","12001","12010","10.1021/acs.inorgchem.6b02159","","x-ray","0.71073","MoKα","","0.0694","0.0524","","","0.1368","0.144","","","","","","1.055","","","","has coordinates","233756","2020-10-21","18:00:00",""
"4349241","37.916","0.013","21.039","0.007","28.447","0.01","90","","113.692","0.004","90","","20780","12","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H158 Co12 Mo12 N21 O132 P23 -","- C91 H101 Co12 Mo12 N21 O132 P23 -","- C364 H404 Co48 Mo48 N84 O528 P92 -","4","0.5","","Dong, Yayu; Hu, Gonghao; Miao, Hao; He, Xingxiang; Fang, Min; Xu, Yan","An Unprecedented M-O Cluster Constructed from Nanosized {[C<sub>5</sub>NH<sub>5</sub>]<sub>9</sub>[H<sub>31</sub>Mo<sup>V</sup><sub>12</sub>O<sub>24</sub>Co<sup>II</sup><sub>12</sub>(PO<sub>4</sub>)<sub>23</sub>(H<sub>2</sub>O)<sub>4</sub>]}<sup>2-</sup> Anions Exhibiting Interesting Nonlinear-Optical Properties.","Inorganic chemistry","2016","55","22","11621","11625","10.1021/acs.inorgchem.6b02160","","","0.71073","MoKα","","0.0694","0.0486","","","0.1575","0.1704","","","","","","1.094","","","","has coordinates,has disorder","233759","2020-10-21","18:00:00",""
"4349242","9.338","0.0003","10.1722","0.0004","11.1302","0.0004","76.672","0.002","72.971","0.002","78.55","0.002","973.86","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N P -","- C25 H20 N P -","- C50 H40 N2 P2 -","2","1","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.069","0.0462","","","0.1105","0.1235","","","","","","1.036","","","","has coordinates","233762","2020-10-21","18:00:00",""
"4349243","27.1852","0.0009","14.1411","0.0005","18.5024","0.0005","90","","91.721","0.002","90","","7109.6","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 N4 P2 -","- C41 H36 N4 P2 -","- C328 H288 N32 P16 -","8","2","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.0886","0.0491","","","0.1131","0.1347","","","","","","1.011","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4349244","14.6941","0.0006","10.7497","0.0004","22.1216","0.0008","90","","96.391","0.002","90","","3472.5","0.2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 N2 P2 -","- C44 H38 N2.004 P2 -","- C176 H152 N8.016 P8 -","4","0.5","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.0527","0.0412","","","0.109","0.1186","","","","","","1.044","","","","has coordinates,has disorder","233762","2020-10-21","18:00:00",""
"4349245","8.8565","0.0004","21.3774","0.0009","24.1456","0.0009","90","","97.286","0.002","90","","4534.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H40 N5 P2 Sb -","- C53 H40 N5 P2 Sb -","- C212 H160 N20 P8 Sb4 -","4","1","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.1287","0.0496","","","0.0736","0.0935","","","","","","0.993","","","","has coordinates","233762","2020-10-21","18:00:00",""
"4349246","16.6501","0.0008","19.7649","0.0009","19.965","0.0009","90","","90","","90","","6570.2","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C77 H60 N7 P4 Sb -","- C77 H60 N7 P4 Sb -","- C308 H240 N28 P16 Sb4 -","4","0.5","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.1027","0.0495","","","0.1092","0.1364","","","","","","1.015","","","","has coordinates,has disorder","233762","2020-10-21","18:00:00",""
"4349247","14.217","0.0005","15.1544","0.0005","17.7507","0.0005","96.274","0.002","112.127","0.001","109.475","0.002","3217","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H60 Bi N6 P3 -","- C78 H60 Bi N6 P3 -","- C156 H120 Bi2 N12 P6 -","2","1","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.0403","0.0281","","","0.0545","0.0578","","","","","","1.028","","","","has coordinates,has disorder","233762","2020-10-21","18:00:00",""
"4349248","9.0391","0.0005","56.828","0.003","13.9215","0.0007","90","","108.905","0.003","90","","6765.4","0.6","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C79 H63 Bi N8 P4 -","- C79 H63 Bi N8 P4 -","- C316 H252 Bi4 N32 P16 -","4","1","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.078","0.0506","","","0.0734","0.0838","","","","","","0.935","","","","has coordinates","233762","2020-10-21","18:00:00",""
"4349249","16.66","0.0004","19.7295","0.0005","19.9862","0.0005","90","","90","","90","","6569.3","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C77 H60 Bi N7 P4 -","- C77 H60 Bi N7 P4 -","- C308 H240 Bi4 N28 P16 -","4","0.5","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.0875","0.0442","","","0.075","0.0871","","","","","","1.066","","","","has coordinates","233762","2020-10-21","18:00:00",""
"4349250","19.0495","0.0007","20.7536","0.0008","24.2348","0.0008","90","","90","","90","","9581.1","0.6","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C114 H90 Bi N9 P6 -","- C114 H90 Bi N9 P6 -","- C456 H360 Bi4 N36 P24 -","4","1","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.0939","0.0489","","","0.0887","0.1037","","","","","","1.008","","","","has coordinates","233762","2020-10-21","18:00:00",""
"4349253","12.1405","0.0004","18.8977","0.0007","13.1677","0.0005","90","","90","","90","","3021.03","0.19","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H32 F6 N4 O4 Ru -","- C32 H18 F6 N4 O4 Ru -","- C128 H72 F24 N16 O16 Ru4 -","4","1","","Shaffer, David W.; Xie, Yan; Szalda, David J.; Concepcion, Javier J.","Manipulating the Rate-Limiting Step in Water Oxidation Catalysis by Ruthenium Bipyridine-Dicarboxylate Complexes.","Inorganic chemistry","2016","55","22","12024","12035","10.1021/acs.inorgchem.6b02193","","","0.71073","MoKα","","0.0544","0.041","","","0.105","0.1094","","","","","","1.074","","","","has coordinates","233767","2020-10-21","18:00:00",""
"4349254","14.0455","0.0011","18.5907","0.0011","12.5395","0.0007","90","","118.838","0.003","90","","2868.2","0.3","250","2","250","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H18 F6 N4 O4 Ru -","- C32 H18 F6 N4 O4 Ru -","- C128 H72 F24 N16 O16 Ru4 -","4","1","","Shaffer, David W.; Xie, Yan; Szalda, David J.; Concepcion, Javier J.","Manipulating the Rate-Limiting Step in Water Oxidation Catalysis by Ruthenium Bipyridine-Dicarboxylate Complexes.","Inorganic chemistry","2016","55","22","12024","12035","10.1021/acs.inorgchem.6b02193","","","0.71073","MoKα","","0.1308","0.062","","","0.1011","0.1153","","","","","","0.973","","","","has coordinates","233769","2020-10-21","18:00:00",""
"4349255","15.576","0.002","9.2765","0.0014","14.088","0.003","90","","117.847","0.002","90","","1799.9","0.5","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H12 Br Cd N3 S3 -","- C16 H12 Br Cd N3 S3 -","- C64 H48 Br4 Cd4 N12 S12 -","4","1","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.048","0.0313","","","0.0582","0.0633","","","","","","0.958","","","","has coordinates,has disorder","233770","2020-10-21","18:00:00",""
"4349256","15.9718","0.0015","9.0439","0.0008","14.831","0.002","90","","120.205","0.0012","90","","1851.4","0.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C17 H13 Cd N3 O2 S3 -","- C17 H13 Cd N3 O2 S3 -","- C68 H52 Cd4 N12 O8 S12 -","4","1","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.0674","0.041","","","0.1046","0.1201","","","","","","1.041","","","","has coordinates,has disorder","233772","2020-10-21","18:00:00",""
"4349257","31.79","0.008","10.148","0.003","13.907","0.004","90","","111.394","0.004","90","","4177","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 Cd2 N8 O2 S6 -","- C40 H30 Cd2 N8 O2 S6 -","- C160 H120 Cd8 N32 O8 S24 -","4","0.5","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.0747","0.0471","","","0.1174","0.1323","","","","","","1.039","","","","has coordinates","233773","2020-10-21","18:00:00",""
"4349258","9.217","0.003","14.243","0.005","14.33","0.005","90","","92.782","0.005","90","","1879","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cd I N3 S3 -","- C16 H12 Cd I N3 S3 -","- C64 H48 Cd4 I4 N12 S12 -","4","1","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.107","0.0757","","","0.2182","0.2389","","","","","","1.023","","","","has coordinates,has disorder","233775","2020-10-21","18:00:00",""
"4349259","13.4871","0.0014","14.356","0.0015","15.1815","0.0016","74.481","0.002","73.363","0.002","87.447","0.002","2712.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cd N4 S3 Si2 -","- C22 H30 Cd N4 S3 Si2 -","- C88 H120 Cd4 N16 S12 Si8 -","4","2","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.2001","0.0622","","","0.0721","0.1017","","","","","","0.901","","","","has coordinates","233777","2020-10-21","18:00:00",""
"4349260","15.429","0.003","9.262","0.0018","14.154","0.003","90","","117.813","0.004","90","","1789","0.6","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H12 Cd Cl N3 S3 -","- C16 H12 Cd Cl N3 S3 -","- C64 H48 Cd4 Cl4 N12 S12 -","4","1","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.0403","0.0307","","","0.0699","0.0757","","","","","","0.866","","","","has coordinates,has disorder","233778","2020-10-21","18:00:00",""
"4349261","9.78","0.004","11.925","0.005","16.401","0.006","69.745","0.013","74.755","0.009","67.968","0.01","1643.9","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H66 Cd2 N6 O2 S6 Si2 -","- C62 H66 Cd2 N6 O2 S6 Si2 -","- C62 H66 Cd2 N6 O2 S6 Si2 -","1","0.5","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.1452","0.0622","","","0.0944","0.1168","","","","","","0.959","","","","has coordinates","233780","2020-10-21","18:00:00",""
"4349262","12.8867","0.0014","12.8867","0.0014","12.3936","0.0016","90","","90","","120","","1782.4","0.4","150","2","150","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C40 H33 Cd N3 O S3 Si -","- C39.9994 H32.9994 Cd N3 O S3 Si -","- C79.9988 H65.9988 Cd2 N6 O2 S6 Si2 -","2","0.333333","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.0454","0.0343","","","0.0758","0.0807","","","","","","1.036","","","","has coordinates,has disorder","233781","2020-10-21","18:00:00",""
"4349263","8.801","0.003","15.225","0.006","14.604","0.006","90","","99.722","0.007","90","","1928.8","1.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cd N3 O2 S3 -","- C18 H15 Cd N3 O2 S3 -","- C72 H60 Cd4 N12 O8 S12 -","4","1","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.1857","0.0759","","","0.106","0.1357","","","","","","1.01","","","","has coordinates","233783","2020-10-21","18:00:00",""
"4349264","10.3972","0.0005","29.1999","0.0015","10.9983","0.0006","90","","95.057","0.005","90","","3326.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 Cl N8 O5 Ru -","- C34 H29 Cl N8 O5 Ru -","- C136 H116 Cl4 N32 O20 Ru4 -","4","1","","Ghosh, Prabir; Banerjee, Soumyodip; Lahiri, Goutam Kumar","Ruthenium Derivatives of in Situ Generated Redox-Active 1,2-Dinitrosobenzene and 2-Nitrosoanilido. Diverse Structural and Electronic Forms.","Inorganic chemistry","2016","55","24","12832","12843","10.1021/acs.inorgchem.6b02197","","","0.71073","MoKα","","0.1009","0.0764","","","0.1713","0.1916","","","","","","1.062","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349265","10.4299","0.0003","13.0194","0.0003","27.5903","0.001","90","","96.489","0.003","90","","3722.51","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Cl5 N8 O7 Ru -","- C34 H26 Cl5 N8 O7 Ru -","- C136 H104 Cl20 N32 O28 Ru4 -","4","1","","Ghosh, Prabir; Banerjee, Soumyodip; Lahiri, Goutam Kumar","Ruthenium Derivatives of in Situ Generated Redox-Active 1,2-Dinitrosobenzene and 2-Nitrosoanilido. Diverse Structural and Electronic Forms.","Inorganic chemistry","2016","55","24","12832","12843","10.1021/acs.inorgchem.6b02197","","","0.71073","MoKα","","0.0628","0.05","","","0.1182","0.128","","","","","","0.995","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349266","11.9135","0.0006","11.2559","0.0008","48.174","0.002","90","","90","","90","","6460","0.6","150","2","150","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C68 H56 Cl N16 O8 Ru2 -","- C68 H56 Cl N16 O8 Ru2 -","- C272 H224 Cl4 N64 O32 Ru8 -","4","0.5","","Ghosh, Prabir; Banerjee, Soumyodip; Lahiri, Goutam Kumar","Ruthenium Derivatives of in Situ Generated Redox-Active 1,2-Dinitrosobenzene and 2-Nitrosoanilido. Diverse Structural and Electronic Forms.","Inorganic chemistry","2016","55","24","12832","12843","10.1021/acs.inorgchem.6b02197","","","1.54184","CuKα","","0.1079","0.0733","","","0.1711","0.1957","","","","","","1.007","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349267","23.665","0.012","8.326","0.004","18.241","0.011","90","","90","","90","","3594","3","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C28 H18 Cl5 N8 O6 Ru -","- C28 H18 Cl5 N8 O6 Ru -","- C112 H72 Cl20 N32 O24 Ru4 -","4","0.5","","Ghosh, Prabir; Banerjee, Soumyodip; Lahiri, Goutam Kumar","Ruthenium Derivatives of in Situ Generated Redox-Active 1,2-Dinitrosobenzene and 2-Nitrosoanilido. Diverse Structural and Electronic Forms.","Inorganic chemistry","2016","55","24","12832","12843","10.1021/acs.inorgchem.6b02197","","","1.5419","CuKα","","0.0935","0.0864","","","0.2329","0.2408","","","","","","1.07","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349268","34.015","0.015","10.159","0.004","16.332","0.007","90","","102.345","0.006","90","","5513","4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 Cl8 N6 Ru -","- C23 H16 Cl8 N6 Ru -","- C184 H128 Cl64 N48 Ru8 -","8","1","","Ghosh, Prabir; Banerjee, Soumyodip; Lahiri, Goutam Kumar","Ruthenium Derivatives of in Situ Generated Redox-Active 1,2-Dinitrosobenzene and 2-Nitrosoanilido. Diverse Structural and Electronic Forms.","Inorganic chemistry","2016","55","24","12832","12843","10.1021/acs.inorgchem.6b02197","","","0.71075","MoKα","","0.0554","0.0482","","","0.1007","0.105","","","","","","1.114","","","","has coordinates","233793","2020-10-21","18:00:00",""
"4349269","9.944","0.003","13.65","0.004","21.27","0.006","90","","90","","90","","2887.1","1.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 Cl9 N6 Ru -","- C23 H15 Cl9 N6 Ru -","- C92 H60 Cl36 N24 Ru4 -","4","1","","Ghosh, Prabir; Banerjee, Soumyodip; Lahiri, Goutam Kumar","Ruthenium Derivatives of in Situ Generated Redox-Active 1,2-Dinitrosobenzene and 2-Nitrosoanilido. Diverse Structural and Electronic Forms.","Inorganic chemistry","2016","55","24","12832","12843","10.1021/acs.inorgchem.6b02197","","","0.7107","MoKα","","0.0364","0.034","","","0.0863","0.0946","","","","","","1.104","","","","has coordinates","233795","2020-10-21","18:00:00",""
"4349270","14.826","0.0003","15.0728","0.0003","17.1738","0.0004","91.6565","0.0012","103.352","0.0011","119.056","0.001","3218.93","0.13","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H43 F12 Ir N10 O12 Ru S4 -","- C46 H43 F12 Ir N10 O12 Ru S4 -","- C92 H86 F24 Ir2 N20 O24 Ru2 S8 -","2","1","","Brereton, Kelsey R.; Pitman, Catherine L.; Cundari, Thomas R.; Miller, Alexander J. M.","Solvent-Dependent Thermochemistry of an Iridium/Ruthenium H<sub>2</sub> Evolution Catalyst.","Inorganic chemistry","2016","55","22","12042","12051","10.1021/acs.inorgchem.6b02223","","","1.54178","CuKα","","0.0413","0.0383","","","0.0999","0.1018","","","","","","1.045","","","","has coordinates,has disorder","233797","2020-10-21","18:00:00",""
"4349271","20.0146","0.0007","20.9174","0.0008","23.3149","0.0009","90","","103.633","0.002","90","","9485.9","0.6","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C88 H90 F12 Ir2 N18 O13 Ru2 S4 -","- C88 H90 F12 Ir2 N18 O13 Ru2 S4 -","- C352 H360 F48 Ir8 N72 O52 Ru8 S16 -","4","1","","Brereton, Kelsey R.; Pitman, Catherine L.; Cundari, Thomas R.; Miller, Alexander J. M.","Solvent-Dependent Thermochemistry of an Iridium/Ruthenium H<sub>2</sub> Evolution Catalyst.","Inorganic chemistry","2016","55","22","12042","12051","10.1021/acs.inorgchem.6b02223","","","1.54178","CuKα","","0.0742","0.0512","","","0.1303","0.1443","","","","","","1.025","","","","has coordinates,has disorder","233797","2020-10-21","18:00:00",""
"4349272","14.509","0.003","20.059","0.005","38.318","0.007","76.4","0.03","79.22","0.04","74.38","0.03","10347","4","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C88.5 H56 Cl7.5 D2.5 O14 Ru6 -","- C88.5 H58.5 Cl7.5 O14 Ru6 -","- C354 H234 Cl30 O56 Ru24 -","4","2","","Białek, Michał J; Sprutta, Natasza; Latos-Grażyński, Lechosław","Coordination-Induced Molecular Tweezing: Ruthenium Clusters Docked at Azuliporphyrinogens.","Inorganic chemistry","2016","55","22","12061","12073","10.1021/acs.inorgchem.6b02228","","","0.71073","MoKα","","0.2053","0.1496","","","0.3331","0.3664","","","","","","1.086","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4349273","18.415","0.006","22.194","0.007","28.665","0.008","90","","104.08","0.05","90","","11363","7","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H56 Cl6 D2 O18 Ru8 -","- C92 H56 Cl6 D2 O18 Ru8 -","- C368 H224 Cl24 D8 O72 Ru32 -","4","1","","Białek, Michał J; Sprutta, Natasza; Latos-Grażyński, Lechosław","Coordination-Induced Molecular Tweezing: Ruthenium Clusters Docked at Azuliporphyrinogens.","Inorganic chemistry","2016","55","22","12061","12073","10.1021/acs.inorgchem.6b02228","","","0.71073","MoKα","","0.2063","0.1099","","","0.2561","0.3311","","","","","","1.01","","","","has coordinates,has disorder","233801","2020-10-21","18:00:00",""
"4349274","27.001","0.006","9.234","0.002","24.424","0.005","90","","116.82","0.03","90","","5435","2","79.98","0.13","79.98","0.13","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H48 S2 -","- C60 H48 S2 -","- C240 H192 S8 -","4","0.5","","Białek, Michał J; Sprutta, Natasza; Latos-Grażyński, Lechosław","Coordination-Induced Molecular Tweezing: Ruthenium Clusters Docked at Azuliporphyrinogens.","Inorganic chemistry","2016","55","22","12061","12073","10.1021/acs.inorgchem.6b02228","","","0.71073","MoKα","","0.0928","0.0611","","","0.1567","0.1731","","","","","","1.029","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349275","12.716","0.002","21.785","0.004","32.824","0.006","90","","90","","90","","9093","3","190","2","190","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C81.46 H48 Cl10.38 D3.46 O18 Ru8 S2 -","- C79.632 H48 Cl4.896 D1.632 O18 Ru8 S2 -","- C318.528 H192 Cl19.584 D6.528 O72 Ru32 S8 -","4","1","","Białek, Michał J; Sprutta, Natasza; Latos-Grażyński, Lechosław","Coordination-Induced Molecular Tweezing: Ruthenium Clusters Docked at Azuliporphyrinogens.","Inorganic chemistry","2016","55","22","12061","12073","10.1021/acs.inorgchem.6b02228","","","1.54178","CuKα","","0.1194","0.0625","","","0.1071","0.1201","","","","","","0.823","","","","has coordinates","233801","2020-10-21","18:00:00",""
"4349276","31.004","0.006","28.866","0.005","22.39","0.004","90","","90","","90","","20038","6","80","2","80","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C113 H88 O18 Ru8 S2 -","- C113 H88 O18 Ru8 S2 -","- C904 H704 O144 Ru64 S16 -","8","1","","Białek, Michał J; Sprutta, Natasza; Latos-Grażyński, Lechosław","Coordination-Induced Molecular Tweezing: Ruthenium Clusters Docked at Azuliporphyrinogens.","Inorganic chemistry","2016","55","22","12061","12073","10.1021/acs.inorgchem.6b02228","","","0.71073","MoKα","","0.0749","0.0502","","","0.0894","0.0998","","","","","","1.031","","","","has coordinates","233801","2020-10-21","18:00:00",""
"4349277","17.93","0.004","22.426","0.005","28.007","0.008","90","","100.54","0.03","90","","11072","5","79.9","0.5","79.9","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C87 H52 Cl9 D3 O18 Ru8 S -","- C87 H52 Cl9 D3 O18 Ru8 S -","- C348 H208 Cl36 D12 O72 Ru32 S4 -","4","1","","Białek, Michał J; Sprutta, Natasza; Latos-Grażyński, Lechosław","Coordination-Induced Molecular Tweezing: Ruthenium Clusters Docked at Azuliporphyrinogens.","Inorganic chemistry","2016","55","22","12061","12073","10.1021/acs.inorgchem.6b02228","","","0.71073","MoKα","","0.136","0.0829","","","0.1982","0.2337","","","","","","1.026","","","","has coordinates","233801","2020-10-21","18:00:00",""
"4349278","34.064","0.006","60.772","0.01","8.036","0.0013","90","","90","","90","","16636","5","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H39 N5 O10 Ru2 -","- C40 H39 N5 O10 Ru2 -","- C640 H624 N80 O160 Ru32 -","16","1","","Ansari, Mohd Asif; Mandal, Abhishek; Paretzki, Alexa; Beyer, Katharina; Kaim, Wolfgang; Lahiri, Goutam Kumar","Isomeric Diruthenium Complexes of a Heterocyclic and Quinonoid Bridging Ligand: Valence and Spin Alternatives for the Metal/Ligand/Metal Arrangement.","Inorganic chemistry","2016","55","23","12357","12365","10.1021/acs.inorgchem.6b02245","","","0.7107","MoKα","","0.0366","0.0343","","","0.0746","0.0759","","","","","","1.049","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349279","11.2273","0.0008","23.898","0.0016","15.396","0.0012","90","","103.292","0.008","90","","4020.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 Cl2 N4 O10 Ru2 -","- C39 H38 Cl2 N4 O10 Ru2 -","- C156 H152 Cl8 N16 O40 Ru8 -","4","1","","Ansari, Mohd Asif; Mandal, Abhishek; Paretzki, Alexa; Beyer, Katharina; Kaim, Wolfgang; Lahiri, Goutam Kumar","Isomeric Diruthenium Complexes of a Heterocyclic and Quinonoid Bridging Ligand: Valence and Spin Alternatives for the Metal/Ligand/Metal Arrangement.","Inorganic chemistry","2016","55","23","12357","12365","10.1021/acs.inorgchem.6b02245","","","0.71073","MoKα","","0.128","0.0824","","","0.1769","0.2105","","","","","","1.037","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349280","8.882","0.001","8.882","0.001","35.469","0.001","90","","90","","90","","2798.1","0.5","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H32 I3 P4 Sc -","- C20 H32 I3 P4 Sc -","- C80 H128 I12 P16 Sc4 -","4","0.5","","Carravetta, Marina; Concistre, Maria; Levason, William; Reid, Gillian; Zhang, Wenjian","Rare Neutral Diphosphine Complexes of Scandium(III) and Yttrium(III) Halides.","Inorganic chemistry","2016","55","24","12890","12896","10.1021/acs.inorgchem.6b02268","","","0.71075","MoKα","","0.0278","0.0258","","","0.0575","0.0581","","","","","","1.156","","","","has coordinates","233808","2020-10-21","18:00:00",""
"4349281","17.453","0.006","10.636","0.003","17.515","0.006","90","","90","","90","","3251.3","1.8","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H35 I3 N P4 Y -","- C22 H35 I3 N P4 Y -","- C88 H140 I12 N4 P16 Y4 -","4","1","","Carravetta, Marina; Concistre, Maria; Levason, William; Reid, Gillian; Zhang, Wenjian","Rare Neutral Diphosphine Complexes of Scandium(III) and Yttrium(III) Halides.","Inorganic chemistry","2016","55","24","12890","12896","10.1021/acs.inorgchem.6b02268","","","0.71075","MoKα","","0.062","0.0367","","","0.0849","0.1121","","","","","","0.7","","","","has coordinates","233810","2020-10-21","18:00:00",""
"4349282","13.902","0.002","13.902","0.002","25.589","0.008","90","","90","","90","","4945.5","1.8","100","2","100","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C12 H32 I3 P4 Sc -","- C12 H28 I3 P4 Sc -","- C96 H224 I24 P32 Sc8 -","8","0.25","","Carravetta, Marina; Concistre, Maria; Levason, William; Reid, Gillian; Zhang, Wenjian","Rare Neutral Diphosphine Complexes of Scandium(III) and Yttrium(III) Halides.","Inorganic chemistry","2016","55","24","12890","12896","10.1021/acs.inorgchem.6b02268","","","0.71075","MoKα","","0.0474","0.0326","","","0.0806","0.0881","","","","","","1.097","","","","has coordinates,has disorder","233812","2020-10-21","18:00:00",""
"4349283","25.964","0.003","11.7576","0.0013","29.248","0.004","90","","90.045","0.003","90","","8928.7","1.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Mn2(CO)7(CNArDipp2)3","","","- C100 H111 Mn2 N3 O7 -","- C100 H111 Mn2 N3 O7 -","- C400 H444 Mn8 N12 O28 -","4","1","","Agnew, Douglas W.; Sampson, Matthew D.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.; Figueroa, Joshua S.","Electrochemical Properties and CO<sub>2</sub>-Reduction Ability of m-Terphenyl Isocyanide Supported Manganese Tricarbonyl Complexes.","Inorganic chemistry","2016","55","23","12400","12408","10.1021/acs.inorgchem.6b02299","","x-ray","0.71073","MoKα","","0.1439","0.1298","","","0.2854","0.2909","","","","","","1.207","","","","has coordinates,has disorder","233814","2020-10-21","18:00:00",""
"4349284","16.7392","0.0014","17.0282","0.0014","24.298","0.002","90","","102.184","0.003","90","","6769.9","1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","IMn(CO)3(CNArDipp2)2(C4H8O)","","","- C73 H90 I Mn N2 O5 -","- C73 H90 I Mn N2 O5 -","- C292 H360 I4 Mn4 N8 O20 -","4","1","","Agnew, Douglas W.; Sampson, Matthew D.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.; Figueroa, Joshua S.","Electrochemical Properties and CO<sub>2</sub>-Reduction Ability of m-Terphenyl Isocyanide Supported Manganese Tricarbonyl Complexes.","Inorganic chemistry","2016","55","23","12400","12408","10.1021/acs.inorgchem.6b02299","","","0.71073","MoKα","","0.0912","0.0577","","","0.1346","0.1491","","","","","","1.034","","","","has coordinates,has disorder","233814","2020-10-21","18:00:00",""
"4349285","17.3739","0.0016","25.063","0.003","17.1374","0.0017","90","","90","","90","","7462.3","1.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Mn2(CO)8(CNArDipp2)2","","","- C78 H94 Mn2 N2 O10 -","- C78 H94 Mn2 N2 O10 -","- C312 H376 Mn8 N8 O40 -","4","0.5","","Agnew, Douglas W.; Sampson, Matthew D.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.; Figueroa, Joshua S.","Electrochemical Properties and CO<sub>2</sub>-Reduction Ability of m-Terphenyl Isocyanide Supported Manganese Tricarbonyl Complexes.","Inorganic chemistry","2016","55","23","12400","12408","10.1021/acs.inorgchem.6b02299","","","0.71073","MoKα","","0.1197","0.0486","","","0.0894","0.1151","","","","","","1.031","","","","has coordinates,has disorder","233814","2020-10-21","18:00:00",""
"4349286","3.95","0.003","10.125","0.007","13.144","0.009","101.311","0.008","90.999","0.008","94.437","0.008","513.6","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 N4 Ni2 S8 -","- C10 N4 Ni2 S8 -","- C10 N4 Ni2 S8 -","1","0.5","","Hayashi, Mikihiro; Otsubo, Kazuya; Maesato, Mitsuhiko; Komatsu, Tokutaro; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","An Electrically Conductive Single-Component Donor-Acceptor-Donor Aggregate with Hydrogen-Bonding Lattice.","Inorganic chemistry","2016","55","24","13027","13034","10.1021/acs.inorgchem.6b02301","","","0.71075","MoKα","","0.0986","0.0651","","","0.2061","0.2302","","","","","","1.044","","","","has coordinates","233816","2020-10-21","18:00:00",""
"4349287","21.622","0.002","23.982","0.002","35.304","0.004","90","","90","","90","","18306","3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C166 H208 B4 Br4 Co5 Fe4 N44 O22 -","- C127 H126 B4 Br4 Co5 Fe4 N44 O7 -","- C508 H504 B16 Br16 Co20 Fe16 N176 O28 -","4","1","","Wei, Rong-Jia; Shiga, Takuya; Newton, Graham N.; Robinson, David; Takeda, Sadamu; Oshio, Hiroki","A Cyanide-Bridged Magnetically Switchable Cage with Encapsulated Water Molecules.","Inorganic chemistry","2016","55","23","12114","12117","10.1021/acs.inorgchem.6b02306","","","0.71","MoKα","","0.0911","0.08","","","0.1909","0.1964","","","","","","1.061","","","","has coordinates,has disorder","233817","2020-10-21","18:00:00",""
"4349288","21.432","0.004","24.169","0.004","35.472","0.006","90","","90","","90","","18374","6","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C160 H188 B4 Br4 Co5 D8 Fe4 N44 O20 -","- C130 H128 B4 Br4 Co5 D4 Fe4 N44 O8 -","- C520 H512 B16 Br16 Co20 D16 Fe16 N176 O32 -","4","1","","Wei, Rong-Jia; Shiga, Takuya; Newton, Graham N.; Robinson, David; Takeda, Sadamu; Oshio, Hiroki","A Cyanide-Bridged Magnetically Switchable Cage with Encapsulated Water Molecules.","Inorganic chemistry","2016","55","23","12114","12117","10.1021/acs.inorgchem.6b02306","","","0.71073","MoKα","","0.0737","0.0593","","","0.1385","0.1444","","","","","","1.038","","","","has coordinates,has disorder","233817","2020-10-21","18:00:00",""
"4349289","19.378","0.009","7.39","0.003","13.683","0.007","90","","90","","90","","1959.5","1.6","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2 H12 Ag4 N2 S8 Sn3 -","- C2 H12 Ag4 N2 S8 Sn3 -","- C8 H48 Ag16 N8 S32 Sn12 -","4","0.5","","Zhang, Bo; Li, Jun; Du, Cheng-Feng; Feng, Mei-Ling; Huang, Xiao-Ying","[CH<sub>3</sub>NH<sub>3</sub>]<sub>2</sub>Ag<sub>4</sub>Sn<sup>IV</sup><sub>2</sub>Sn<sup>II</sup>S<sub>8</sub>: An Open-Framework Mixed-Valent Chalcogenidostannate.","Inorganic chemistry","2016","55","21","10855","10858","10.1021/acs.inorgchem.6b02317","","","0.71073","MoKα","","0.0342","0.0287","","","0.063","0.0662","","","","","","0.995","","","","has coordinates","233819","2020-10-21","18:00:00",""
"4349290","10.5785","0.0005","14.4939","0.0006","20.5","0.0009","90","","97.355","0.002","90","","3117.3","0.2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28.5 H23 Cd N2 O6 -","- C28.5 H19 Cd N2 O6 -","- C114 H76 Cd4 N8 O24 -","4","1","","An, Litao; Wang, Hao; Xu, Feng; Wang, Xin-Long; Wang, Fangming; Li, Jing; Teat, Simon","Selective Carbon Dioxide Adsorption by Two Robust Microporous Coordination Polymers.","Inorganic chemistry","2016","55","24","12923","12929","10.1021/acs.inorgchem.6b02332","","","0.7749","synchrotron","","0.0591","0.0466","","","0.117","0.1282","","","","","","1.024","","","","has coordinates","233820","2020-10-21","18:00:00",""
"4349291","10.4985","0.0004","14.5262","0.0005","20.636","0.0008","90","","97.611","0.002","90","","3119.3","0.2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C59 H42 Cd2 N4 O8 -","- C59 H42 Cd2 N4 O8 -","- C118 H84 Cd4 N8 O16 -","2","0.5","","An, Litao; Wang, Hao; Xu, Feng; Wang, Xin-Long; Wang, Fangming; Li, Jing; Teat, Simon","Selective Carbon Dioxide Adsorption by Two Robust Microporous Coordination Polymers.","Inorganic chemistry","2016","55","24","12923","12929","10.1021/acs.inorgchem.6b02332","","","0.7749","synchrotron","","0.0534","0.0356","","","0.0846","0.0905","","","","","","1.033","","","","has coordinates","233823","2020-10-21","18:00:00",""
"4349293","16.1155","0.0004","23.2575","0.0006","16.1766","0.0004","90","","97.445","0.002","90","","6012","0.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H50 Al B Cl F18 N O4 -","- C49 H50 Al B Cl F18 N O4 -","- C196 H200 Al4 B4 Cl4 F72 N4 O16 -","4","1","","Huang, Jih-Sheng; Lee, Wan-Hua; Shen, Chao-Tang; Lin, Ya-Fan; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Ching-Wen","Cp*-Substituted Boron Cations: The Effect of NHC, NHO, and CAAC Ligands.","Inorganic chemistry","2016","55","23","12427","12434","10.1021/acs.inorgchem.6b02336","","","0.71073","MoKα","","0.2946","0.2292","","","0.5247","0.5523","","","","","","3.269","","","","has coordinates","233827","2020-10-21","18:00:00",""
"4349294","12.5727","0.0006","15.5552","0.0008","20.9056","0.0007","90","","91.152","0.004","90","","4087.7","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H50 Al2 B Cl8 N -","- C33 H50 Al2 B Cl8 N -","- C132 H200 Al8 B4 Cl32 N4 -","4","1","","Huang, Jih-Sheng; Lee, Wan-Hua; Shen, Chao-Tang; Lin, Ya-Fan; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Ching-Wen","Cp*-Substituted Boron Cations: The Effect of NHC, NHO, and CAAC Ligands.","Inorganic chemistry","2016","55","23","12427","12434","10.1021/acs.inorgchem.6b02336","","","1.54178","CuKα","","0.0525","0.041","","","0.0999","0.1105","","","","","","0.993","","","","has coordinates","233829","2020-10-21","18:00:00",""
"4349295","10.0511","0.0004","26.5752","0.0011","13.0432","0.0005","90","","92.929","0.004","90","","3479.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H51 Al B Cl4 N -","- C33 H51 Al B Cl4 N -","- C132 H204 Al4 B4 Cl16 N4 -","4","1","","Huang, Jih-Sheng; Lee, Wan-Hua; Shen, Chao-Tang; Lin, Ya-Fan; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Ching-Wen","Cp*-Substituted Boron Cations: The Effect of NHC, NHO, and CAAC Ligands.","Inorganic chemistry","2016","55","23","12427","12434","10.1021/acs.inorgchem.6b02336","","","0.71073","MoKα","","0.115","0.0641","","","0.1336","0.162","","","","","","1.008","","","","has coordinates","233831","2020-10-21","18:00:00",""
"4349296","9.924","0.016","11.943","0.018","12.99","0.02","83.38","0.06","78.43","0.04","84.24","0.05","1494","4","112","","112","","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H40 Cl10 N2 O12 Ru2 -","- C47.5 H43 Cl10 N2 O12 Ru2 -","- C47.5 H43 Cl10 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","","","0.71075","MoKα","","0.1829","0.1433","","","0.3595","0.411","","","","","","1.31","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349297","9.8399","0.0006","10.6143","0.0007","10.9375","0.0004","99.279","0.006","92.63","0.007","107.381","0.008","1070.55","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H33.36 Cl2.64 N2 O12 Ru2 -","- C44 H33.36 Cl2.64 N2 O12 Ru2 -","- C44 H33.36 Cl2.64 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","powder diffraction","","0.8004","synchrotron","","0.00307","","","","","","0.0031","0.00831","4.9472","","","","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349298","9.723","0.003","11.564","0.004","12.965","0.004","81.499","0.011","77.99","0.009","84.219","0.011","1406.5","0.8","112","","112","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H40 Cl8 N2 O12 Ru2 -","- C47 H38 Cl8 N2 O12 Ru2 -","- C47 H38 Cl8 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","","","0.71075","MoKα","","0.1087","0.0732","","","0.1851","0.2112","","","","","","1.068","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349299","9.891","0.0005","10.5583","0.0006","10.9831","0.0004","98.159","0.007","92.206","0.008","108.006","0.007","1075.63","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H33.76 Cl2.24 N2 O12 Ru2 -","- C44 H33.76 Cl2.24 N2 O12 Ru2 -","- C44 H33.76 Cl2.24 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","powder diffraction","","0.8004","synchrotron","","0.00486","","","","","","0.00486","0.01207","5.4566","","","","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349300","9.761","0.004","11.528","0.005","12.982","0.005","80.75","0.014","78.389","0.012","84.462","0.015","1409.2","1","112","","112","","","","","","","","","6","P -1","-P 1","2","","","","- C46.9 H40 Cl7.6 N2 O12 Ru2 -","- C46.9 H36 Cl7.6 N2 O12 Ru2 -","- C46.9 H36 Cl7.6 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","","","0.71075","MoKα","","0.071","0.0607","","","0.1703","0.1942","","","","","","1.095","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349301","9.879","0.0005","10.5098","0.0007","10.9471","0.0004","97.8","0.007","91.989","0.009","108.294","0.007","1065.55","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H34.08 Cl1.92 N2 O12 Ru2 -","- C44 H34.08 Cl1.92 N2 O12 Ru2 -","- C44 H34.08 Cl1.92 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","powder diffraction","","0.8004","synchrotron","","0.00383","","","","","","0.00383","0.00791","5.2429","","","","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349302","9.882","0.015","11.598","0.017","13.116","0.017","80.29","0.06","78.65","0.06","84.4","0.06","1450","4","112","","112","","","","","","","","","6","P -1","-P 1","2","","","","- C46.6 H40 Cl6.4 N2 O12 Ru2 -","- C46.6 H37.2 Cl6.4 N2 O12 Ru2 -","- C46.6 H37.2 Cl6.4 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","","","0.71075","MoKα","","0.2235","0.1682","","","0.3973","0.4563","","","","","","1.34","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349303","9.957","0.016","10.656","0.016","12.61","0.02","87.15","0.06","83.79","0.05","80.62","0.05","1312","4","112","","112","","","","","","","","","6","P -1","-P 1","2","","","","- C45.6 H38.4 Cl4 N2 O12 Ru2 -","- C45.6 H35.2 Cl4 N2 O12 Ru2 -","- C45.6 H35.2 Cl4 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","","","0.71075","MoKα","","0.1855","0.1419","","","0.3422","0.3952","","","","","","1.173","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349304","9.787","0.011","10.514","0.014","12.386","0.017","86.81","0.04","84.03","0.05","80.49","0.04","1249","3","112","","112","","","","","","","","","6","P -1","-P 1","2","","","","- C45.7 H38.8 Cl4 N2 O12 Ru2 -","- C45.7 H32 Cl4 N2 O12 Ru2 -","- C45.7 H32 Cl4 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","","","0.71075","MoKα","","0.1935","0.149","","","0.3489","0.4033","","","","","","1.241","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349305","9.5608","0.0004","10.4007","0.0005","10.5941","0.0004","92.192","0.005","97.166","0.005","102.015","0.006","1020.1","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H35.48 Cl0.52 N2 O12 Ru2 -","- C44 H35.48 Cl0.52 N2 O12 Ru2 -","- C44 H35.48 Cl0.52 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","powder diffraction","","0.8004","synchrotron","","0.00778","","","","","","0.00784","0.02434","8.0291","","","","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349306","9.672","0.012","10.399","0.011","11.807","0.014","86.95","0.04","86.5","0.06","80.67","0.06","1169","2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 Cl4 N2 O12 Ru2 -","- C46 H40 Cl4 N2 O12 Ru2 -","- C46 H40 Cl4 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","","","0.71075","MoKα","","0.0462","0.0381","","","0.0925","0.0996","","","","","","1.111","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349307","8.053","0.0006","13.8608","0.001","13.8522","0.0011","90","","93.471","0.002","90","","1543.4","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N3 O7 -","- C16 H17 N3 O7 -","- C64 H68 N12 O28 -","4","1","","Weekes, David M.; Ramogida, Caterina F.; Jaraquemada-Peláez, Maria de Guadalupe; Patrick, Brian O.; Apte, Chirag; Kostelnik, Thomas I.; Cawthray, Jacqueline F.; Murphy, Lisa; Orvig, Chris","Dipicolinate Complexes of Gallium(III) and Lanthanum(III).","Inorganic chemistry","2016","55","24","12544","12558","10.1021/acs.inorgchem.6b02357","","","0.71073","MoKα","","0.0396","0.0349","","","0.0949","0.0984","","","","","","1.051","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349308","30.9305","0.0018","35.941","0.002","7.0749","0.0004","90","","90","","90","","7865","0.8","90","2","90.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H18 Ga N3 O9 -","- C16 H18 Ga N3 O9 -","- C256 H288 Ga16 N48 O144 -","16","2","","Weekes, David M.; Ramogida, Caterina F.; Jaraquemada-Peláez, Maria de Guadalupe; Patrick, Brian O.; Apte, Chirag; Kostelnik, Thomas I.; Cawthray, Jacqueline F.; Murphy, Lisa; Orvig, Chris","Dipicolinate Complexes of Gallium(III) and Lanthanum(III).","Inorganic chemistry","2016","55","24","12544","12558","10.1021/acs.inorgchem.6b02357","","","0.71073","MoKα","","0.12","0.0882","","","0.1657","0.1751","","","","","","1.147","","","","has coordinates","233839","2020-10-21","18:00:00",""
"4349309","7.3614","0.0012","12.8124","0.0018","15.475","0.002","73.422","0.007","89.813","0.008","81.366","0.009","1381.8","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C56 H60 N12 O20 -","4","2","","Weekes, David M.; Ramogida, Caterina F.; Jaraquemada-Peláez, Maria de Guadalupe; Patrick, Brian O.; Apte, Chirag; Kostelnik, Thomas I.; Cawthray, Jacqueline F.; Murphy, Lisa; Orvig, Chris","Dipicolinate Complexes of Gallium(III) and Lanthanum(III).","Inorganic chemistry","2016","55","24","12544","12558","10.1021/acs.inorgchem.6b02357","","","0.71073","MoKα","","0.113","0.0741","","","0.1807","0.2116","","","","","","1.031","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349310","21.956","0.003","21.956","0.003","23.591","0.003","90","","90","","90","","11372","3","150","2","150","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C140 H196 Mn29 N30 O80 -","- C140 Mn29 N30 O80 -","- C280 Mn58 N60 O160 -","2","0.125","","Alexandropoulos, Dimitris I.; Fournet, Adeline; Cunha-Silva, Luís; Christou, George; Stamatatos, Theocharis C.","""Molecular Nanoclusters"": A 2-nm-Sized {Mn<sub>29</sub>} Cluster with a Spherical Structure.","Inorganic chemistry","2016","55","23","12118","12121","10.1021/acs.inorgchem.6b02363","","","0.71073","MoKα","","0.076","0.0628","","","0.1627","0.1712","","","","","","1.056","","","","has coordinates,has disorder","233842","2020-10-21","18:00:00",""
"4349311","11.225","0.004","10.798","0.004","12.435","0.004","90","","97.074","0.004","90","","1495.7","0.9","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 F8 O2 S2 -","- C8 H16 F8 O2 S2 -","- C32 H64 F32 O8 S8 -","4","1","","Goettel, James T.; Gerken, Michael","Synthesis and Characterization of Adducts between SF<sub>4</sub> and Oxygen Bases: Examples of O···S(IV) Chalcogen Bonding.","Inorganic chemistry","2016","55","23","12441","12450","10.1021/acs.inorgchem.6b02373","","","0.71073","MoKα","","0.0567","0.0473","","","0.1127","0.1193","","","","","","1.053","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349312","11.307","0.002","13.664","0.004","17.149","0.003","107.28","0.04","98.74","0.03","107.83","0.03","2320.8","1.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 F4 O2 S -","- C8 H16 F4 O2 S -","- C64 H128 F32 O16 S8 -","8","4","","Goettel, James T.; Gerken, Michael","Synthesis and Characterization of Adducts between SF<sub>4</sub> and Oxygen Bases: Examples of O···S(IV) Chalcogen Bonding.","Inorganic chemistry","2016","55","23","12441","12450","10.1021/acs.inorgchem.6b02373","","","0.71073","MoKα","","0.1318","0.0571","","","0.1125","0.1334","","","","","","0.929","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349313","4.6402","0.0012","13.168","0.003","13.503","0.003","90","","90","","90","","825.1","0.3","128","2","128","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H10 F4 O2 S -","- C4 H10 F4 O2 S -","- C16 H40 F16 O8 S4 -","4","0.5","","Goettel, James T.; Gerken, Michael","Synthesis and Characterization of Adducts between SF<sub>4</sub> and Oxygen Bases: Examples of O···S(IV) Chalcogen Bonding.","Inorganic chemistry","2016","55","23","12441","12450","10.1021/acs.inorgchem.6b02373","","","0.71073","MoKα","","0.0228","0.0197","","","0.0549","0.0575","","","","","","1.127","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349314","8.9081","0.0016","16.721","0.003","9.4878","0.0017","90","","116.32","0.002","90","","1266.7","0.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 F4 O2 S -","- C10 H16 F4 O2 S -","- C40 H64 F16 O8 S4 -","4","1","","Goettel, James T.; Gerken, Michael","Synthesis and Characterization of Adducts between SF<sub>4</sub> and Oxygen Bases: Examples of O···S(IV) Chalcogen Bonding.","Inorganic chemistry","2016","55","23","12441","12450","10.1021/acs.inorgchem.6b02373","","","0.71073","MoKα","","0.044","0.0342","","","0.0806","0.085","","","","","","1.003","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349315","7.792","0.005","9.433","0.005","11.586","0.007","107.669","0.006","103.451","0.006","96.358","0.007","773.9","0.8","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 F9 N4 O2 S2 -","- C8 H11 F9 N4 O2 S2 -","- C16 H22 F18 N8 O4 S4 -","2","1","","Goettel, James T.; Gerken, Michael","Synthesis and Characterization of Adducts between SF<sub>4</sub> and Oxygen Bases: Examples of O···S(IV) Chalcogen Bonding.","Inorganic chemistry","2016","55","23","12441","12450","10.1021/acs.inorgchem.6b02373","","","0.71073","MoKα","","0.0403","0.0327","","","0.0855","0.0898","","","","","","1.029","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349318","10.9394","0.0005","17.2285","0.0008","7.6644","0.0004","90","","105.951","0.005","90","","1388.89","0.12","128.4","0.14","128.4","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 Ni3 O14 -","- C28 H20 N2 Ni3 O14 -","- C56 H40 N4 Ni6 O28 -","2","0.5","","Meng, Xixi; Zhang, Xuejing; Bing, Yanmin; Xu, Na; Shi, Wei; Cheng, Peng","In Situ Generation of NiO Nanoparticles in a Magnetic Metal-Organic Framework Exhibiting Three-Dimensional Magnetic Ordering.","Inorganic chemistry","2016","55","24","12938","12943","10.1021/acs.inorgchem.6b02376","","","0.71073","MoKα","","0.0386","0.0333","","","0.0719","0.075","","","","","","1.062","","","","has coordinates","233849","2020-10-21","18:00:00",""
"4349319","10.2001","0.0013","10.6945","0.0018","13.1719","0.0012","108.594","0.011","94.039","0.009","117.126","0.015","1171.7","0.4","173.05","0.1","173.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Co Dy N5 O10 -","- C18 H23 Co Dy N5 O10 -","- C36 H46 Co2 Dy2 N10 O20 -","2","1","","Novitchi, Ghénadie; Shova, Sergiu; Lan, Yanhua; Wernsdorfer, Wolfgang; Train, Cyrille","Verdazyl Radical, a Building Block for a Six-Spin-Center 2p-3d-4f Single-Molecule Magnet.","Inorganic chemistry","2016","55","23","12122","12125","10.1021/acs.inorgchem.6b02380","","","0.71073","MoKα","","0.1307","0.0724","","","0.0982","0.1198","","","","","","0.928","","","","has coordinates","233850","2020-10-21","18:00:00",""
"4349322","15.918","0.003","17.571","0.003","19.574","0.003","86.263","0.004","80.463","0.005","79.321","0.005","5302.2","1.6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C119 H113 Ag6 O4 P8 -","- C119 H104 Ag6 O4 P8 -","- C238 H208 Ag12 O8 P16 -","2","1","","Cook, Andrew W.; Nguyen, Thuy-Ai D; Buratto, William R.; Wu, Guang; Hayton, Trevor W.","Synthesis, Characterization, and Reactivity of the Group 11 Hydrido Clusters [Ag<sub>6</sub>H<sub>4</sub>(dppm)<sub>4</sub>(OAc)<sub>2</sub>] and [Cu<sub>3</sub>H(dppm)<sub>3</sub>(OAc)<sub>2</sub>].","Inorganic chemistry","2016","55","23","12435","12440","10.1021/acs.inorgchem.6b02385","","","0.71073","MoKα","","0.1173","0.0745","","","0.1523","0.1705","","","","","","1.099","","","","has coordinates","233853","2020-10-21","18:00:00",""
"4349323","13.493","0.003","43.365","0.009","13.796","0.004","90","","105.106","0.007","90","","7793","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C91 H85 Cu3 O4 P6 -","- C91 H85 Cu3 O4 P6 -","- C364 H340 Cu12 O16 P24 -","4","1","","Cook, Andrew W.; Nguyen, Thuy-Ai D; Buratto, William R.; Wu, Guang; Hayton, Trevor W.","Synthesis, Characterization, and Reactivity of the Group 11 Hydrido Clusters [Ag<sub>6</sub>H<sub>4</sub>(dppm)<sub>4</sub>(OAc)<sub>2</sub>] and [Cu<sub>3</sub>H(dppm)<sub>3</sub>(OAc)<sub>2</sub>].","Inorganic chemistry","2016","55","23","12435","12440","10.1021/acs.inorgchem.6b02385","","","0.71073","MoKα","","0.1101","0.0538","","","0.0964","0.1137","","","","","","0.988","","","","has coordinates","233853","2020-10-21","18:00:00",""
"4349324","10.1984","0.0009","14.2488","0.0013","17.5947","0.0016","99.675","0.002","90.719","0.002","107.102","0.001","2403.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H70 N2 O4 S4 Sn2 -","- C44 H70 N2 O4 S4 Sn2 -","- C88 H140 N4 O8 S8 Sn4 -","2","1","","Torres-Huerta, Aaron; Cruz-Huerta, Jorge; Höpfl, Herbert; Hernández-Vázquez, Luis G; Escalante-García, Jaime; Jiménez-Sánchez, Arturo; Santillan, Rosa; Hernández-Ahuactzi, Irán F; Sánchez, Mario","Variation of the Molecular Conformation, Shape, and Cavity Size in Dinuclear Metalla-Macrocycles Containing Hetero-Ditopic Dithiocarbamate-Carboxylate Ligands from a Homologous Series of N-Substituted Amino Acids.","Inorganic chemistry","2016","55","23","12451","12469","10.1021/acs.inorgchem.6b02387","","","0.71073","MoKα","","0.0309","0.0293","","","0.0682","0.0694","","","","","","1.055","","","","has coordinates","233855","2020-10-21","18:00:00",""
"4349325","14.704","0.002","8.0714","0.0013","14.564","0.002","90","","93.626","0.003","90","","1725","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O2 S2 Sn -","- C15 H21 N O2 S2 Sn -","- C60 H84 N4 O8 S8 Sn4 -","4","1","","Torres-Huerta, Aaron; Cruz-Huerta, Jorge; Höpfl, Herbert; Hernández-Vázquez, Luis G; Escalante-García, Jaime; Jiménez-Sánchez, Arturo; Santillan, Rosa; Hernández-Ahuactzi, Irán F; Sánchez, Mario","Variation of the Molecular Conformation, Shape, and Cavity Size in Dinuclear Metalla-Macrocycles Containing Hetero-Ditopic Dithiocarbamate-Carboxylate Ligands from a Homologous Series of N-Substituted Amino Acids.","Inorganic chemistry","2016","55","23","12451","12469","10.1021/acs.inorgchem.6b02387","","","0.71073","MoKα","","0.087","0.0706","","","0.1523","0.1602","","","","","","1.118","","","","has coordinates","233856","2020-10-21","18:00:00",""
"4349326","9.8485","0.0012","11.0976","0.0013","13.4088","0.0016","71.44","0.002","85.071","0.002","71.243","0.002","1315.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H70 N2 O4 S4 Sn2 -","- C52 H70 N2 O4 S4 Sn2 -","- C52 H70 N2 O4 S4 Sn2 -","1","0.5","","Torres-Huerta, Aaron; Cruz-Huerta, Jorge; Höpfl, Herbert; Hernández-Vázquez, Luis G; Escalante-García, Jaime; Jiménez-Sánchez, Arturo; Santillan, Rosa; Hernández-Ahuactzi, Irán F; Sánchez, Mario","Variation of the Molecular Conformation, Shape, and Cavity Size in Dinuclear Metalla-Macrocycles Containing Hetero-Ditopic Dithiocarbamate-Carboxylate Ligands from a Homologous Series of N-Substituted Amino Acids.","Inorganic chemistry","2016","55","23","12451","12469","10.1021/acs.inorgchem.6b02387","","","0.71073","MoKα","","0.0375","0.0321","","","0.071","0.0814","","","","","","1.068","","","","has coordinates","233858","2020-10-21","18:00:00",""
"4349327","14.3062","0.0004","14.7789","0.0005","21.4417","0.0006","70.19","0.003","73.377","0.003","75.105","0.003","4021.9","0.2","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","","","- C80.5 H65 Au Cl8 N2 O6 P3 Re Ru S -","- C77 H58 Au Cl N2 O6 P3 Re Ru S -","- C154 H116 Au2 Cl2 N4 O12 P6 Re2 Ru2 S2 -","2","1","","Robson, Jonathan A.; Gonzàlez de Rivera, Ferran; Jantan, Khairil A.; Wenzel, Margot N.; White, Andrew J. P.; Rossell, Oriol; Wilton-Ely, James D E T","Bifunctional Chalcogen Linkers for the Stepwise Generation of Multimetallic Assemblies and Functionalized Nanoparticles.","Inorganic chemistry","2016","55","24","12982","12996","10.1021/acs.inorgchem.6b02409","","","0.71073","MoKα","","0.071","0.0434","","","0.0909","0.1036","","","","","","1.021","","","","has coordinates,has disorder","233860","2020-10-21","18:00:00",""
"4349333","15.5162","0.0015","17.9072","0.0017","21.091","0.002","74.887","0.002","76.28","0.002","87.935","0.002","5494","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H194 Al3 Mg3 N15 -","- C100 H194 Al3 Mg3 N15 -","- C200 H388 Al6 Mg6 N30 -","2","1","","Schnitzler, Silvia; Spaniol, Thomas P.; Okuda, Jun","Reactivity of a Molecular Magnesium Hydride Featuring a Terminal Magnesium-Hydrogen Bond.","Inorganic chemistry","2016","55","24","12997","13006","10.1021/acs.inorgchem.6b02509","","","0.71073","MoKα","","0.0791","0.0552","","","0.136","0.1508","","","","","","1.05","","","","has coordinates,has disorder","233866","2020-10-21","18:00:00",""
"4349334","17.0436","0.0016","16.876","0.0016","9.3311","0.0009","90","","90","","90","","2683.9","0.4","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C46 H104 Al2 Mg2 N8 O -","- C46 H104 Al2 Mg2 N8 O -","- C92 H208 Al4 Mg4 N16 O2 -","2","0.5","","Schnitzler, Silvia; Spaniol, Thomas P.; Okuda, Jun","Reactivity of a Molecular Magnesium Hydride Featuring a Terminal Magnesium-Hydrogen Bond.","Inorganic chemistry","2016","55","24","12997","13006","10.1021/acs.inorgchem.6b02509","","","0.71073","MoKα","","0.0433","0.0382","","","0.0906","0.0934","","","","","","1.163","","","","has coordinates","233866","2020-10-21","18:00:00",""
"4349335","22.437","0.004","16.062","0.003","32.482","0.005","90","","90","","90","","11706","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H53 Al Mg N4 O2 -","- C24 H53 Al Mg N4 O2 -","- C384 H848 Al16 Mg16 N64 O32 -","16","2","","Schnitzler, Silvia; Spaniol, Thomas P.; Okuda, Jun","Reactivity of a Molecular Magnesium Hydride Featuring a Terminal Magnesium-Hydrogen Bond.","Inorganic chemistry","2016","55","24","12997","13006","10.1021/acs.inorgchem.6b02509","","","0.71073","MoKα","","0.1355","0.0648","","","0.1323","0.1545","","","","","","1.017","","","","has coordinates","233866","2020-10-21","18:00:00",""
"4349336","10.861","0.002","11.054","0.002","20.918","0.004","98.482","0.004","90.449","0.004","117.07","0.003","2203.8","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H76 Al B Mg N4 O -","- C45 H76 Al B Mg N4 O -","- C90 H152 Al2 B2 Mg2 N8 O2 -","2","1","","Schnitzler, Silvia; Spaniol, Thomas P.; Okuda, Jun","Reactivity of a Molecular Magnesium Hydride Featuring a Terminal Magnesium-Hydrogen Bond.","Inorganic chemistry","2016","55","24","12997","13006","10.1021/acs.inorgchem.6b02509","","","0.71073","MoKα","","0.1041","0.0681","","","0.158","0.1694","","","","","","1.29","","","","has coordinates","233866","2020-10-21","18:00:00",""
"4349337","8.3425","0.0007","11.9337","0.0015","21.6641","0.0018","90","","90","","90","","2156.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Cu3 N13 O5 -","- C10 H12 Cu3 N13 O5 -","- C40 H48 Cu12 N52 O20 -","4","1","","Liu, Juan; Wang, Fei; Ding, Qing-Rong; Zhang, Jian","Synthesis of an Enantipure Tetrazole-Based Homochiral Cu<sup>I,II</sup>-MOF for Enantioselective Separation.","Inorganic chemistry","2016","55","24","12520","12522","10.1021/acs.inorgchem.6b02514","","","1.54184","CuKα","","0.0698","0.0608","","","0.1753","0.1868","","","","","","1.076","","","","has coordinates","233868","2020-10-21","18:00:00",""
"4349338","42.164","0.009","20.815","0.004","7.478","0.0015","90","","90","","90","","6563","2","100","0.2","100","0.2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C15 H15 N3 O7 Ti -","- C15 H15 N3 O7 Ti -","- C240 H240 N48 O112 Ti16 -","16","1","","Kim, Bongsu; Oh, Seung-Jin; Jo, Hongil; Ok, Kang Min","A Polar Titanium-Organic Chain with a Very Large Second-Harmonic-Generation Response.","Inorganic chemistry","2016","55","22","11635","11638","10.1021/acs.inorgchem.6b02536","","x-ray","0.7","","","0.1089","0.0899","","","0.2548","0.2769","","","","","","1.074","","","","has coordinates","233869","2020-10-21","18:00:00",""
"4349339","24.472","0.004","14.682","0.002","39.942","0.006","90","","90","","90","","14351","4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C80 H104 Mg2 N10 -","- C80 H104 Mg2 N10 -","- C640 H832 Mg16 N80 -","8","2","","Dhamija, Avinash; Ikbal, Sk Asif; Rath, Sankar Prasad","Induction and Rationalization of Supramolecular Chirality in the Tweezer-Diamine Complexes: Insights from Experimental and DFT Studies.","Inorganic chemistry","2016","55","24","13014","13026","10.1021/acs.inorgchem.6b02544","","","0.71073","MoKα","","0.2108","0.0838","","","0.1299","0.1811","","","","","","0.987","","","","has coordinates","233871","2020-10-21","18:00:00",""
"4349340","13.5777","0.0009","14.3089","0.001","22.2385","0.0015","84.186","0.002","72.658","0.001","63.291","0.001","3681.4","0.4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C82 H92 Mg2 N10 O -","- C82 H92 Mg2 N10 O -","- C164 H184 Mg4 N20 O2 -","2","2","","Dhamija, Avinash; Ikbal, Sk Asif; Rath, Sankar Prasad","Induction and Rationalization of Supramolecular Chirality in the Tweezer-Diamine Complexes: Insights from Experimental and DFT Studies.","Inorganic chemistry","2016","55","24","13014","13026","10.1021/acs.inorgchem.6b02544","","","0.71073","MoKα","","0.122","0.0705","","","0.1431","0.1654","","","","","","1.02","","","","has coordinates,has disorder","233872","2020-10-21","18:00:00",""
"4349341","38.968","0.005","14.133","0.001","25.105","0.002","90","","94.689","0.009","90","","13780","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C99.45 F48 N S0.91 Y -","- C99.422 F48 N S0.9083 Y -","- C795.376 F384 N8 S7.2664 Y8 -","8","1","","Jin, Fei; Wang, Song; Yang, Shangfeng; Tamm, Nadezhda B.; Ioffe, Ilya N.; Troyanov, Sergey I.","Trifluoromethyl Derivatives of a Monometallic Cyanide Cluster Fullerene, YCN@C<sub>82</sub>(6)(CF<sub>3</sub>)<sub>16/18</sub>.","Inorganic chemistry","2016","55","24","12523","12526","10.1021/acs.inorgchem.6b02556","","","0.895","synchrotron","","0.1326","0.0588","","","0.1282","0.1523","","","","","","1.02","","","","has coordinates","233875","2020-10-21","18:00:00",""
"4349342","24.052","0.002","33.256","0.003","23.779","0.001","90","","90","","90","","19020","2","100","2","100","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C103.1 H1.4 Cl0.7 F54 N Y -","- C101 Cl0.7 F54 N Y -","- C808 Cl5.6 F432 N8 Y8 -","8","0.5","","Jin, Fei; Wang, Song; Yang, Shangfeng; Tamm, Nadezhda B.; Ioffe, Ilya N.; Troyanov, Sergey I.","Trifluoromethyl Derivatives of a Monometallic Cyanide Cluster Fullerene, YCN@C<sub>82</sub>(6)(CF<sub>3</sub>)<sub>16/18</sub>.","Inorganic chemistry","2016","55","24","12523","12526","10.1021/acs.inorgchem.6b02556","","","0.895","synchrotron","","0.1836","0.1191","","","0.2756","0.2898","","","","","","1.532","","","","has coordinates","233877","2020-10-21","18:00:00",""
"4349343","13.6015","0.0008","7.9204","0.0005","22.5448","0.0013","90","","103.904","0.002","90","","2357.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Cl N4 O3 Re S -","- C14 H8 Cl N4 O3 Re S -","- C56 H32 Cl4 N16 O12 Re4 S4 -","4","1","","Osinski, Allen J.; Blesener, Tanner; Hasheminasab, Abed; Holstrom, Cole; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","Re(CO)<sub>3</sub>-Templated Synthesis of Semihemiporphyrazines.","Inorganic chemistry","2016","55","24","12527","12530","10.1021/acs.inorgchem.6b02558","","","1.54178","CuKα","","0.0496","0.0475","","","0.127","0.1289","","","","","","1.109","","","","has coordinates","233879","2020-10-21","18:00:00",""
"4349344","11.2046","0.001","14.4386","0.0014","14.7316","0.0013","68.906","0.003","79.798","0.003","79.828","0.004","2171.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Cl N5 O4 Re -","- C22 H19 Cl N5 O4 Re -","- C88 H76 Cl4 N20 O16 Re4 -","4","2","","Osinski, Allen J.; Blesener, Tanner; Hasheminasab, Abed; Holstrom, Cole; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","Re(CO)<sub>3</sub>-Templated Synthesis of Semihemiporphyrazines.","Inorganic chemistry","2016","55","24","12527","12530","10.1021/acs.inorgchem.6b02558","","","1.54178","CuKα","","0.0261","0.0245","","","0.0626","0.0647","","","","","","1.035","","","","has coordinates","233879","2020-10-21","18:00:00",""
"4349345","13.82","0.008","13.687","0.008","21.516","0.016","90","","93.216","0.005","90","","4063","5","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C20 H18 Cl N4 O4 Re -","- C20 H18 Cl N4 O4 Re -","- C160 H144 Cl8 N32 O32 Re8 -","8","1","","Osinski, Allen J.; Blesener, Tanner; Hasheminasab, Abed; Holstrom, Cole; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","Re(CO)<sub>3</sub>-Templated Synthesis of Semihemiporphyrazines.","Inorganic chemistry","2016","55","24","12527","12530","10.1021/acs.inorgchem.6b02558","","","0.71073","MoKα","","0.0333","0.0296","","","0.073","0.0753","","","","","","1.097","","","","has coordinates","233879","2020-10-21","18:00:00",""
"4349346","7.5308","0.0005","10.2739","0.0007","13.1559","0.0009","80.679","0.003","85.321","0.004","89.679","0.004","1001.06","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H16 Br N4 O4 Re S -","- C18 H16 Br N4 O4 Re S -","- C36 H32 Br2 N8 O8 Re2 S2 -","2","1","","Osinski, Allen J.; Blesener, Tanner; Hasheminasab, Abed; Holstrom, Cole; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","Re(CO)<sub>3</sub>-Templated Synthesis of Semihemiporphyrazines.","Inorganic chemistry","2016","55","24","12527","12530","10.1021/acs.inorgchem.6b02558","","","0.71073","MoKα","","0.045","0.0406","","","0.0957","0.0986","","","","","","1.042","","","","has coordinates","233879","2020-10-21","18:00:00",""
"4349347","25.0765","0.0012","13.8489","0.0007","13.825","0.0008","90","","120.778","0.002","90","","4125","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Br N4 O4 Re -","- C20 H18 Br N4 O4 Re -","- C160 H144 Br8 N32 O32 Re8 -","8","1","","Osinski, Allen J.; Blesener, Tanner; Hasheminasab, Abed; Holstrom, Cole; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","Re(CO)<sub>3</sub>-Templated Synthesis of Semihemiporphyrazines.","Inorganic chemistry","2016","55","24","12527","12530","10.1021/acs.inorgchem.6b02558","","","1.54178","CuKα","","0.0287","0.0258","","","0.0623","0.0643","","","","","","1.043","","","","has coordinates","233879","2020-10-21","18:00:00",""
"4349348","10.33293","0.00013","13.35619","0.00019","18.9458","0.0002","90","","96.295","0.0012","90","","2598.92","0.06","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cl2 Ir2 N4 O -","- C24 H30 Cl2 Ir2 N4 O -","- C96 H120 Cl8 Ir8 N16 O4 -","4","1","","Iali, Wissam; Green, Gary G. R.; Hart, Sam J.; Whitwood, Adrian C.; Duckett, Simon B.","Iridium Cyclooctene Complex That Forms a Hyperpolarization Transfer Catalyst before Converting to a Binuclear C-H Bond Activation Product Responsible for Hydrogen Isotope Exchange.","Inorganic chemistry","2016","55","22","11639","11643","10.1021/acs.inorgchem.6b02560","","x-ray","0.7107","MoKα","","0.0332","0.0283","","","0.0631","0.0654","","","","","","1.116","","","","has coordinates","233882","2020-10-21","18:00:00",""
"4349349","39.287","0.002","12.3049","0.0007","8.9973","0.0005","90","","94.218","0.006","90","","4337.7","0.4","110.05","0.1","110.05","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Cl Ir N2 -","- C18 H26 Cl Ir N2 -","- C144 H208 Cl8 Ir8 N16 -","8","1","","Iali, Wissam; Green, Gary G. R.; Hart, Sam J.; Whitwood, Adrian C.; Duckett, Simon B.","Iridium Cyclooctene Complex That Forms a Hyperpolarization Transfer Catalyst before Converting to a Binuclear C-H Bond Activation Product Responsible for Hydrogen Isotope Exchange.","Inorganic chemistry","2016","55","22","11639","11643","10.1021/acs.inorgchem.6b02560","","x-ray","1.54184","CuKα","","0.0771","0.0727","","","0.1612","0.1639","","","","","","1.081","","","","has coordinates,has disorder","233884","2020-10-21","18:00:00",""
"4349350","16.4575","0.0004","17.2962","0.0004","22.7986","0.0005","90","","90","","90","","6489.7","0.3","110.05","0.1","110.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H44 F6 Ir N2 P -","- C32 H44 F6 Ir N2 P -","- C256 H352 F48 Ir8 N16 P8 -","8","1","","Iali, Wissam; Green, Gary G. R.; Hart, Sam J.; Whitwood, Adrian C.; Duckett, Simon B.","Iridium Cyclooctene Complex That Forms a Hyperpolarization Transfer Catalyst before Converting to a Binuclear C-H Bond Activation Product Responsible for Hydrogen Isotope Exchange.","Inorganic chemistry","2016","55","22","11639","11643","10.1021/acs.inorgchem.6b02560","","x-ray","1.54184","CuKα","","0.0426","0.0293","","","0.0715","0.0783","","","","","","1.008","","","","has coordinates,has disorder","233886","2020-10-21","18:00:00",""
"4349361","41.393","0.002","41.393","0.002","41.393","0.002","90","","90","","90","","70922","6","296","2","296","2","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C16 H12 N20 O8 Zn3 -","- C16 H12 N20 O8 Zn3 -","- C768 H576 N960 O384 Zn144 -","48","0.5","","Jiang, Zhi-Qiang; Wang, Fei; Zhang, Jian","Adsorption of Iodine Based on a Tetrazolate Framework with Microporous Cages and Mesoporous Cages.","Inorganic chemistry","2016","55","24","13035","13038","10.1021/acs.inorgchem.6b02696","","","0.71073","MoKα","","0.1625","0.1444","","","0.4236","0.4438","","","","","","1.909","","","","has coordinates","233895","2020-10-21","18:00:00",""
"4350826","6.6218","","6.6218","","6.6218","","90","","90","","90","","290.354","","","","","","","","","","","","","1","I a -3","-I 2b 2c 3","206","Si III_Ia-3 BC8","","","- Si -","- Si1.9998 -","- Si15.9984 -","8","0.166667","","Kurakevych, Oleksandr O.; Le Godec, Yann; Crichton, Wilson A.; Guignard, Jérémy; Strobel, Timothy A.; Zhang, Haidong; Liu, Hanyu; Coelho Diogo, Cristina; Polian, Alain; Menguy, Nicolas; Juhl, Stephen J.; Gervais, Christel","Synthesis of Bulk BC8 Silicon Allotrope by Direct Transformation and Reduced-Pressure Chemical Pathways","Inorganic Chemistry","2016","55","17","8943","8950","10.1021/acs.inorgchem.6b01443","","","","","","","","","","","","","","","","","","","","","has coordinates","297572","2025-02-03","13:08:31",""
"4350837","4.5674","0.0001","4.5674","0.0001","4.5674","0.0001","90","","90","","90","","95.281","0.004","","","300","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Br Na3 O -","- Br Na2.967 O0.995 -","- Br Na2.967 O0.995 -","1","0.0208333","","Zhu, Jinlong; Wang, Yonggang; Li, Shuai; Howard, John W; Neuefeind, Jörg; Ren, Yang; Wang, Hui; Liang, Chengdu; Yang, Wenge; Zou, Ruqiang; Jin, Changqing; Zhao, Yusheng","Sodium Ion Transport Mechanisms in Antiperovskite Electrolytes Na3OBr and Na4OI2: An in Situ Neutron Diffraction Study.","Inorganic chemistry","2016","55","12","5993","5998","10.1021/acs.inorgchem.6b00444","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","301680","2025-08-07","13:55:52",""
"4350838","4.5774","0.0001","4.5774","0.0001","4.5774","0.0001","90","","90","","90","","95.908","0.004","","","400","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Br Na3 O -","- Br Na2.97 O0.996 -","- Br Na2.97 O0.996 -","1","0.0208333","","Zhu, Jinlong; Wang, Yonggang; Li, Shuai; Howard, John W; Neuefeind, Jörg; Ren, Yang; Wang, Hui; Liang, Chengdu; Yang, Wenge; Zou, Ruqiang; Jin, Changqing; Zhao, Yusheng","Sodium Ion Transport Mechanisms in Antiperovskite Electrolytes Na3OBr and Na4OI2: An in Situ Neutron Diffraction Study.","Inorganic chemistry","2016","55","12","5993","5998","10.1021/acs.inorgchem.6b00444","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","301680","2025-08-07","13:56:05",""
"4350839","4.5858","0.0003","4.5858","0.0003","4.5858","0.0003","90","","90","","90","","96.437","0.011","","","500","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Br Na3 O -","- Br Na2.976 O0.995 -","- Br Na2.976 O0.995 -","1","0.0208333","","Zhu, Jinlong; Wang, Yonggang; Li, Shuai; Howard, John W; Neuefeind, Jörg; Ren, Yang; Wang, Hui; Liang, Chengdu; Yang, Wenge; Zou, Ruqiang; Jin, Changqing; Zhao, Yusheng","Sodium Ion Transport Mechanisms in Antiperovskite Electrolytes Na3OBr and Na4OI2: An in Situ Neutron Diffraction Study.","Inorganic chemistry","2016","55","12","5993","5998","10.1021/acs.inorgchem.6b00444","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","301680","2025-08-07","13:56:24",""
"4350840","4.6902","0.0003","4.6902","0.0003","16.0086","0.001","90","","90","","90","","352.16","0.04","","","300","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- I2 Na4 O -","- I2 Na3.93 O0.983 -","- I4 Na7.86 O1.966 -","2","0.0625","","Zhu, Jinlong; Wang, Yonggang; Li, Shuai; Howard, John W; Neuefeind, Jörg; Ren, Yang; Wang, Hui; Liang, Chengdu; Yang, Wenge; Zou, Ruqiang; Jin, Changqing; Zhao, Yusheng","Sodium Ion Transport Mechanisms in Antiperovskite Electrolytes Na3OBr and Na4OI2: An in Situ Neutron Diffraction Study.","Inorganic chemistry","2016","55","12","5993","5998","10.1021/acs.inorgchem.6b00444","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","301680","2025-08-07","13:56:28",""
"4350841","4.7053","0.0003","4.7053","0.0003","16.0536","0.0012","90","","90","","90","","355.42","0.04","","","400","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- I2 Na4 O -","- I2 Na3.922 O0.98 -","- I4 Na7.844 O1.96 -","2","0.0625","","Zhu, Jinlong; Wang, Yonggang; Li, Shuai; Howard, John W; Neuefeind, Jörg; Ren, Yang; Wang, Hui; Liang, Chengdu; Yang, Wenge; Zou, Ruqiang; Jin, Changqing; Zhao, Yusheng","Sodium Ion Transport Mechanisms in Antiperovskite Electrolytes Na3OBr and Na4OI2: An in Situ Neutron Diffraction Study.","Inorganic chemistry","2016","55","12","5993","5998","10.1021/acs.inorgchem.6b00444","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","301680","2025-08-07","13:56:37",""
"4350842","4.6729","0.0001","4.6729","0.0001","15.9556","0.0005","90","","90","","90","","348.406","0.015","","","500","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- I2 Na4 O -","- I2 Na3.928 O0.982 -","- I4 Na7.856 O1.964 -","2","0.0625","","Zhu, Jinlong; Wang, Yonggang; Li, Shuai; Howard, John W; Neuefeind, Jörg; Ren, Yang; Wang, Hui; Liang, Chengdu; Yang, Wenge; Zou, Ruqiang; Jin, Changqing; Zhao, Yusheng","Sodium Ion Transport Mechanisms in Antiperovskite Electrolytes Na3OBr and Na4OI2: An in Situ Neutron Diffraction Study.","Inorganic chemistry","2016","55","12","5993","5998","10.1021/acs.inorgchem.6b00444","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","301680","2025-08-07","13:56:39",""
"5000264","11.816","0.003","10.294","0.004","21.255","0.004","90","","107.6","0.2","90","","2464.31","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H40 O8 -","- C25 H36 O7 -","- C100 H144 O28 -","4","2","","Roussis, Vassilios; Wu, Zhongde; Fenical, William; Strobel, Scott A.; Van Duyne, Gregory D.; Clardy, Jon","New anti-inflammatory pseudopterosins from the marine octocoral Pseudopterogorgia elisabethae","Journal of Organic Chemistry","1990","55","16","4916","4922","10.1021/jo00303a030","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"6000053","9.622","","10.921","","11.42","","100.73","","94.04","","108.08","","1110.22","","","","","","","","","","","","","6","P -1","","","","","","- C22 H20 Cl2 Cu2 N4 O3 -","","","","","","Kara, H.; Elerman, Y.; Prout, K.","Synthesis, crystal structure and magnetic properties of a (μ-hydroxo)(μ-pyrazolato) dicopper(II) complex","Zeitschrift für Naturforschung B","2000","55","9","796","802","10.1515/znb-2000-0903","","","","","","","","","","","","","","","","","","","","","","174973","2020-10-21","18:00:00",""
"6000104","9.897","","13.337","","9.037","","90","","90","","90","","1192.85","","","","","","","","","","","","","4","P m m n","","","","","","- C12 H42 B10 N2 -","","","","","","Hofmann, K.; Albert, B.","Crystal structure of bis(triethylammonium)closo-decahydrodecaborate, [(C~2~H~5~)~3~NH]~2~[B~10~H~10~]","Zeitschrift für Naturforschung B","2000","55","6","499","503","10.1515/znb-2000-0610","","","","","","","","","","","","","","","","","","","","","","174974","2020-10-21","18:00:00",""
"6000151","9.163","","9.163","","25.014","","90","","90","","120","","1818.82","","","","","","","","","","","","","4","R -3","","","","","","- Cl18 Nb6 Rb Ti -","","","","","","Nägele, A.; Anokhina, E.; Sitar, J.; Meyer, H. J.; Lachgar, A.","Synthesis and crystal structures of ATi[Nb~6~Cl~18~] compounds (A = K, Rb, Cs, In, Tl)","Zeitschrift für Naturforschung B","2000","55","2","139","144","10.1515/znb-2000-0202","","","","","","","","","","","","","","","","","","","","","","174975","2020-10-21","18:00:00",""
"6000152","9.1075","","9.1075","","17.0017","","90","","90","","120","","1221.3","","","","","","","","","","","","","0","P -3","","","","","","?","","","","","","Nägele, A.; Anokhina, E.; Sitar, J.; Meyer, H. J.; Lachgar, A.","Synthesis and crystal structures of ATi[Nb~6~Cl~18~] compounds (A = K, Rb, Cs, In, Tl)","Zeitschrift für Naturforschung B","2000","55","2","139","144","10.1515/znb-2000-0202","","","","","","","","","","","","","","","","","","","","","","174975","2020-10-21","18:00:00",""
"6000193","12.8902","0.0001","12.8902","0.0001","12.8902","0.0001","90","","90","","90","","2141.8","0.03","295","","","","","","","","","","","3","F m -3 m","-F 4 2 3","","","","","- C13 H36 Si4 -","- C130.6 Si48 -","- C522.4 Si192 -","4","0.0208333","SE0261","Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander","Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~","Acta Crystallographica Section B","1999","55","6","1014","1029","10.1107/S0108768199006126","","","0.82488","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"6000194","13.5218","0.0001","13.5218","0.0001","13.5218","0.0001","90","","90","","90","","2472.31","0.03","295","","","","","","","","","","","3","F m -3 m","-F 4 2 3","","","","","- C12 H36 Si5 -","- C120 Si49 -","- C480 Si196 -","4","0.0208333","SE0261","Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander","Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~","Acta Crystallographica Section B","1999","55","6","1014","1029","10.1107/S0108768199006126","","","1.14946","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"6000195","13.17158","0.00006","13.17158","0.00006","13.17158","0.00006","90","","90","","90","","2285.14","0.018","200","","200","","","","","","","","","3","P 21 3","P 2ac 2ab 3","","","","","- C12 H36 Si5 -","- C18 H54 Si5 -","- C72 H216 Si20 -","4","0.333333","SE0261","Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander","Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~","Acta Crystallographica Section B","1999","55","6","1014","1029","10.1107/S0108768199006126","","","1.14946","synchrotron","","","","","","","","","","","","","","","","","has coordinates","188515","2020-10-21","18:00:00",""
"6000196","12.609","0.003","12.609","0.003","12.609","0.003","90","","90","","90","","2004.7","0.8","150","","150","","","","","","","","","3","P 21 3","P 2ac 2ab 3","","","","","- C13 H36 Si4 -","- C19 H54 Si4 -","- C76 H216 Si16 -","4","0.333333","SE0261","Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander","Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~","Acta Crystallographica Section B","1999","55","6","1014","1029","10.1107/S0108768199006126","","","0.82488","synchrotron","","","","","","","","","","","","","","","","","has coordinates","188515","2020-10-21","18:00:00",""
"6000197","12.7876","0.0001","12.7876","0.0001","12.7876","0.0001","90","","90","","90","","2091.06","0.03","260","","260","","","","","","","","","3","P a -3","-P 2ac 2ab 3","","","","","- C13 H36 Si4 -","- C19 Si4 -","- C76 Si16 -","4","0.166667","SE0261","Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander","Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~","Acta Crystallographica Section B","1999","55","6","1014","1029","10.1107/S0108768199006126","","","0.82488","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176292","2020-10-21","18:00:00",""
"6000198","16.96","0.0006","8.1382","0.0002","11.781","0.0002","90","","104.777","0.002","90","","1572.28","0.07","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4,6-Tri-isopropylbenzenesulfonamide","","- C15 H25 N O2 S -","- C15 H25 N O2 S -","- C60 H100 N4 O8 S4 -","4","1","FG0009","Tremayne, Maryjane; MacLean, Elizabeth J.; Tang, Chiu C.; Glidewell, Christopher","2,4,6-Triisopropylbenzenesulfonamide: Monte Carlo structure solution from X-ray powder diffraction data for a molecular system containing four independent asymmetric rotors","Acta Crystallographica Section B","1999","55","6","1068","1074","10.1107/S0108768199006060","","","1.3","synchrotron","","","","","","","","","","2.97","","","","","","","has coordinates","301845","2025-08-21","10:22:19",""
"6000234","7.9362","","5.9639","","18.4416","","90","","91.325","","90","","872.62","","","","","","","","","","","","","4","P 1 2/c 1","","","","","","- Ba3 Er Ga2 O7.5 -","","","","","","Abakumov, A. M.; Shpanchenko, R. V.; Lebedev, O. I.; Van, Tendeloo G; Amelinckx, S.; Antipov, E. V.","The phase transitions and crystal structures of Ba3RM2O7.5 complex oxides (R = rare-earth elements, m = Al, Ga)","Acta Crystallographica Section A","1999","55","5","828","839","10.1107/S0108767399002068","","","","","","","","","","","","","","","","","","","","","","174685","2020-10-21","18:00:00",""
"7122791","16.768","0.009","7.666","0.004","10.656","0.006","90","","101.466","0.013","90","","1342.4","1.3","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H24 I9 N3 Pt -","- C6 H4 I9 N3 Pt -","- C12 H8 I18 N6 Pt2 -","2","0.25","","Evans, Hayden A.; Andrews, Jessica L.; Fabini, Douglas H.; Preefer, Molleigh B.; Wu, Guang; Cheetham, Anthony K.; Wudl, Fred; Seshadri, Ram","The capricious nature of iodine catenation in I<sub>2</sub> excess, perovskite-derived hybrid Pt(iv) compounds.","Chemical communications (Cambridge, England)","2018","55","5","588","","10.1039/c8cc07536k","","","0.71073","MoKα","","0.098","0.0634","","","0.1348","0.1477","","","","","","1.062","","","","has coordinates","212905","2020-10-21","18:00:00",""
"7122792","12.768","0.009","13.016","0.009","14.519","0.01","110.556","0.017","102.736","0.019","93.865","0.019","2176","3","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H12 I8 N6 Pt -","- C2 I8 N6 Pt -","- C8 I32 N24 Pt4 -","4","2","","Evans, Hayden A.; Andrews, Jessica L.; Fabini, Douglas H.; Preefer, Molleigh B.; Wu, Guang; Cheetham, Anthony K.; Wudl, Fred; Seshadri, Ram","The capricious nature of iodine catenation in I<sub>2</sub> excess, perovskite-derived hybrid Pt(iv) compounds.","Chemical communications (Cambridge, England)","2018","55","5","588","","10.1039/c8cc07536k","","","0.71073","MoKα","","0.1456","0.0817","","","0.1936","0.2316","","","","","","0.977","","","","has coordinates","212905","2020-10-21","18:00:00",""
"7122793","17.0199","0.0019","7.8309","0.0009","10.837","0.0015","90","","101.705","0.008","90","","1414.3","0.3","264","2","264","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H24 I9 N3 Pt -","- C6 H4 I9 N3 Pt -","- C12 H8 I18 N6 Pt2 -","2","0.25","","Evans, Hayden A.; Andrews, Jessica L.; Fabini, Douglas H.; Preefer, Molleigh B.; Wu, Guang; Cheetham, Anthony K.; Wudl, Fred; Seshadri, Ram","The capricious nature of iodine catenation in I<sub>2</sub> excess, perovskite-derived hybrid Pt(iv) compounds.","Chemical communications (Cambridge, England)","2018","55","5","588","","10.1039/c8cc07536k","","","0.71073","MoKα","","0.1329","0.058","","","0.0791","0.085","","","","","","1.533","","","","has coordinates","212905","2020-10-21","18:00:00",""
"7122794","12.379","0.007","12.379","0.007","7.833","0.005","90","","90","","90","","1200.3","1.2","270","2","270","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C2 H20 I10 N4 Pt -","- C2 H10 I10 N4 Pt -","- C4 H20 I20 N8 Pt2 -","2","0.125","","Evans, Hayden A.; Andrews, Jessica L.; Fabini, Douglas H.; Preefer, Molleigh B.; Wu, Guang; Cheetham, Anthony K.; Wudl, Fred; Seshadri, Ram","The capricious nature of iodine catenation in I<sub>2</sub> excess, perovskite-derived hybrid Pt(iv) compounds.","Chemical communications (Cambridge, England)","2018","55","5","588","","10.1039/c8cc07536k","","","0.71073","MoKα","","0.0574","0.0337","","","0.0408","0.0441","","","","","","1.208","","","","has coordinates","212905","2020-10-21","18:00:00",""
"7122795","12.3499","0.0019","12.3499","0.0019","7.7278","0.0013","90","","90","","90","","1178.6","0.3","100","2","100","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C2 H10 I10 N4 Pt -","- C2 H10 I10 N4 Pt -","- C4 H20 I20 N8 Pt2 -","2","0.125","","Evans, Hayden A.; Andrews, Jessica L.; Fabini, Douglas H.; Preefer, Molleigh B.; Wu, Guang; Cheetham, Anthony K.; Wudl, Fred; Seshadri, Ram","The capricious nature of iodine catenation in I<sub>2</sub> excess, perovskite-derived hybrid Pt(iv) compounds.","Chemical communications (Cambridge, England)","2018","55","5","588","","10.1039/c8cc07536k","","","0.71073","MoKα","","0.0258","0.0217","","","0.0412","0.0422","","","","","","1.047","","","","has coordinates","212905","2020-10-21","18:00:00",""
"7122870","10.442","0.002","4.8336","0.0011","12.394","0.003","90","","112.794","0.005","90","","576.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl2 O -","- C12 H12 Cl2 O -","- C24 H24 Cl4 O2 -","2","1","","Xiang, Ming; Luo, Guoshun; Wang, Yuankai; Krische, Michael J.","Enantioselective iridium-catalyzed carbonyl isoprenylation via alcohol-mediated hydrogen transfer.","Chemical communications (Cambridge, England)","2019","55","7","981","","10.1039/c8cc09706b","","","0.71073","MoKα","","0.0305","0.0278","","","0.0648","0.066","","","","","","1.081","","","","has coordinates","301860","2025-08-22","09:26:33",""
"7122950","9.4773","0.0009","13.6425","0.0013","17.4442","0.0017","69.381","0.003","75.821","0.003","87.618","0.003","2044.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H38 Cl2 N2 -","- C53 H38 Cl2 N2 -","- C106 H76 Cl4 N4 -","2","1","","Wang, Huan; Li, Yiru; Zhang, Yiyao; Mei, Ju; Su, Jianhua","A new strategy for achieving single-molecular white-light emission: using vibration-induced emission (VIE) plus aggregation-induced emission (AIE) mechanisms as a two-pronged approach.","Chemical communications (Cambridge, England)","2019","55","13","1879","","10.1039/c8cc08513g","","","0.71073","MoKα","","0.0789","0.054","","","0.1313","0.1505","","","","","","1.017","","","","has coordinates","301860","2025-08-22","09:26:33",""
"7123323","10.1109","0.0012","10.1109","0.0012","10.1109","0.0012","90","","90","","90","","1033.6","0.2","173","2","173","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","Pn","","","- Fe15.46 Ni20.54 S32 -","- Fe15.52 Ni20.44 S32 -","- Fe15.52 Ni20.44 S32 -","1","0.00520833","","Smialkowski, Mathias; Siegmund, Daniel; Pellumbi, Kevinjeorjios; Hensgen, Lars; Antoni, Hendrik; Muhler, Martin; Apfel, Ulf-Peter","Seleno-Analogous of Pentlandite (Fe4.5Ni4.5S8-ySey, Y = 1-6): Tuning bulk Fe/Ni Sulphoselenides for Hydrogen Evolution","Chemical Communications","2019","55","60","8792","8795","10.1039/C9CC01842E","","","0.71073","MoKα","","0.0136","0.0136","","","0.0365","0.0365","","","","","","1.255","","","","has coordinates,has disorder","264425","2021-04-22","18:03:06",""
"7123324","10.1234","0.0003","10.1234","0.0003","10.1234","0.0003","90","","90","","90","","1037.48","0.05","103","2","103","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Se1","","","- Fe18.63 Ni17.37 S28.1 Se3.9 -","- Fe18.68 Ni17.32 S28.112 Se3.888 -","- Fe18.68 Ni17.32 S28.112 Se3.888 -","1","0.00520833","","Smialkowski, Mathias; Siegmund, Daniel; Pellumbi, Kevinjeorjios; Hensgen, Lars; Antoni, Hendrik; Muhler, Martin; Apfel, Ulf-Peter","Seleno-Analogous of Pentlandite (Fe4.5Ni4.5S8-ySey, Y = 1-6): Tuning bulk Fe/Ni Sulphoselenides for Hydrogen Evolution","Chemical Communications","2019","55","60","8792","8795","10.1039/C9CC01842E","","","0.71073","MoKα","","0.0105","0.0104","","","0.0229","0.0229","","","","","","1.067","","","","has coordinates,has disorder","264425","2021-04-22","18:03:07",""
"7123325","10.3275","0.0002","10.3275","0.0002","10.3275","0.0002","90","","90","","90","","1101.5","0.04","103","2","103","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Se4","","","- Fe20.12 Ni15.88 S17.14 Se14.86 -","- Fe20.04 Ni15.96 S17.152 Se14.848 -","- Fe20.04 Ni15.96 S17.152 Se14.848 -","1","0.00520833","","Smialkowski, Mathias; Siegmund, Daniel; Pellumbi, Kevinjeorjios; Hensgen, Lars; Antoni, Hendrik; Muhler, Martin; Apfel, Ulf-Peter","Seleno-Analogous of Pentlandite (Fe4.5Ni4.5S8-ySey, Y = 1-6): Tuning bulk Fe/Ni Sulphoselenides for Hydrogen Evolution","Chemical Communications","2019","55","60","8792","8795","10.1039/C9CC01842E","","","0.71073","MoKα","","0.0213","0.021","","","0.0537","0.0538","","","","","","1.309","","","","has coordinates,has disorder","264425","2021-04-22","18:03:07",""
"7125354","34.603","0.002","9.5694","0.0006","20.2633","0.0012","90","","120.599","0.002","90","","5775.5","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Fentanyl citrate hydrate","","- C224 H306 N16 O74 -","- C224 H304 N16 O73 -","- C224 H304 N16 O73 -","1","0.125","","Barbas, Rafael; Prohens, Rafel; Bauzá, Antonio; Franconetti, Antonio; Frontera, Antonio","H-Bonded anion-anion complexes in fentanyl citrate polymorphs and solvates.","Chemical communications (Cambridge, England)","2019","55","1","115","118","10.1039/c8cc09028a","","","0.71073","MoKα","","0.0766","0.0516","","","0.1193","0.1329","","","","","","1.018","","","","has coordinates,has disorder","236779","2020-10-21","18:00:00",""
"7125355","17.904","0.0012","9.6858","0.0006","19.3593","0.0013","90","","108.125","0.003","90","","3190.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Fentanyl citrate toluene solvate","","- C35 H44 N2 O8 -","- C35 H44 N2 O8 -","- C140 H176 N8 O32 -","4","1","","Barbas, Rafael; Prohens, Rafel; Bauzá, Antonio; Franconetti, Antonio; Frontera, Antonio","H-Bonded anion-anion complexes in fentanyl citrate polymorphs and solvates.","Chemical communications (Cambridge, England)","2019","55","1","115","118","10.1039/c8cc09028a","","","0.71073","MoKα","","0.0648","0.049","","","0.1363","0.1511","","","","","","1.053","","","","has coordinates","301860","2025-08-22","09:26:38",""
"7125356","8.963","0.0005","11.2533","0.0007","14.874","0.0009","109.411","0.002","96.728","0.002","107.486","0.002","1309.72","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Fentanyl citrate","","- C28 H36 N2 O8 -","- C28 H36 N2 O8 -","- C56 H72 N4 O16 -","2","1","","Barbas, Rafael; Prohens, Rafel; Bauzá, Antonio; Franconetti, Antonio; Frontera, Antonio","H-Bonded anion-anion complexes in fentanyl citrate polymorphs and solvates.","Chemical communications (Cambridge, England)","2019","55","1","115","118","10.1039/c8cc09028a","","","0.71073","MoKα","","0.0514","0.0406","","","0.1017","0.1083","","","","","","1.027","","","","has coordinates","301860","2025-08-22","09:26:38",""
"7125357","11.687","0.002","9.657","0.0019","11.95","0.002","90","","96.8","0.03","90","","1339.2","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cl2 N O2 S -","- C12 H11 Cl2 N O2 S -","- C48 H44 Cl8 N4 O8 S4 -","4","1","","Xie, Ming-Sheng; Zhao, Guo-Feng; Qin, Tao; Suo, Yong-Bo; Qu, Gui-Rong; Guo, Hai-Ming","Thiourea participation in [3+2] cycloaddition with donor-acceptor cyclopropanes: a domino process to 2-amino-dihydrothiophenes.","Chemical communications (Cambridge, England)","2019","55","11","1580","1583","10.1039/c8cc09595g","","","0.71073","MoKα","","0.1062","0.0954","","","0.2761","0.2893","","","","","","1.0563","","","","has coordinates,has disorder","301860","2025-08-22","09:26:38",""
"7125358","7.9156","0.0001","9.8147","0.0002","15.3289","0.0002","90","","90","","90","","1190.89","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O4 -","- C13 H14 O4 -","- C52 H56 O16 -","4","1","","Xie, Ming-Sheng; Zhao, Guo-Feng; Qin, Tao; Suo, Yong-Bo; Qu, Gui-Rong; Guo, Hai-Ming","Thiourea participation in [3+2] cycloaddition with donor-acceptor cyclopropanes: a domino process to 2-amino-dihydrothiophenes.","Chemical communications (Cambridge, England)","2019","55","11","1580","1583","10.1039/c8cc09595g","","","1.54184","CuKα","","0.0315","0.0314","","","0.085","0.0856","","","","","","1.056","","","","has coordinates","301860","2025-08-22","09:26:38",""
"7125359","7.583","0.0002","6.1506","0.0001","25.4866","0.0005","90","","95.003","0.002","90","","1184.17","0.04","294","","294","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 N O2 S -","- C12 H13 N O2 S -","- C48 H52 N4 O8 S4 -","4","2","","Xie, Ming-Sheng; Zhao, Guo-Feng; Qin, Tao; Suo, Yong-Bo; Qu, Gui-Rong; Guo, Hai-Ming","Thiourea participation in [3+2] cycloaddition with donor-acceptor cyclopropanes: a domino process to 2-amino-dihydrothiophenes.","Chemical communications (Cambridge, England)","2019","55","11","1580","1583","10.1039/c8cc09595g","","x-ray","1.54184","CuKα","","0.0453","0.0399","","","0.1009","0.1062","","","","","","1.0693","","","","has coordinates","301860","2025-08-22","09:26:38",""
"7125360","7.3625","0.0004","9.5369","0.0004","16.9216","0.0007","90","","94.933","0.004","90","","1183.76","0.1","293.67","0.1","293.67","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H6 N2 O2 S -","- C3 H6 N2 O2 S -","- C24 H48 N16 O16 S8 -","8","2","","Xie, Ming-Sheng; Zhao, Guo-Feng; Qin, Tao; Suo, Yong-Bo; Qu, Gui-Rong; Guo, Hai-Ming","Thiourea participation in [3+2] cycloaddition with donor-acceptor cyclopropanes: a domino process to 2-amino-dihydrothiophenes.","Chemical communications (Cambridge, England)","2019","55","11","1580","1583","10.1039/c8cc09595g","","x-ray","0.71073","MoKα","","0.0494","0.0399","","","0.0882","0.0934","","","","","","1.0733","","","","has coordinates","301860","2025-08-22","09:26:38",""
"7125361","14.0809","0.001","12.1296","0.0005","21.4422","0.001","90","","90","","90","","3662.2","0.3","291.37","0.11","291.37","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H20 N2 O6 S -","- C16 H20 N2 O6 S -","- C128 H160 N16 O48 S8 -","8","1","","Xie, Ming-Sheng; Zhao, Guo-Feng; Qin, Tao; Suo, Yong-Bo; Qu, Gui-Rong; Guo, Hai-Ming","Thiourea participation in [3+2] cycloaddition with donor-acceptor cyclopropanes: a domino process to 2-amino-dihydrothiophenes.","Chemical communications (Cambridge, England)","2019","55","11","1580","1583","10.1039/c8cc09595g","","x-ray","0.71073","MoKα","","0.0628","0.0474","","","0.1241","0.1385","","","","","","1.0479","","","","has coordinates","301860","2025-08-22","09:26:38",""
"7125362","13.051","0.014","18.73","0.02","19.67","0.02","90","","90.889","0.01","90","","4808","9","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C92 H90 N8 O16 -","- C92 H90 N8 O16 -","- C184 H180 N16 O32 -","2","0.5","","Kawano, Shin-Ichiro; Kawada, Sae; Kitagawa, Yasutaka; Teramoto, Rena; Nakano, Masayoshi; Tanaka, Kentaro","Near-infrared absorption by intramolecular charge-transfer transition in 5,10,15,20-tetra(N-carbazolyl)porphyrin through protonation.","Chemical communications (Cambridge, England)","2019","55","20","2992","2995","10.1039/c8cc09667h","","","0.71075","MoKα","","0.096","0.0789","","","0.2119","0.227","","","","","","1.089","","","","has coordinates,has disorder","236784","2020-10-21","18:00:00",""
"7125363","33.668","0.002","33.668","0.002","33.668","0.002","90","","90","","90","","38164","4","100","2","100","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C96 H92 F12 N8 O28 S4 -","- C96 H92 F12 N8 O28 S4 -","- C1152 H1104 F144 N96 O336 S48 -","12","0.5","","Kawano, Shin-Ichiro; Kawada, Sae; Kitagawa, Yasutaka; Teramoto, Rena; Nakano, Masayoshi; Tanaka, Kentaro","Near-infrared absorption by intramolecular charge-transfer transition in 5,10,15,20-tetra(N-carbazolyl)porphyrin through protonation.","Chemical communications (Cambridge, England)","2019","55","20","2992","2995","10.1039/c8cc09667h","","","0.7015","synchrotron","","0.1354","0.1133","","","0.3122","0.3369","","","","","","1.349","","","","has coordinates","236784","2020-10-21","18:00:00",""
"7125364","28.8044","0.0017","13.8129","0.0008","17.8677","0.001","90","","91.37","0.001","90","","7107","0.7","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57.5 H48.5 Cl3.5 F24 N4 P4 -","- C56 H46 F24 N4 P4 -","- C224 H184 F96 N16 P16 -","4","1","","Cheng, Lin; Zhang, Haiyang; Dong, Yunhong; Zhao, Yanxia; Yu, Yang; Cao, Liping","Tetraphenylethene-based tetracationic cyclophanes and their selective recognition for amino acids and adenosine derivatives in water.","Chemical communications (Cambridge, England)","2019","55","16","2372","2375","10.1039/c9cc00599d","","","0.71073","MoKα","","0.1145","0.0998","","","0.2686","0.2799","","","","","","1.082","","","","has coordinates,has disorder","237827","2020-10-21","18:00:00",""
"7125365","39.9","0.011","9.539","0.003","26.857","0.008","90","","90","","90","","10222","5","153","2","153","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C108 H140 F24 N4 O8 P4 -","- C76 H60 F24 N4 P4 -","- C304 H240 F96 N16 P16 -","4","0.25","","Cheng, Lin; Zhang, Haiyang; Dong, Yunhong; Zhao, Yanxia; Yu, Yang; Cao, Liping","Tetraphenylethene-based tetracationic cyclophanes and their selective recognition for amino acids and adenosine derivatives in water.","Chemical communications (Cambridge, England)","2019","55","16","2372","2375","10.1039/c9cc00599d","","","0.71073","MoKα","","0.09","0.0729","","","0.2589","0.275","","","","","","1.125","","","","has coordinates,has disorder","237827","2020-10-21","18:00:00",""
"7125366","9.3179","0.0004","12.5656","0.0006","18.0807","0.0008","70.915","0.004","81.783","0.004","85.771","0.004","1979.25","0.16","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H67 Mg N3 O -","- C41 H67 Mg N3 O -","- C82 H134 Mg2 N6 O2 -","2","1","","Bole, Leonie J.; Davin, Laia; Kennedy, Alan R.; McLellan, Ross; Hevia, Eva","Magnesium-mediated arylation of amines via C-F bond activation of fluoroarenes.","Chemical communications (Cambridge, England)","2019","55","30","4339","4342","10.1039/c9cc01670h","","","0.71073","MoKα","","0.0925","0.0636","","","0.1507","0.1694","","","","","","1.026","","","","has coordinates,has disorder","237829","2020-10-21","18:00:00",""
"7125367","13.0738","0.0004","14.2398","0.0005","19.0456","0.0006","90","","92.872","0.003","90","","3541.2","0.2","123.4","","123.4","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C77 H98 Mg2 N10 -","- C77 H98 Mg2 N10 -","- C154 H196 Mg4 N20 -","2","0.5","","Bole, Leonie J.; Davin, Laia; Kennedy, Alan R.; McLellan, Ross; Hevia, Eva","Magnesium-mediated arylation of amines via C-F bond activation of fluoroarenes.","Chemical communications (Cambridge, England)","2019","55","30","4339","4342","10.1039/c9cc01670h","","","0.71073","MoKα","","0.0704","0.0497","","","0.1173","0.1297","","","","","","1.019","","","","has coordinates,has disorder","237829","2020-10-21","18:00:00",""
"7125368","18.4812","0.0009","18.3287","0.001","10.6762","0.0005","90","","90.832","0.004","90","","3616","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H51 Mg N3 -","- C41 H51 Mg N3 -","- C164 H204 Mg4 N12 -","4","1","","Bole, Leonie J.; Davin, Laia; Kennedy, Alan R.; McLellan, Ross; Hevia, Eva","Magnesium-mediated arylation of amines via C-F bond activation of fluoroarenes.","Chemical communications (Cambridge, England)","2019","55","30","4339","4342","10.1039/c9cc01670h","","","0.71073","MoKα","","0.0742","0.0474","","","0.1093","0.1224","","","","","","1.032","","","","has coordinates","301860","2025-08-22","09:26:38",""
"7125369","19.736","0.0005","20.5218","0.0004","17.9367","0.0004","90","","112.105","0.003","90","","6730.7","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75 H110 Mg2 N6 -","- C75 H110 Mg2 N6 -","- C300 H440 Mg8 N24 -","4","0.5","","Bole, Leonie J.; Davin, Laia; Kennedy, Alan R.; McLellan, Ross; Hevia, Eva","Magnesium-mediated arylation of amines via C-F bond activation of fluoroarenes.","Chemical communications (Cambridge, England)","2019","55","30","4339","4342","10.1039/c9cc01670h","","","1.54184","CuKα","","0.0588","0.0503","","","0.134","0.1421","","","","","","1.025","","","","has coordinates,has disorder","237829","2020-10-21","18:00:00",""
"7125370","21.231","0.008","21.328","0.008","20.064","0.007","90","","90","","90","","9085","6","100","2","100","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C56 H96 N4 O20 P4 S4 Zn4 -","- C56 H96 N4 O20 P4 S4 Zn4 -","- C224 H384 N16 O80 P16 S16 Zn16 -","4","0.5","","Sharma, Kamna; Gupta, Sandeep K.; Borah, Aditya; Murugavel, Ramaswamy","Hitherto unknown eight-connected frameworks formed from A<sub>4</sub>B<sub>4</sub>O<sub>12</sub> metal organophosphate heterocubanes.","Chemical communications (Cambridge, England)","2019","55","55","7994","7997","10.1039/c9cc01893j","","","0.71075","MoKα","","0.0741","0.0726","","","0.17","0.171","","","","","","1.092","","","","has coordinates,has disorder","301860","2025-08-22","09:26:38",""
"7125371","16.942","0.005","16.942","0.005","15.489","0.005","90","","90","","90","","4446","2","120","2","120","2","","","","","","","","6","I -4","I -4","82","","","","- C15 H24 N O6 P Zn -","- C15 H24 N O6 P Zn -","- C120 H192 N8 O48 P8 Zn8 -","8","1","","Sharma, Kamna; Gupta, Sandeep K.; Borah, Aditya; Murugavel, Ramaswamy","Hitherto unknown eight-connected frameworks formed from A<sub>4</sub>B<sub>4</sub>O<sub>12</sub> metal organophosphate heterocubanes.","Chemical communications (Cambridge, England)","2019","55","55","7994","7997","10.1039/c9cc01893j","","","0.71075","MoKα","","0.0297","0.0285","","","0.0708","0.0715","","","","","","1.042","","","","has coordinates","237833","2020-10-21","18:00:00",""
"7125372","18.2767","0.0004","18.2767","0.0004","30.7812","0.0009","90","","90","","90","","10282.1","0.4","396","2","150","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C36 H43 N8 O8 P2 Zn2 -","- C36 H43 N8 O8 P2 Zn2 -","- C288 H344 N64 O64 P16 Zn16 -","8","0.5","","Sharma, Kamna; Gupta, Sandeep K.; Borah, Aditya; Murugavel, Ramaswamy","Hitherto unknown eight-connected frameworks formed from A<sub>4</sub>B<sub>4</sub>O<sub>12</sub> metal organophosphate heterocubanes.","Chemical communications (Cambridge, England)","2019","55","55","7994","7997","10.1039/c9cc01893j","","","0.71075","MoKα","","0.1491","0.0955","","","0.2324","0.2683","","","","","","1.07","","","","has coordinates,has disorder","237833","2020-10-21","18:00:00",""
"7125373","16.7211","0.0002","16.7211","0.0002","15.5352","0.0004","90","","90","","90","","4343.57","0.13","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C14 H24 N O8 P Zn -","- C14 H24 N O8 P Zn -","- C112 H192 N8 O64 P8 Zn8 -","8","1","","Sharma, Kamna; Gupta, Sandeep K.; Borah, Aditya; Murugavel, Ramaswamy","Hitherto unknown eight-connected frameworks formed from A<sub>4</sub>B<sub>4</sub>O<sub>12</sub> metal organophosphate heterocubanes.","Chemical communications (Cambridge, England)","2019","55","55","7994","7997","10.1039/c9cc01893j","","","0.71073","MoKα","","0.0415","0.0393","","","0.1041","0.1067","","","","","","1.08","","","","has coordinates","237833","2020-10-21","18:00:00",""
"7125374","18.9546","0.0005","18.9546","0.0005","13.4969","0.0004","90","","90","","90","","4849.1","0.2","100","2","100","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C25 H19 Cu2 O12 -","- C25 H16 Cu2 O12 -","- C100 H64 Cu8 O48 -","4","0.25","","Hu, Falu; Huang, Pan; Di, Zhengyi; Wu, Mingyan; Jiang, Feilong; Hong, Maochun","A robust cage-based framework for the highly selective purification of natural gas.","Chemical communications (Cambridge, England)","2019","55","69","10257","10260","10.1039/c9cc03354h","","","1.54184","CuKα","","0.0831","0.0591","","","0.1609","0.1789","","","","","","0.977","","","","has coordinates","237836","2020-10-21","18:00:00",""
"7125375","9.0479","0.0009","10.7246","0.0011","25.204","0.003","90","","98.105","0.004","90","","2421.2","0.5","193","2","192.98","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50.04 H35.42 F6 Ir N4 O2 P S2 -","- C50.05 H35.7 F6 Ir N4 O2 P S2 -","- C100.1 H71.4 F12 Ir2 N8 O4 P2 S4 -","2","1","","Yan, Zhi-Ping; Liao, Kang; Han, Hua-Bo; Su, Jian; Zheng, You-Xuan; Zuo, Jing-Lin","Chiral iridium(iii) complexes with four-membered Ir-S-P-S chelating rings for high-performance circularly polarized OLEDs.","Chemical communications (Cambridge, England)","2019","55","57","8215","8218","10.1039/c9cc03915e","","","1.34139","GaKα","","0.0513","0.0456","","","0.114","0.1188","","","","","","1.025","","","","has coordinates,has disorder","237837","2020-10-21","18:00:00",""
"7125376","11.182","0.0006","15.6943","0.0008","30.695","0.0016","90","","90","","90","","5386.8","0.5","296","2","296.15","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50 H28 F6 Ir N4 O2 P S2 -","- C50 H28 F6 Ir N4 O2 P S2 -","- C200 H112 F24 Ir4 N16 O8 P4 S8 -","4","1","","Yan, Zhi-Ping; Liao, Kang; Han, Hua-Bo; Su, Jian; Zheng, You-Xuan; Zuo, Jing-Lin","Chiral iridium(iii) complexes with four-membered Ir-S-P-S chelating rings for high-performance circularly polarized OLEDs.","Chemical communications (Cambridge, England)","2019","55","57","8215","8218","10.1039/c9cc03915e","","","0.71073","MoKα","","0.076","0.0434","","","0.0971","0.1077","","","","","","0.9142","","","","has coordinates","237837","2020-10-21","18:00:00",""
"7125377","11.0991","0.0011","15.4078","0.0016","31.051","0.003","90","","90","","90","","5310.1","0.9","296","2","296.15","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50 H28 F6 Ir N4 O2 P S2 -","- C50 H28 F6 Ir N4 O2 P S2 -","- C200 H112 F24 Ir4 N16 O8 P4 S8 -","4","1","","Yan, Zhi-Ping; Liao, Kang; Han, Hua-Bo; Su, Jian; Zheng, You-Xuan; Zuo, Jing-Lin","Chiral iridium(iii) complexes with four-membered Ir-S-P-S chelating rings for high-performance circularly polarized OLEDs.","Chemical communications (Cambridge, England)","2019","55","57","8215","8218","10.1039/c9cc03915e","","","0.71073","MoKα","","0.0697","0.0525","","","0.1385","0.1479","","","","","","1.0186","","","","has coordinates","237837","2020-10-21","18:00:00",""
"7125378","9.0612","0.0005","10.7892","0.0006","25.3691","0.0014","90","","97.738","0.001","90","","2457.6","0.2","296","2","296.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H36 F6 Ir N4 O2 P S2 -","- C50 H36 F6 Ir N4 O2 P S2 -","- C100 H72 F12 Ir2 N8 O4 P2 S4 -","2","1","","Yan, Zhi-Ping; Liao, Kang; Han, Hua-Bo; Su, Jian; Zheng, You-Xuan; Zuo, Jing-Lin","Chiral iridium(iii) complexes with four-membered Ir-S-P-S chelating rings for high-performance circularly polarized OLEDs.","Chemical communications (Cambridge, England)","2019","55","57","8215","8218","10.1039/c9cc03915e","","","0.71073","MoKα","","0.0567","0.0435","","","0.094","0.0997","","","","","","0.9963","","","","has coordinates,has disorder","237837","2020-10-21","18:00:00",""
"7125379","8.7656","0.0013","10.8058","0.0015","19.768","0.003","95.71","0.008","99.202","0.008","112.242","0.008","1684.3","0.4","150","2","150.15","","","","","","","","","8","P -1","-P 1","2","","","","- C29 H16 Cl4 F6 N3 O8 P S2 -","- C29 H16 Cl4 F6 N3 O8 P S2 -","- C58 H32 Cl8 F12 N6 O16 P2 S4 -","2","1","","Waked, Alexander E.; Chitnis, Saurabh S.; Stephan, Douglas W.","P(v) dications: carbon-based Lewis acid initiators for hydrodefluorination.","Chemical communications (Cambridge, England)","2019","55","61","8971","8974","10.1039/c9cc04010b","","","0.71073","MoKα","","0.0492","0.0359","","","0.0886","0.0964","","","","","","1.0498","","","","has coordinates","301860","2025-08-22","09:26:38",""
"7125380","10.6663","0.0004","25.7596","0.001","16.1421","0.0007","90","","100.574","0.002","90","","4359.9","0.3","150","2","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H37 F6 N4 O9 P S2 -","- C43 H37 F6 N4 O9 P S2 -","- C172 H148 F24 N16 O36 P4 S8 -","4","1","","Waked, Alexander E.; Chitnis, Saurabh S.; Stephan, Douglas W.","P(v) dications: carbon-based Lewis acid initiators for hydrodefluorination.","Chemical communications (Cambridge, England)","2019","55","61","8971","8974","10.1039/c9cc04010b","","","0.71073","MoKα","","0.1131","0.0565","","","0.1249","0.1533","","","","","","1.0891","","","","has coordinates,has disorder","301860","2025-08-22","09:26:38",""
"7125381","9.1082","0.001","9.8312","0.001","9.9666","0.0011","93.655","0.001","98.898","0.001","90.006","0.001","879.88","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cl3 Co N4 -","- C14 H16 Cl3 Co N4 -","- C28 H32 Cl6 Co2 N8 -","2","1","","Sakaguchi, Yuto; Call, Arnau; Cibian, Mihaela; Yamauchi, Kosei; Sakai, Ken","An earth-abundant system for light-driven CO<sub>2</sub> reduction to CO using a pyridinophane iron catalyst.","Chemical communications (Cambridge, England)","2019","55","59","8552","8555","10.1039/c9cc04191e","","x-ray","0.71073","MoKα","","0.037","0.0332","","","0.0925","0.0961","","","","","","1.066","","","","has coordinates","237840","2020-10-21","18:00:00",""
"7125382","8.6064","0.0012","28.201","0.004","29.216","0.004","90","","90","","90","","7091","1.7","100","","100","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C14 H16 Cl2 N4 Zn -","- C14 H16 Cl2 N4 Zn -","- C224 H256 Cl32 N64 Zn16 -","16","0.5","","Sakaguchi, Yuto; Call, Arnau; Cibian, Mihaela; Yamauchi, Kosei; Sakai, Ken","An earth-abundant system for light-driven CO<sub>2</sub> reduction to CO using a pyridinophane iron catalyst.","Chemical communications (Cambridge, England)","2019","55","59","8552","8555","10.1039/c9cc04191e","","x-ray","0.71073","MoKα","","0.0397","0.0299","","","0.0784","0.0842","","","","","","1.07","","","","has coordinates","237840","2020-10-21","18:00:00",""
"7125383","9.1131","0.0016","11.477","0.002","18.784","0.003","98.812","0.002","92.127","0.002","91.893","0.002","1938.6","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H32 Cl4 Fe2 N8 O -","- C28 H32 Cl4 Fe2 N8 O -","- C56 H64 Cl8 Fe4 N16 O2 -","2","1","","Sakaguchi, Yuto; Call, Arnau; Cibian, Mihaela; Yamauchi, Kosei; Sakai, Ken","An earth-abundant system for light-driven CO<sub>2</sub> reduction to CO using a pyridinophane iron catalyst.","Chemical communications (Cambridge, England)","2019","55","59","8552","8555","10.1039/c9cc04191e","","x-ray","0.71073","MoKα","","0.0715","0.0588","","","0.1574","0.1645","","","","","","1.058","","","","has coordinates","237840","2020-10-21","18:00:00",""
"7125384","17.178","0.005","8.837","0.003","12.505","0.004","90","","112.309","0.003","90","","1756.2","1","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C28 H32 Cl4 N8 Ni2 -","- C28 H32 Cl4 N8 Ni2 -","- C56 H64 Cl8 N16 Ni4 -","2","0.25","","Sakaguchi, Yuto; Call, Arnau; Cibian, Mihaela; Yamauchi, Kosei; Sakai, Ken","An earth-abundant system for light-driven CO<sub>2</sub> reduction to CO using a pyridinophane iron catalyst.","Chemical communications (Cambridge, England)","2019","55","59","8552","8555","10.1039/c9cc04191e","","x-ray","0.71073","MoKα","","0.0777","0.0565","","","0.1521","0.1644","","","","","","1.04","","","","has coordinates","237840","2020-10-21","18:00:00",""
"7125385","11.9568","0.0007","12.3682","0.0008","14.6936","0.001","109.732","0.006","92.669","0.005","92.147","0.005","2039.9","0.2","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H31 Cl3 N2 O4 S -","- C53 H31 Cl3 N2 O4 S -","- C106 H62 Cl6 N4 O8 S2 -","2","1","","Hong, Seong-Jin; Dutta, Ranjan; Kumar, Ravi; He, Qing; Lynch, Vincent M.; Sessler, Jonathan L.; Lee, Chang-Hee","meso-Alkylidenyl dibenzihexaphyrins: synthesis and protonation studies.","Chemical communications (Cambridge, England)","2019","55","65","9693","9696","10.1039/c9cc04607k","","x-ray","1.54184","CuKα","","0.1232","0.0885","","","0.2358","0.2528","","","","","","1.085","","","","has coordinates","237842","2020-10-21","18:00:00",""
"7125386","20.1536","0.0004","20.1536","0.0004","55.493","0.002","90","","90","","90","","22539.5","1","99.97","0.16","99.97","0.16","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C72.89 H33.78 Cl0 F8.89 N3.56 O10.67 -","- C72.8889 H33.7778 F8.88889 N3.55556 O10.6667 -","- C656 H304 F80 N32 O96 -","9","0.5625","","Hong, Seong-Jin; Dutta, Ranjan; Kumar, Ravi; He, Qing; Lynch, Vincent M.; Sessler, Jonathan L.; Lee, Chang-Hee","meso-Alkylidenyl dibenzihexaphyrins: synthesis and protonation studies.","Chemical communications (Cambridge, England)","2019","55","65","9693","9696","10.1039/c9cc04607k","","x-ray","1.54184","CuKα","","0.1782","0.1311","","","0.3318","0.3889","","","","","","1.18","","","","has coordinates","237842","2020-10-21","18:00:00",""
"7125387","12.9539","0.0016","14.4757","0.0018","14.725","0.0018","70.698","0.003","66.001","0.003","67.022","0.003","2273.4","0.5","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Cl0 F0 N4 O -","- C46 H20 Cl3 F11 N2 O8 -","- C92 H40 Cl6 F22 N4 O16 -","2","1","","Hong, Seong-Jin; Dutta, Ranjan; Kumar, Ravi; He, Qing; Lynch, Vincent M.; Sessler, Jonathan L.; Lee, Chang-Hee","meso-Alkylidenyl dibenzihexaphyrins: synthesis and protonation studies.","Chemical communications (Cambridge, England)","2019","55","65","9693","9696","10.1039/c9cc04607k","","","0.71073","MoKα","","0.0531","0.0478","","","0.1351","0.1395","","","","","","1.058","","","","has coordinates,has disorder","237842","2020-10-21","18:00:00",""
"7125388","19.5016","0.0003","35.2797","0.0007","23.3317","0.0006","90","","90.269","0.002","90","","16052.3","0.6","99.95","0.18","99.95","0.18","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C168 H72 Cl12 F20 N8 O16 -","- C168 H72 Cl12 F20 N8 O16 -","- C672 H288 Cl48 F80 N32 O64 -","4","1","","Hong, Seong-Jin; Dutta, Ranjan; Kumar, Ravi; He, Qing; Lynch, Vincent M.; Sessler, Jonathan L.; Lee, Chang-Hee","meso-Alkylidenyl dibenzihexaphyrins: synthesis and protonation studies.","Chemical communications (Cambridge, England)","2019","55","65","9693","9696","10.1039/c9cc04607k","","x-ray","1.54184","CuKα","","0.177","0.0943","","","0.245","0.3053","","","","","","1.008","","","","has coordinates,has disorder","237842","2020-10-21","18:00:00",""
"7125389","11.4575","0.0001","10.6962","0.0001","27.0458","0.0002","90","","90","","90","","3314.51","0.05","170.01","0.1","170.01","0.1","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C36 H28 N4 O2 -","- C36 H28 N4 O2 -","- C144 H112 N16 O8 -","4","0.5","","Wang, Yin-Feng; Lu, Hai-Yan; Shen, Yi-Fan; Li, Meng; Chen, Chuan-Feng","Novel oxacalix[2]arene[2]triazines with thermally activated delayed fluorescence and aggregation-induced emission properties.","Chemical communications (Cambridge, England)","2019","55","64","9559","9562","10.1039/c9cc04995a","","x-ray","1.54184","CuKα","","0.0431","0.0404","","","0.1154","0.1217","","","","","","1.053","","","","has coordinates","301860","2025-08-22","09:26:38",""
"7125390","9.64598","0.00005","27.23322","0.00015","18.74004","0.0001","90","","101.926","0.0005","90","","4816.59","0.05","170","0.1","170","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44 N8 O4 -","- C60 H44 N8 O4 -","- C240 H176 N32 O16 -","4","1","","Wang, Yin-Feng; Lu, Hai-Yan; Shen, Yi-Fan; Li, Meng; Chen, Chuan-Feng","Novel oxacalix[2]arene[2]triazines with thermally activated delayed fluorescence and aggregation-induced emission properties.","Chemical communications (Cambridge, England)","2019","55","64","9559","9562","10.1039/c9cc04995a","","x-ray","1.54184","CuKα","","0.051","0.0466","","","0.1306","0.1355","","","","","","1.054","","","","has coordinates","301860","2025-08-22","09:26:38",""
"7125391","14.9786","0.0004","9.059","0.0002","57.2212","0.0011","90","","94.208","0.002","90","","7743.5","0.3","169.99","0.1","169.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H48 N8 O4 -","- C80 H48 N8 O4 -","- C320 H192 N32 O16 -","4","1","","Wang, Yin-Feng; Lu, Hai-Yan; Shen, Yi-Fan; Li, Meng; Chen, Chuan-Feng","Novel oxacalix[2]arene[2]triazines with thermally activated delayed fluorescence and aggregation-induced emission properties.","Chemical communications (Cambridge, England)","2019","55","64","9559","9562","10.1039/c9cc04995a","","x-ray","1.54178","CuKα","","0.0968","0.0832","","","0.2327","0.2421","","","","","","1.089","","","","has coordinates","301860","2025-08-22","09:26:38",""
"7125392","19.6993","0.0003","13.7805","0.0002","17.3821","0.0003","90","","92.071","0.002","90","","4715.57","0.13","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H32 N8 O6 -","- C54 H32 N8 O6 -","- C216 H128 N32 O24 -","4","1","","Wang, Yin-Feng; Lu, Hai-Yan; Shen, Yi-Fan; Li, Meng; Chen, Chuan-Feng","Novel oxacalix[2]arene[2]triazines with thermally activated delayed fluorescence and aggregation-induced emission properties.","Chemical communications (Cambridge, England)","2019","55","64","9559","9562","10.1039/c9cc04995a","","","1.54178","CuKα","","0.0821","0.0644","","","0.1927","0.2088","","","","","","1.069","","","","has coordinates","301860","2025-08-22","09:26:38",""
"7125393","11.433","0.0016","14.879","0.002","25.862","0.004","88.484","0.003","84.89","0.003","77.817","0.003","4283.1","1.1","175","2","175","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H108 Cl16 Cu0 Fe15 N14 O34 -","- C84 H108 Cl16 Fe15 N14 O34 -","- C84 H108 Cl16 Fe15 N14 O34 -","1","0.5","","Lin, Li-Dan; Li, Zhong; Zhao, Dan; Liu, Jin-Hua; Li, Xin-Xiong; Zheng, Shou-Tian","Development of a new Lindqvist-like Fe6 cluster secondary building unit for MOFs.","Chemical communications (Cambridge, England)","2019","55","72","10729","10732","10.1039/c9cc04999a","","","0.71073","MoKα","","0.0985","0.0756","","","0.2282","0.2422","","","","","","1","","","","has coordinates","237846","2020-10-21","18:00:00",""
"7125394","11.4027","0.0018","54.461","0.008","18.009","0.003","90","","112.514","0.008","90","","10331","3","175","2","175","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 Cl6 Cu Fe7 I N6 O17 -","- C40 H48 Cl6 Cu Fe7 I N6 O17 -","- C160 H192 Cl24 Cu4 Fe28 I4 N24 O68 -","4","1","","Lin, Li-Dan; Li, Zhong; Zhao, Dan; Liu, Jin-Hua; Li, Xin-Xiong; Zheng, Shou-Tian","Development of a new Lindqvist-like Fe6 cluster secondary building unit for MOFs.","Chemical communications (Cambridge, England)","2019","55","72","10729","10732","10.1039/c9cc04999a","","","0.71073","MoKα","","0.1313","0.0964","","","0.249","0.2619","","","","","","1.009","","","","has coordinates","237846","2020-10-21","18:00:00",""
"7125395","22.375","0.002","23.965","0.002","27.502","0.003","90","","90","","90","","14747","2","175","2","175","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C320 H384 Cl48 Cu0 Fe56 N48 O120 -","- C320 H384 Cl48 Fe56 N48 O120 -","- C320 H384 Cl48 Fe56 N48 O120 -","1","0.0625","","Lin, Li-Dan; Li, Zhong; Zhao, Dan; Liu, Jin-Hua; Li, Xin-Xiong; Zheng, Shou-Tian","Development of a new Lindqvist-like Fe6 cluster secondary building unit for MOFs.","Chemical communications (Cambridge, England)","2019","55","72","10729","10732","10.1039/c9cc04999a","","","0.71073","MoKα","","0.0423","0.0375","","","0.109","0.1114","","","","","","1.004","","","","has coordinates","237846","2020-10-21","18:00:00",""
"7125396","10.3308","0.0002","11.4554","0.0003","23.6689","0.0006","90","","90","","90","","2801.06","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N7 Ni O5 S2 -","- C25 H21 N7 Ni O5 S2 -","- C100 H84 N28 Ni4 O20 S8 -","4","1","","Dey, Mamon; Mudoi, Prashurya Pritam; Choudhury, Anup; Sarma, Bipul; Gogoi, Nayanmoni","Deciphering the influence of structural distortions on the uniaxial magnetic anisotropy of pentagonal bipyramidal Ni(ii) complexes.","Chemical communications (Cambridge, England)","2019","55","77","11547","11550","10.1039/c9cc05032a","","","0.71073","MoKα","","0.0601","0.0486","","","0.1182","0.1348","","","","","","1.058","","","","has coordinates","237849","2020-10-21","18:00:00",""
"7125397","8.758","0.004","11.248","0.005","12.524","0.006","65.786","0.006","84.967","0.007","71.813","0.006","1067.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 N9 Ni O4 S2 -","- C13 H15 N9 Ni O4 S2 -","- C26 H30 N18 Ni2 O8 S4 -","2","1","","Dey, Mamon; Mudoi, Prashurya Pritam; Choudhury, Anup; Sarma, Bipul; Gogoi, Nayanmoni","Deciphering the influence of structural distortions on the uniaxial magnetic anisotropy of pentagonal bipyramidal Ni(ii) complexes.","Chemical communications (Cambridge, England)","2019","55","77","11547","11550","10.1039/c9cc05032a","","","0.71073","MoKα","","0.088","0.0606","","","0.1493","0.1635","","","","","","1.05","","","","has coordinates","237849","2020-10-21","18:00:00",""
"7125398","32.1592","0.0012","32.1592","0.0012","10.0314","0.0004","90","","90","","90","","10374.6","0.7","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C17 H23 N11 Ni O2 -","- C17 H23 N11 Ni O2 -","- C272 H368 N176 Ni16 O32 -","16","1","","Dey, Mamon; Mudoi, Prashurya Pritam; Choudhury, Anup; Sarma, Bipul; Gogoi, Nayanmoni","Deciphering the influence of structural distortions on the uniaxial magnetic anisotropy of pentagonal bipyramidal Ni(ii) complexes.","Chemical communications (Cambridge, England)","2019","55","77","11547","11550","10.1039/c9cc05032a","","","0.71073","MoKα","","0.1076","0.0641","","","0.1895","0.2088","","","","","","1.026","","","","has coordinates","301860","2025-08-22","09:26:38",""
"7125399","32.1098","0.0004","13.472","0.0002","5.7153","0.0001","90","","90","","90","","2472.34","0.06","100","2","100","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C24 H28 N4 O S3 -","- C24 H28 N4 O S3 -","- C96 H112 N16 O4 S12 -","4","0.5","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Liu, Xiao-Wei; Li, Mian; Zheng, Ji; Ng, Seik Weng; Li, Dan","A luminescent edge-interlocked prismatic heteroleptic metallocage assembled through a ligand replacement reaction.","Chemical communications (Cambridge, England)","2019","55","80","11992","11995","10.1039/c9cc05236d","","","1.54184","CuKα","","0.0352","0.0345","","","0.0933","0.0937","","","","","","1.092","","","","has coordinates,has disorder","237852","2020-10-21","18:00:00",""
"7125400","33.788","0.0002","23.8727","0.0001","44.3077","0.0002","90","","90","","90","","35739.1","0.3","100","2","100","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C58.667 H61.333 Cu6 N12 O0.167 S3 -","- C58.6667 H61.3333 Cu6 N12 O0.166667 S3 -","- C1408 H1472 Cu144 N288 O4 S72 -","24","1.5","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Liu, Xiao-Wei; Li, Mian; Zheng, Ji; Ng, Seik Weng; Li, Dan","A luminescent edge-interlocked prismatic heteroleptic metallocage assembled through a ligand replacement reaction.","Chemical communications (Cambridge, England)","2019","55","80","11992","11995","10.1039/c9cc05236d","","","1.54184","CuKα","","0.0806","0.0703","","","0.1881","0.2023","","","","","","1.018","","","","has coordinates,has disorder","237852","2020-10-21","18:00:00",""
"7125401","33.7716","0.0002","71.5841","0.0003","44.3018","0.0002","90","","90","","90","","107100","0.9","100","2","100","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C58.667 H61.333 Cu6 N12 O0.167 S3 -","- C58 H60 Cu6 N12 S3 -","- C4176 H4320 Cu432 N864 S216 -","72","4.5","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Liu, Xiao-Wei; Li, Mian; Zheng, Ji; Ng, Seik Weng; Li, Dan","A luminescent edge-interlocked prismatic heteroleptic metallocage assembled through a ligand replacement reaction.","Chemical communications (Cambridge, England)","2019","55","80","11992","11995","10.1039/c9cc05236d","","","1.54184","CuKα","","0.2064","0.15","","","0.4155","0.4645","","","","","","3.001","","","","has coordinates,has disorder","237852","2020-10-21","18:00:00",""
"7125402","22.724","0.008","22.724","0.008","16.435","0.007","90","","90","","90","","8487","6","100","2","100","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C128 H156 Cl12 N24 Ni6 O24 Si8 -","- C128 H120 Cl12 N24 Ni6 O18 Si8 -","- C256 H240 Cl24 N48 Ni12 O36 Si16 -","2","0.25","","Kumar, Kilaparthi Sravan; Mane, Vishwanath S.; Yadav, Ashok; Kumbhar, Avinash S.; Boomishankar, Ramamoorthy","Photochemical hydrogen evolution from water by a 1D-network of octahedral Ni<sub>6</sub>L<sub>8</sub> cages.","Chemical communications (Cambridge, England)","2019","55","87","13156","13159","10.1039/c9cc06286f","","","0.71073","MoKα","","0.1745","0.088","","","0.2341","0.2959","","","","","","1.033","","","","has coordinates,has disorder","237855","2020-10-21","18:00:00",""
"7125403","11.6694","0.0003","10.1505","0.0003","17.4217","0.0005","90","","96.448","0.003","90","","2050.55","0.1","110.15","0.1","110.15","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,2-oxaphosphinine 2-oxide","rel-(R,R,R)-2-ethoxy-3-(4-bromophenyl)-4,6-diphenyl-3,4-dihydro-1,2-oxaphosphinine 2-oxide","","- C24 H22 Br O3 P -","- C24 H22 Br O3 P -","- C96 H88 Br4 O12 P4 -","4","1","","Fu, Zhicheng; Sun, Simin; Yang, Anjian; Sun, Fang; Xu, Jiaxi","Transition metal-free access to 3,4-dihydro-1,2-oxaphosphinine-2-oxides from phosphonochloridates and chalcones through tandem Michael addition and nucleophilic substitution.","Chemical communications (Cambridge, England)","2019","55","87","13124","13127","10.1039/c9cc06352h","","x-ray","0.71073","MoKα","","0.0448","0.0343","","","0.068","0.0723","","","","","","1.032","","","","has coordinates","301860","2025-08-22","09:26:38",""
"7125404","17.8304","0.0014","17.8304","0.0014","36.593","0.017","90","","90","","120","","10075","5","108.05","0.1","108.05","0.1","","","","","","","","5","R -3 :H","-R 3","148","1,2-oxaphosphinine 2-oxide","rel-(2R,3S,4R)-2-ethoxy-4,6-diphenyl-3-(4-(trifluoromethyl)phenyl)-3,4-dihydro-1,2-oxaphosphinine 2-oxide","","- C25 H22 F3 O3 P -","- C25 H22 F3 O3 P -","- C450 H396 F54 O54 P18 -","18","1","","Fu, Zhicheng; Sun, Simin; Yang, Anjian; Sun, Fang; Xu, Jiaxi","Transition metal-free access to 3,4-dihydro-1,2-oxaphosphinine-2-oxides from phosphonochloridates and chalcones through tandem Michael addition and nucleophilic substitution.","Chemical communications (Cambridge, England)","2019","55","87","13124","13127","10.1039/c9cc06352h","","x-ray","0.71073","MoKα","","0.0702","0.0494","","","0.0996","0.1102","","","","","","1.03","","","","has coordinates,has disorder","301860","2025-08-22","09:26:38",""
"7125405","9.3032","0.0004","11.5641","0.0004","12.6329","0.0006","111.392","0.004","106.122","0.004","101.324","0.003","1146.41","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H27 Cl2 N2 O4 P Pt -","- C19 H27 Cl2 N2 O4 P Pt -","- C38 H54 Cl4 N4 O8 P2 Pt2 -","2","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.7107","MoKα","","0.0341","0.0287","","","0.0552","0.0579","","","","","","1.018","","","","has coordinates,has disorder","237859","2020-10-21","18:00:00",""
"7125406","9.6106","0.0012","20.423","0.003","10.6731","0.0013","90","","96.686","0.002","90","","2080.6","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl3 N2 O3 P Pt -","- C16 H18 Cl3 N2 O3 P Pt -","- C64 H72 Cl12 N8 O12 P4 Pt4 -","4","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.71073","MoKα","","0.0384","0.0274","","","0.0748","0.0877","","","","","","1.096","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125407","9.22386","0.00014","13.26158","0.00018","18.9212","0.0003","90","","102.596","0.0015","90","","2258.79","0.06","293","2","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Cl2 N2 O4 P Pt -","- C18 H25 Cl2 N2 O4 P Pt -","- C72 H100 Cl8 N8 O16 P4 Pt4 -","4","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.71073","MoKα","","0.1241","0.1175","","","0.2747","0.2803","","","","","","1.0348","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125408","8.366","0.003","11.425","0.004","14.15","0.005","95.168","0.006","106.359","0.006","106.779","0.006","1220.7","0.8","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H23 Cl4 N2 O3 P Pt -","- C18 H23 Cl4 N2 O3 P Pt -","- C36 H46 Cl8 N4 O6 P2 Pt2 -","2","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.71073","MoKα","","0.1098","0.1012","","","0.2943","0.3041","","","","","","1.313","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125409","8.7652","0.0003","14.5838","0.0006","19.6786","0.001","90","","116.45","0.002","90","","2252.2","0.17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Cl3 N2 O3 P Pt -","- C17 H22 Cl3 N2 O3 P Pt -","- C68 H88 Cl12 N8 O12 P4 Pt4 -","4","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.7107","MoKα","","0.1147","0.0898","","","0.2661","0.3076","","","","","","1.139","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125410","8.5496","0.001","11.5478","0.0014","12.5966","0.0015","83.444","0.002","85.19","0.002","71.014","0.002","1166.9","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H26 Cl3 N2 O4 P Pt -","- C19 H26 Cl3 N2 O4 P Pt -","- C38 H52 Cl6 N4 O8 P2 Pt2 -","2","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.71073","MoKα","","0.0282","0.026","","","0.071","0.0724","","","","","","1.08","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125411","12.064","0.002","16.098","0.003","22.941","0.004","90","","90","","90","","4455.3","1.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H22 Cl3 N2 O4 P Pt -","- C17 H22 Cl3 N2 O4 P Pt -","- C136 H176 Cl24 N16 O32 P8 Pt8 -","8","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.71073","MoKα","","0.0394","0.0249","","","0.0503","0.0553","","","","","","1.048","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125412","8.141","0.0012","17.253","0.003","16.187","0.003","90","","104.267","0.002","90","","2203.5","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl4 N2 O3 P Pt -","- C16 H19 Cl4 N2 O3 P Pt -","- C64 H76 Cl16 N8 O12 P4 Pt4 -","4","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.71073","MoKα","","0.0387","0.0242","","","0.0495","0.0549","","","","","","1.016","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125413","10.0411","0.0005","14.3523","0.0008","29.091","0.002","90","","90","","90","","4192.4","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H23 Cl2 N2 O4 P Pt -","- C17 H23 Cl2 N2 O4 P Pt -","- C136 H184 Cl16 N16 O32 P8 Pt8 -","8","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.7107","MoKα","","0.0922","0.0787","","","0.182","0.1969","","","","","","1.049","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125414","14.5333","0.000016","14.5333","0.000016","7.83602","0.000013","90","","90","","90","","1655.1","0.004","150","","150","","","","","","","","synthesized","4","P 42/n :2","-P 4bc","86","","","","- C33 H44 N8 O4 -","- C33 H44 N8 O4 -","- C66 H88 N16 O8 -","2","0.25","","Cullen, Duncan A.; Gardiner, Michael G.; White, Nicholas G.","A three dimensional hydrogen bonded organic framework assembled through antielectrostatic hydrogen bonds.","Chemical communications (Cambridge, England)","2019","55","80","12020","12023","10.1039/c9cc06707h","","","1.54184","CuKα","","0.0511","0.0499","","0.1348","0.1326","0.1348","","","","","","1.0161","","","","has coordinates","301860","2025-08-22","09:26:38",""
"7125415","13.38177","0.00008","13.38177","0.00008","21.7501","0.00018","90","","90","","90","","3894.83","0.05","150","0.1","150","","","","","","","","","4","P 42/n b c :2","-P 4ac 2b","133","","","","- C33 H36 N8 O15 -","- C33 H36 N8 O15 -","- C132 H144 N32 O60 -","4","0.25","","Cullen, Duncan A.; Gardiner, Michael G.; White, Nicholas G.","A three dimensional hydrogen bonded organic framework assembled through antielectrostatic hydrogen bonds.","Chemical communications (Cambridge, England)","2019","55","80","12020","12023","10.1039/c9cc06707h","","x-ray","1.54184","CuKα","","0.0845","0.081","","","0.2398","0.2466","","","","","","1.079","","","","has coordinates,has disorder","237861","2020-10-21","18:00:00",""
"7125416","27.9512","0.0008","32.0897","0.0008","25.2538","0.0006","90","","90","","90","","22651.3","1","101","2","101","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C78 H42 N4 O16 Zn3 -","- C78 H42 N4 O16 Zn3 -","- C624 H336 N32 O128 Zn24 -","8","1","","Cao, Li-Hui; Liu, Xin; Tang, Xiao-Han; Liu, Junyi; Xu, Xiao-Qian; Zang, Shuang-Quan; Ma, Yang-Min","A fivefold linker length reduction in an interpenetrated metal-organic framework via sequential solvent-assisted linker exchange.","Chemical communications (Cambridge, England)","2019","55","84","12671","12674","10.1039/c9cc06739f","","","0.71076","MoKα","","0.1192","0.0567","","","0.1376","0.15","","","","","","1.011","","","","has coordinates","237863","2020-10-21","18:00:00",""
"7125417","31.8382","0.0004","28.3102","0.0003","19.3354","0.0003","90","","90","","90","","17427.9","0.4","200","0.1","200","0.1","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C66 H40 N2 O12 Zn3 -","- C66 H40 N2 O12 Zn3 -","- C528 H320 N16 O96 Zn24 -","8","1","","Cao, Li-Hui; Liu, Xin; Tang, Xiao-Han; Liu, Junyi; Xu, Xiao-Qian; Zang, Shuang-Quan; Ma, Yang-Min","A fivefold linker length reduction in an interpenetrated metal-organic framework via sequential solvent-assisted linker exchange.","Chemical communications (Cambridge, England)","2019","55","84","12671","12674","10.1039/c9cc06739f","","x-ray","1.54184","CuKα","","0.139","0.1247","","","0.45","0.47","","","","","","1.037","","","","has coordinates","237863","2020-10-21","18:00:00",""
"7125418","9.9221","0.0005","9.9221","0.0005","16.2619","0.0008","90","","90","","90","","1600.95","0.14","153","","153","","","","","","","","","4","P 4","P 4","75","","","","- C30 H38 B10 N2 -","- C30 H38 B10 N2 -","- C60 H76 B20 N4 -","2","0.5","","Liu, Ke; Zhang, Jing; Xu, Ling; Liu, Jing; Ding, Liping; Liu, Taihong; Fang, Yu","Film-based fluorescence sensing: a ""chemical nose"" for nicotine.","Chemical communications (Cambridge, England)","2019","55","84","12679","12682","10.1039/c9cc06771j","","","1.54178","CuKα","","0.0668","0.0667","","","0.2079","0.208","","","","","","1.143","","","","has coordinates","237865","2020-10-21","18:00:00",""
"7125419","13.5625","0.0006","14.0717","0.0006","27.7111","0.0011","100.471","0.001","99.975","0.001","95.016","0.001","5083.2","0.4","153","","153.01","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H28 B10 -","- C6.5 H7 B2.5 -","- C52 H56 B20 -","8","4","","Liu, Ke; Zhang, Jing; Xu, Ling; Liu, Jing; Ding, Liping; Liu, Taihong; Fang, Yu","Film-based fluorescence sensing: a ""chemical nose"" for nicotine.","Chemical communications (Cambridge, England)","2019","55","84","12679","12682","10.1039/c9cc06771j","","","1.54178","CuKα","","0.0426","0.0412","","","0.1029","0.1041","","","","","","1.04","","","","has coordinates","237865","2020-10-21","18:00:00",""
"7125420","20.3497","0.0007","11.0447","0.0003","28.6138","0.0009","90","","110.692","0.002","90","","6016.3","0.3","170","2","170.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 B10 O2 -","- C26 H28 B10 O2 -","- C208 H224 B80 O16 -","8","2","","Liu, Ke; Zhang, Jing; Xu, Ling; Liu, Jing; Ding, Liping; Liu, Taihong; Fang, Yu","Film-based fluorescence sensing: a ""chemical nose"" for nicotine.","Chemical communications (Cambridge, England)","2019","55","84","12679","12682","10.1039/c9cc06771j","","","1.34139","GaKα","","0.29","0.2351","","","0.5474","0.5766","","","","","","2.211","","","","has coordinates","298703","2025-04-03","05:34:19",""
"7125421","11.4542","0.0004","14.4867","0.0005","17.2981","0.0006","90","","94.005","0.001","90","","2863.33","0.17","153","","152.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 B10 O2 -","- C28 H32 B10 O2 -","- C112 H128 B40 O8 -","4","1","","Liu, Ke; Zhang, Jing; Xu, Ling; Liu, Jing; Ding, Liping; Liu, Taihong; Fang, Yu","Film-based fluorescence sensing: a ""chemical nose"" for nicotine.","Chemical communications (Cambridge, England)","2019","55","84","12679","12682","10.1039/c9cc06771j","","","1.54178","CuKα","","0.0431","0.0407","","","0.1054","0.1077","","","","","","1.0536","","","","has coordinates","237865","2020-10-21","18:00:00",""
"7125422","10.7797","0.0002","8.0018","0.0002","25.0126","0.0006","90","","94.381","0.001","90","","2151.21","0.08","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 I N2 O2 -","- C24 H23 I N2 O2 -","- C96 H92 I4 N8 O8 -","4","1","","Leduskrasts, Kaspars; Kinens, Artis; Suna, Edgars","Cation-π interactions secure aggregation induced emission of planar organic luminophores.","Chemical communications (Cambridge, England)","2019","55","84","12663","12666","10.1039/c9cc06829e","","","0.71073","MoKα","","0.0732","0.0393","","","0.0725","0.0827","","","","","","1.018","","","","has coordinates","301860","2025-08-22","09:26:38",""
"7125423","11.7674","0.001","5.8992","0.0005","17.3999","0.0015","90","","96.609","0.008","90","","1199.84","0.18","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl N O4 -","- C12 H12 Cl N O4 -","- C48 H48 Cl4 N4 O16 -","4","1","","Leduskrasts, Kaspars; Kinens, Artis; Suna, Edgars","Cation-π interactions secure aggregation induced emission of planar organic luminophores.","Chemical communications (Cambridge, England)","2019","55","84","12663","12666","10.1039/c9cc06829e","","","1.54184","CuKα","","0.1092","0.0967","","","0.2119","0.2219","","","","","","1.0188","","","","has coordinates","301860","2025-08-22","09:26:38",""
"7125424","16.3679","0.00012","7.39194","0.00005","19.97192","0.00013","90","","104.187","0.0007","90","","2342.72","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl N3 O4 -","- C26 H22 Cl N3 O4 -","- C104 H88 Cl4 N12 O16 -","4","1","","Leduskrasts, Kaspars; Kinens, Artis; Suna, Edgars","Cation-π interactions secure aggregation induced emission of planar organic luminophores.","Chemical communications (Cambridge, England)","2019","55","84","12663","12666","10.1039/c9cc06829e","","x-ray","1.54184","CuKα","","0.0667","0.0649","","","0.224","0.2271","","","","","","1.0415","","","","has coordinates","301860","2025-08-22","09:26:38",""
"7125733","15.086","0.011","21.938","0.016","10.094","0.008","90","","93.185","0.01","90","","3336","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 F2 N -","- C22 H15 F2 N -","- C176 H120 F16 N8 -","8","2","","Zhao, Huaxin; Ma, Guobin; Xie, Xiaojuan; Wang, Yong; Hao, Jian; Wan, Wen","Pd(ii)-Catalyzed decarboxylative meta-C-H difluoromethylation.","Chemical communications (Cambridge, England)","2019","55","27","3927","3930","10.1039/c9cc00984a","","","0.71073","MoKα","","0.1093","0.0652","","","0.1835","0.2228","","","","","","1.052","","","","has coordinates","301860","2025-08-22","09:26:39",""
"7125734","7.552","0.005","6.143","0.004","31.83","0.02","90","","94.706","0.008","90","","1471.7","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F2 N2 O -","- C18 H14 F2 N2 O -","- C72 H56 F8 N8 O4 -","4","1","","Zhao, Huaxin; Ma, Guobin; Xie, Xiaojuan; Wang, Yong; Hao, Jian; Wan, Wen","Pd(ii)-Catalyzed decarboxylative meta-C-H difluoromethylation.","Chemical communications (Cambridge, England)","2019","55","27","3927","3930","10.1039/c9cc00984a","","","0.71073","MoKα","","0.0406","0.033","","","0.0832","0.0889","","","","","","1.044","","","","has coordinates","301860","2025-08-22","09:26:39",""
"7125735","7.6379","0.0008","13.856","0.0015","15.3484","0.0016","84.804","0.004","85.101","0.004","74.968","0.003","1559.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 N3 O2 S -","- C17 H15 N3 O2 S -","- C68 H60 N12 O8 S4 -","4","2","","Chen, Wenqiang; Fu, Li; Chen, Chunfei; Xiao, Junan; Li, Wenxiu; Zhang, Liangliang; Xiao, Qi; Huang, Chusheng; Sheng, Jiarong; Song, Xiangzhi","Unexpected reaction patterns enable simultaneous differentiation of H<sub>2</sub>S, H<sub>2</sub>S<sub>n</sub> and biothiols.","Chemical communications (Cambridge, England)","2019","55","56","8130","8133","10.1039/c9cc03054a","","","0.71076","MoKα","","0.2052","0.0724","","","0.1305","0.1657","","","","","","1.006","","","","has coordinates","298703","2025-04-03","05:34:20",""
"7125736","23.5105","0.0004","23.5105","0.0004","40.205","0.003","90","","90","","90","","22223.1","1.7","99.99","0.16","99.99","0.16","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","3D-T4-SnOS","","- C48 H133 N9 O23 S32 Sn20 -","- O10 S32 Sn20 -","- O80 S256 Sn160 -","8","0.25","","Huang, Shan-Lin; He, Liang; Chen, Er-Xia; Lai, Heng-Dong; Zhang, Jian; Lin, Qipu","A wide pH-range stable crystalline framework based on the largest tin-oxysulfide cluster [Sn<sub>20</sub>O<sub>10</sub>S<sub>34</sub>].","Chemical communications (Cambridge, England)","2019","55","74","11083","11086","10.1039/c9cc05736f","","","1.54178","CuKα","","0.0539","0.041","","","0.1077","0.1173","","","","","","1.012","","","","has coordinates","246589","2020-10-21","18:00:00",""
"7125737","50.346","0.015","16.533","0.005","29.033","0.008","90","","112.241","0.009","90","","22368","11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C112 H104 N4 S4 -","- C112 H104 N4 S4 -","- C896 H832 N32 S32 -","8","1","","Ambhore, Madan D.; Basavarajappa, Ashokkumar; Anand, Venkataramanarao G.","A wide-range of redox states of core-modified expanded porphyrinoids.","Chemical communications (Cambridge, England)","2019","55","47","6763","6766","10.1039/c9cc02326g","","","0.71073","MoKα","","0.1091","0.0692","","","0.1853","0.2017","","","","","","1.105","","","","has coordinates","246590","2020-10-21","18:00:00",""
"7125738","10.1189","0.001","20.238","0.002","22.11","0.003","64.047","0.003","88.647","0.003","82.635","0.003","4034.9","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H59 B20 I18 K N5 O7.5 -","- C18 H58.9992 B20 I18 K N5 O7.5 -","- C36 H117.998 B40 I36 K2 N10 O15 -","2","1","","El Anwar, Suzan; Assaf, Khaleel I.; Begaj, Barbara; Samsonov, Maksim A.; RůŽičková, Zdeňka; Holub, Josef; Bavol, Dmytro; Nau, Werner M.; Gabel, Detlef; Grűner, Bohumír","Versatile, one-pot introduction of nonahalogenated 2-ammonio-decaborate ions as boron cluster scaffolds into organic molecules; host-guest complexation with γ-cyclodextrin.","Chemical communications (Cambridge, England)","2019","55","91","13669","13672","10.1039/c9cc07678f","","","0.71073","MoKα","","0.0607","0.0425","","","0.0973","0.1041","","","","","","1.028","","","","has coordinates,has disorder","246591","2020-10-21","18:00:00",""
"7125739","20.9188","0.0007","11.2773","0.0004","8.3717","0.0003","90","","98.639","0.003","90","","1952.54","0.12","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C88 H92 N4 O20 -","4","1","","Liu, Gengxin; Yu, Sifan; Hu, Wenhao; Qiu, Huang","A gold(i)-catalysed three-component reaction via trapping oxonium ylides with allenamides.","Chemical communications (Cambridge, England)","2019","55","84","12675","12678","10.1039/c9cc06599g","","x-ray","1.54184","CuKα","","0.0472","0.0398","","","0.1031","0.1087","","","","","","1.032","","","","has coordinates","301860","2025-08-22","09:26:39",""
"7125740","13.82","0.0007","11.3092","0.0004","16.8646","0.0008","90","","104.92","0.004","90","","2547","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl N4 -","- C13 H15 Cl N4 -","- C104 H120 Cl8 N32 -","8","2","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0894","0.0575","","","0.1383","0.1759","","","","","","1.093","","","","has coordinates","301860","2025-08-22","09:26:39",""
"7125741","12.1903","0.0007","13.3007","0.0008","8.4206","0.0005","90","","102.568","0.005","90","","1332.6","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N4 O2 -","- C13 H18 N4 O2 -","- C52 H72 N16 O8 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.1087","0.1028","","","0.2527","0.2665","","","","","","1.18","","","","has coordinates","301860","2025-08-22","09:26:39",""
"7125742","5.744","0.0004","14.7496","0.0013","12.563","0.0008","90","","99.892","0.005","90","","1048.54","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 S -","- C11 H10 N4 S -","- C44 H40 N16 S4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","","0.71073","MoKα","","0.0438","0.0344","","","0.088","0.0919","","","","","","1.033","","","","has coordinates","301860","2025-08-22","09:26:39",""
"7125743","10.9377","0.0004","16.6444","0.0007","16.3724","0.0006","90","","92.771","0.003","90","","2977.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 B N4 -","- C38 H37 B N4 -","- C152 H148 B4 N16 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0397","0.0335","","","0.0782","0.0817","","","","","","1.02","","","","has coordinates","301860","2025-08-22","09:26:39",""
"7125744","17.423","0.002","11.8598","0.001","6.6646","0.0005","90","","90","","90","","1377.1","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H16 N4 S -","- C14 H16 N4 S -","- C56 H64 N16 S4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.1375","0.1166","","","0.2577","0.272","","","","","","1.11","","","","has coordinates","301860","2025-08-22","09:26:39",""
"7125745","7.116","0.0005","7.0723","0.0004","14.8576","0.001","77.256","0.005","77.551","0.005","63.341","0.005","645.92","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N4 Se -","- C13 H14 N4 Se -","- C26 H28 N8 Se2 -","2","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0338","0.0293","","","0.0723","0.0753","","","","","","1.038","","","","has coordinates","301860","2025-08-22","09:26:39",""
"7125746","10.2454","0.0012","17.3799","0.0019","14.473","0.002","90","","98.817","0.011","90","","2546.7","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N4 -","- C14 H16 N4 -","- C112 H128 N32 -","8","2","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.079","0.0472","","","0.1079","0.1264","","","","","","1.017","","","","has coordinates","301860","2025-08-22","09:26:39",""
"7125747","23.5797","0.0004","35.6568","0.0009","29.9355","0.0007","90","","90","","90","","25169.1","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H62 Cl2 N8 P2 Ru -","- C64 H62 Cl2 N8 P2 Ru -","- C1024 H992 Cl32 N128 P32 Ru16 -","16","2","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.1465","0.0792","","","0.1568","0.2021","","","","","","1.103","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125748","6.9905","0.0008","7.0369","0.0008","14.519","0.0014","78.264","0.008","78.151","0.008","64.286","0.008","624.46","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N4 S -","- C13 H14 N4 S -","- C26 H28 N8 S2 -","2","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0556","0.0411","","","0.1013","0.107","","","","","","1.067","","","","has coordinates","301860","2025-08-22","09:26:39",""
"7125749","7.8616","0.0006","12.1269","0.0007","11.1928","0.0009","90","","97.003","0.006","90","","1059.13","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 Se -","- C11 H10 N4 Se -","- C44 H40 N16 Se4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","","0.71073","MoKα","","0.0892","0.0712","","","0.1816","0.2056","","","","","","1.064","","","","has coordinates","301860","2025-08-22","09:26:39",""
"7125750","6.4586","0.0005","24.9625","0.0012","17.2461","0.0007","90","","90","","90","","2780.5","0.3","100","2","100","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C14 H17 Cl N4 -","- C14 H16.5 Cl N4 -","- C112 H132 Cl8 N32 -","8","0.5","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0918","0.0512","","","0.1056","0.1231","","","","","","1.058","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125751","6.8554","0.0003","13.1808","0.0009","15.3404","0.0007","90","","96.866","0.003","90","","1376.21","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N4 Se -","- C14 H16 N4 Se -","- C56 H64 N16 Se4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0544","0.0395","","","0.0914","0.1011","","","","","","1.061","","","","has coordinates","301860","2025-08-22","09:26:39",""
"7125752","8.303","0.0006","12.2487","0.0009","13.1031","0.0012","90","","98.019","0.007","90","","1319.57","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N4 Ni -","- C16 H14 N4 Ni -","- C64 H56 N16 Ni4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","","0.71073","MoKα","","0.0531","0.0381","","","0.0994","0.1074","","","","","","1.054","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125753","9.5141","0.0005","22.5212","0.0009","12.1912","0.0007","90","","98.997","0.004","90","","2580.1","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H45 Cl8 N5 P2 Ru -","- C51 H45 Cl8 N5 P2 Ru -","- C102 H90 Cl16 N10 P4 Ru2 -","2","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0644","0.0499","","","0.1162","0.1238","","","","","","1.05","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125754","9.5555","0.0002","24.2364","0.0007","21.3888","0.0006","90","","90","","90","","4953.5","0.2","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H20 N4 Ni -","- C19 H20 N4 Ni -","- C228 H240 N48 Ni12 -","12","1.5","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0473","0.0403","","","0.1147","0.1201","","","","","","1.123","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125755","14.1205","0.0004","15.7166","0.0006","22.8944","0.0006","90","","98.417","0.002","90","","5026.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H53 Cl2 N5 P2 Ru -","- C57 H53 Cl2 N5 P2 Ru -","- C228 H212 Cl8 N20 P8 Ru4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.1139","0.0872","","","0.2217","0.2553","","","","","","1.14","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125756","15.4397","0.0004","13.018","0.0002","15.7193","0.0004","90","","100.06","0.002","90","","3110.91","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 Ni -","- C18 H18 N4 Ni -","- C144 H144 N32 Ni8 -","8","2","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.0379","0.0281","","","0.0604","0.0653","","","","","","1.049","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125757","11.3628","0.0004","21.1456","0.0007","12.1342","0.0005","90","","109.851","0.003","90","","2742.28","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 Cl3 N4 Ni Rh -","- C27 H32 Cl3 N4 Ni Rh -","- C108 H128 Cl12 N16 Ni4 Rh4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.1178","0.0935","","","0.2381","0.2686","","","","","","1.043","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125758","7.1632","0.0007","13.0691","0.0012","13.5288","0.0014","117.501","0.007","95.03","0.008","100.47","0.008","1083.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Cl N4 Ni Rh -","- C24 H26 Cl N4 Ni Rh -","- C48 H52 Cl2 N8 Ni2 Rh2 -","2","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","","0.71073","MoKα","","0.0914","0.0779","","","0.202","0.2236","","","","","","1.021","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125759","8.8137","0.0006","9.8816","0.0007","10.4045","0.0007","116.637","0.005","102.468","0.006","93.764","0.006","777.07","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Br Cu N4 Ni -","- C16 H14 Br Cu N4 Ni -","- C32 H28 Br2 Cu2 N8 Ni2 -","2","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","","0.71073","MoKα","","0.0339","0.0229","","","0.0484","0.0514","","","","","","0.967","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125760","34.3321","0.0004","34.3321","0.0004","10.309","0.0001","90","","90","","90","","12151.1","0.2","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C27 H32 Cl N4 Ni Rh -","- C27 H32 Cl N4 Ni Rh -","- C432 H512 Cl16 N64 Ni16 Rh16 -","16","2","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.0528","0.0375","","","0.083","0.0916","","","","","","1.031","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125761","13.0554","0.0007","13.51","0.0005","23.7059","0.0011","90","","101.001","0.004","90","","4104.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 Cl2 I2 N8 Ni2 Zn -","- C39 H42 Cl2 I2 N8 Ni2 Zn -","- C156 H168 Cl8 I8 N32 Ni8 Zn4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0997","0.0603","","","0.1435","0.1656","","","","","","1.067","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125762","20.5758","0.0007","17.6627","0.0008","11.0017","0.0004","90","","90","","90","","3998.3","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C37 H38 Cl2 I2 N8 Ni2 Zn -","- C37 H38 Cl2 I2 N8 Ni2 Zn -","- C148 H152 Cl8 I8 N32 Ni8 Zn4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.1029","0.0883","","","0.2313","0.2592","","","","","","1.141","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125763","9.5888","0.0012","20.771","0.002","9.4041","0.0012","90","","112.364","0.009","90","","1732.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Br2 Cu2 N8 Ni2 -","- C36 H36 Br2 Cu2 N8 Ni2 -","- C72 H72 Br4 Cu4 N16 Ni4 -","2","0.5","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.1311","0.1025","","","0.2746","0.3287","","","","","","1.091","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125764","17.7226","0.0007","16.5686","0.0005","21.4449","0.0007","90","","90","","90","","6297.1","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H28 I2 N8 Ni2 Zn -","- C32 H28 I2 N8 Ni2 Zn -","- C256 H224 I16 N64 Ni16 Zn8 -","8","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0736","0.0497","","","0.118","0.1328","","","","","","1.135","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125765","9.6279","0.0005","21.6105","0.0013","9.4506","0.0005","90","","112.988","0.004","90","","1810.17","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Br2 Cu2 N8 Ni2 -","- C38 H40 Br2 Cu2 N8 Ni2 -","- C76 H80 Br4 Cu4 N16 Ni4 -","2","0.5","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0737","0.0586","","","0.1508","0.1729","","","","","","1.017","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125766","9.9754","0.0007","14.0802","0.0015","10.6923","0.0009","90","","91.036","0.006","90","","1501.5","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11.333 H10 Cl0.667 N1.333 O0.667 -","- C11.3333 H10 Cl0.666667 N1.33333 O0.666667 -","- C68 H60 Cl4 N8 O4 -","6","1.5","","Liu, Xiaobing; Zhou, Yao; Song, Qiuling","Metal-free cyclization of unsaturated hydrazones for the divergent assembly of pyrazolones and pyrazolines.","Chemical communications (Cambridge, England)","2019","55","61","8943","8946","10.1039/c9cc04039k","","x-ray","0.71073","MoKα","","0.0706","0.0505","","","0.1325","0.1485","","","","","","0.9498","","","","has coordinates","246594","2020-10-21","18:00:00",""
"7125767","5.9361","0.0007","26.091","0.003","10.7999","0.0011","90","","98.444","0.011","90","","1654.5","0.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","","Liu, Xiaobing; Zhou, Yao; Song, Qiuling","Metal-free cyclization of unsaturated hydrazones for the divergent assembly of pyrazolones and pyrazolines.","Chemical communications (Cambridge, England)","2019","55","61","8943","8946","10.1039/c9cc04039k","","x-ray","0.71073","MoKα","","0.0883","0.0591","","","0.1374","0.1542","","","","","","1.0831","","","","has coordinates","301860","2025-08-22","09:26:39",""
"7125768","8.2526","0.0009","9.1103","0.001","21.0646","0.0018","90","","90","","90","","1583.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Cl N2 -","- C18 H19 Cl N2 -","- C72 H76 Cl4 N8 -","4","1","","Liu, Xiaobing; Zhou, Yao; Song, Qiuling","Metal-free cyclization of unsaturated hydrazones for the divergent assembly of pyrazolones and pyrazolines.","Chemical communications (Cambridge, England)","2019","55","61","8943","8946","10.1039/c9cc04039k","","x-ray","0.71073","MoKα","","0.1048","0.0608","","","0.0919","0.1062","","","","","","1.01","","","","has coordinates","301860","2025-08-22","09:26:39",""
"7209385","4.681","","11.055","","7.535","","90","","90","","90","","389.925","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Eu Au In2","","- Au Eu In2 -","- Au Eu In2 -","- Au4 Eu4 In8 -","4","0.25","","Kal'ichak, Ya.M.; Hoffmann, R.D.; Poettgen, R.; Zaremba, V.I.","New indides Eu Au In2, Eu Pd In4, Gd Rh In2, Yb Rh In4, and Yb Pd In4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2000","55","","834","840","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7221319","24.027","","7.346","","21.572","","90","","104.52","","90","","3685.9","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Na4 (Ti Se4)","","- Na4 Se4 Ti -","- Na4 Se4 Ti -","- Na64 Se64 Ti16 -","16","2","","Klepp, K.O.","Preparation and crystal structure of Na4 Ti Se4. A selenotitanate with discrete tetrahedral atoms","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2000","55","","39","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222642","9.163","","9.163","","25.014","","90","","90","","120","","1818.82","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Rb1.13 Ti (Nb6 Cl18)","","- Cl18 Nb6 Rb1.13 Ti -","- Cl18 Nb6 Rb1.128 Ti -","- Cl54 Nb18 Rb3.384 Ti3 -","3","0.166667","","Naegele, A.; Anokhina, E.V.; Sitar, J.; Lachgar, A.; Meyer, H.J.","Synthesis and crystal structures of A Ti (Nb6 Cl18) compounds (A= Cs, Rb, K, In, Tl)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2000","55","","139","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223708","7.6764","","11.543","","13.386","","90","","99.169","","90","","1170.96","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cs (B (C F3)3 N2 (C F3))","","- C4 B Cs F12 N2 -","- C4 B Cs F12 N2 -","- C16 B4 Cs4 F48 N8 -","4","1","","Brauer, D.J.; Pawelke, G.; Buerger, H.; Chebude, Y.","A diazenidoborate: formation and structure of Cs ((C F3)3 B N=N C F3)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2000","55","","269","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7719770","18.116","0.001","13.1312","0.0008","16.5005","0.0011","90","","98.267","0.002","90","","3884.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C160 H142 F24 N28 O13 P8 Ru4 -","- C160 H142 F24 N28 O13 P8 Ru4 -","- C160 H142 F24 N28 O13 P8 Ru4 -","1","0.25","","Teixeira, Ricardo G.; Stenico, Lívia; Fontrodona, Xavier; Romero, Isabel; Starosta, Radosław; Moreno, Maria João; Tomaz, Ana Isabel; Gomes-da-Silva, Lígia C; Valente, Andreia","Lysosome-targeted Ru(II)-cyclopentadienyl organometallic anticancer complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","594","610","10.1039/d5dt01975c","","","0.71076","MoKα","","0.0793","0.0481","","","0.0801","0.091","","","","","","1.077","","","","has coordinates","304914","2026-03-05","12:51:31",""
"7719771","11.8493","0.0015","19.432","0.003","20.703","0.003","78.293","0.004","77.765","0.005","84.304","0.005","4553.9","1.1","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C93.5 H105 F12 N14 O10.5 P4 Ru2 -","- C83 H84 F12 N14 O7 P4 Ru2 -","- C166 H168 F24 N28 O14 P8 Ru4 -","2","1","","Teixeira, Ricardo G.; Stenico, Lívia; Fontrodona, Xavier; Romero, Isabel; Starosta, Radosław; Moreno, Maria João; Tomaz, Ana Isabel; Gomes-da-Silva, Lígia C; Valente, Andreia","Lysosome-targeted Ru(II)-cyclopentadienyl organometallic anticancer complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","594","610","10.1039/d5dt01975c","","","0.71073","MoKα","","0.1359","0.1017","","","0.2391","0.2616","","","","","","1.054","","","","has coordinates","304914","2026-03-05","12:51:31",""
"7719772","11.8831","0.0007","19.9377","0.0011","20.9074","0.0012","70.752","0.002","85.908","0.002","88.956","0.002","4664.5","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H43 Cl4 F6 N7 O5 P2 Ru -","- C42 H43 Cl4 F6 N7 O5 P2 Ru -","- C168 H172 Cl16 F24 N28 O20 P8 Ru4 -","4","2","","Teixeira, Ricardo G.; Stenico, Lívia; Fontrodona, Xavier; Romero, Isabel; Starosta, Radosław; Moreno, Maria João; Tomaz, Ana Isabel; Gomes-da-Silva, Lígia C; Valente, Andreia","Lysosome-targeted Ru(II)-cyclopentadienyl organometallic anticancer complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","594","610","10.1039/d5dt01975c","","","0.71073","MoKα","","0.1013","0.0715","","","0.1599","0.1781","","","","","","1.136","","","","has coordinates,has disorder","304914","2026-03-05","12:51:31",""
"7720015","13.983","0.0005","21.1145","0.0011","8.9586","0.0004","90","","90","","90","","2645","0.2","293","2","293","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C14 H22 Fe Li2 N18 O8 -","- C14 H22 Fe Li2 N18 O8 -","- C56 H88 Fe4 Li8 N72 O32 -","4","0.25","","Zhou, Jing-Yao; Zhang, Hong-Dong; Yin, Fan; Zhu, Zheng-Zhong; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu","Locking the spin states of anionic Fe(L)<sub>2</sub> units in coordination polymers through alkali metal ion incorporation.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4319","4326","10.1039/d6dt00162a","","","1.54184","CuKα","","0.0392","0.0364","","","0.0976","0.0991","","","","","","1.071","","","","has coordinates","305366","2026-04-05","12:04:06",""
"7720016","13.5376","0.0006","8.0985","0.0004","21.7556","0.001","90","","90","","90","","2385.16","0.19","240","0.1","240.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H14 Fe K2 N18 O2 -","- C16 H14 Fe K2 N18 O2 -","- C64 H56 Fe4 K8 N72 O8 -","4","0.5","","Zhou, Jing-Yao; Zhang, Hong-Dong; Yin, Fan; Zhu, Zheng-Zhong; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu","Locking the spin states of anionic Fe(L)<sub>2</sub> units in coordination polymers through alkali metal ion incorporation.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4319","4326","10.1039/d6dt00162a","","","1.3405","GaKα","","0.0741","0.0569","","","0.1205","0.1278","","","","","","1.086","","","","has coordinates","305366","2026-04-05","12:04:06",""
"7720017","13.6942","0.0004","7.7375","0.0002","23.4883","0.0008","90","","90","","90","","2488.79","0.13","100.01","0.1","100.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H18 Fe N18 Na2 O6 -","- C14 H18 Fe N18 Na2 O6 -","- C56 H72 Fe4 N72 Na8 O24 -","4","1","","Zhou, Jing-Yao; Zhang, Hong-Dong; Yin, Fan; Zhu, Zheng-Zhong; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu","Locking the spin states of anionic Fe(L)<sub>2</sub> units in coordination polymers through alkali metal ion incorporation.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4319","4326","10.1039/d6dt00162a","","","0.71073","MoKα","","0.0377","0.0311","","","0.0763","0.0801","","","","","","1.043","","","","has coordinates","305366","2026-04-05","12:04:06",""
"7720018","9.8314","0.0004","13.3665","0.0006","18.6866","0.0009","90","","91.067","0.002","90","","2455.21","0.19","129","2","129","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H31 Cl4 N3 -","- C22 H31 Cl4 N3 -","- C88 H124 Cl16 N12 -","4","1","","Leksina, Uliana M.; Abramov, Vladimir A.; Matveev, Petr I.; Lemport, Pavel S.; Gopin, Alexander V.; Glushkov, Egor D.; Lyssenko, Konstantin A.; Trigub, Alexander L.; Petrov, Vladimir G.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Polysubstituted guanidine-based receptors for the selective extraction of pertechnetate anions from high-level waste.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4457","4471","10.1039/d6dt00057f","","","0.71073","MoKα","","0.0653","0.0503","","","0.1131","0.1228","","","","","","1.026","","","","has coordinates","305382","2026-04-05","12:10:26",""
"7720019","9.268","0.002","15.741","0.004","28.086","0.007","90","","97.41","0.007","90","","4063.2","1.7","104","2","104","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N3 O4 Re -","- C19 H26 N3 O4 Re -","- C152 H208 N24 O32 Re8 -","8","2","","Leksina, Uliana M.; Abramov, Vladimir A.; Matveev, Petr I.; Lemport, Pavel S.; Gopin, Alexander V.; Glushkov, Egor D.; Lyssenko, Konstantin A.; Trigub, Alexander L.; Petrov, Vladimir G.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Polysubstituted guanidine-based receptors for the selective extraction of pertechnetate anions from high-level waste.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4457","4471","10.1039/d6dt00057f","","","0.71073","MoKα","","0.1104","0.0699","","","0.1252","0.1411","","","","","","1.094","","","","has coordinates,has disorder","305382","2026-04-05","12:10:26",""
"7720020","8.0266","0.0015","28.876","0.005","17.378","0.003","90","","93.2","0.005","90","","4021.5","1.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl N3 O4 -","- C19 H26 Cl N3 O4 -","- C152 H208 Cl8 N24 O32 -","8","2","","Leksina, Uliana M.; Abramov, Vladimir A.; Matveev, Petr I.; Lemport, Pavel S.; Gopin, Alexander V.; Glushkov, Egor D.; Lyssenko, Konstantin A.; Trigub, Alexander L.; Petrov, Vladimir G.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Polysubstituted guanidine-based receptors for the selective extraction of pertechnetate anions from high-level waste.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4457","4471","10.1039/d6dt00057f","","","0.71073","MoKα","","0.1499","0.0717","","","0.1492","0.1792","","","","","","1.006","","","","has coordinates,has disorder","305382","2026-04-05","12:10:26",""
"7720021","13.411","0.0016","13.5417","0.0017","16.3201","0.0019","105.781","0.003","105.39","0.003","105.55","0.004","2558.3","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H62 Cl6 N6 O8 Re2 -","- C40 H62 Cl6 N6 O8 Re2 -","- C80 H124 Cl12 N12 O16 Re4 -","2","1","","Leksina, Uliana M.; Abramov, Vladimir A.; Matveev, Petr I.; Lemport, Pavel S.; Gopin, Alexander V.; Glushkov, Egor D.; Lyssenko, Konstantin A.; Trigub, Alexander L.; Petrov, Vladimir G.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Polysubstituted guanidine-based receptors for the selective extraction of pertechnetate anions from high-level waste.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4457","4471","10.1039/d6dt00057f","","","","MoKα","","0.076","0.0613","","","0.1414","0.1481","","","","","","1.089","","","","has coordinates,has disorder","305382","2026-04-05","12:10:26",""
"7720022","19.7255","0.0005","25.5075","0.0006","21.138","0.0007","90","","90","","90","","10635.5","0.5","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C38.22 H53.78 K1.33 N2.67 O16 Ru2.67 Sb0.44 -","- C38.2222 H52 K1.33333 N2.66667 O16 Ru2.66667 Sb0.444444 -","- C344 H468 K12 N24 O144 Ru24 Sb4 -","9","2.25","","Ding, Cheng; Xu, Xian; Qin, Qian; Ding, Jingen; Xu, Li","[Ru<sub>6</sub>(μ<sub>6</sub>-Sb)(CO)<sub>18</sub>]<sup>3-</sup>: deeply reduced metal carbonyl cluster embedded with naked μ<sub>6</sub>-Sb.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4139","4143","10.1039/d6dt00002a","","","0.71073","MoKα","","0.0493","0.0478","","","0.1054","0.1064","","","","","","1.07","","","","has coordinates,has disorder","305353","2026-04-05","12:01:05",""
"7720023","21.8358","0.0001","18.1575","0.0001","31.8458","0.0002","90","","90.552","0.001","90","","12625.8","0.12","164","30","164","30","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H80 N18 Ni13 O97 P2 W18 -","- C34 H81 N18 Ni13 O97 P2 W18 -","- C136 H324 N72 Ni52 O388 P8 W72 -","4","1","","Gao, Shuang; Wang, Zhen-Wen; Yang, Guo-Yu","Synthesis, structures and catalytic properties of two organic-inorganic hybrid polyoxometalates built from {Ni<sub>6</sub>PW<sub>9</sub>} units.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3733","3738","10.1039/d5dt03040d","","x-ray","1.54184","CuKα","","0.0453","0.04","","","0.1109","0.1145","","","","","","1.042","","","","has coordinates","304917","2026-03-05","12:53:35",""
"7720024","13.4167","0.0012","13.7245","0.0018","35.498","0.005","90","","90","","90","","6536.5","1.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 N8 Ni7 O49 P W9 -","- C16 H36 N8 Ni7 O49 P W9 -","- C64 H144 N32 Ni28 O196 P4 W36 -","4","1","","Gao, Shuang; Wang, Zhen-Wen; Yang, Guo-Yu","Synthesis, structures and catalytic properties of two organic-inorganic hybrid polyoxometalates built from {Ni<sub>6</sub>PW<sub>9</sub>} units.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3733","3738","10.1039/d5dt03040d","","x-ray","0.71073","MoKα","","0.1465","0.0665","","","0.1171","0.1497","","","","","","0.982","","","","has coordinates","304917","2026-03-05","12:53:35",""
"7720025","14.3052","0.001","16.0611","0.0013","26.251","0.002","90","","90","","90","","6031.4","0.8","150","2","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C62 H57 Dy2 N7 Ni2 O19 -","- C62 H57 Dy2 N7 Ni2 O19 -","- C248 H228 Dy8 N28 Ni8 O76 -","4","0.5","","Panja, Anangamohan; Jagličić, Zvonko; Aravena, Daniel; Jana, Narayan Ch; Brandão, Paula","Magneto-structural and theoretical insights into Ni<sub>2</sub>Dy<sub>2</sub> butterfly single-molecule magnets with diverse anionic co-ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4495","4508","10.1039/d5dt02843d","","","0.71073","MoKα","","0.0641","0.0468","","","0.098","0.1124","","","","","","1.24","","","","has coordinates,has disorder","305384","2026-04-05","12:10:51",""
"7720026","11.1086","0.0003","12.5027","0.0002","14.5057","0.0003","65.386","0.002","88.71","0.002","80.896","0.002","1806.41","0.07","100","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H80 Dy2 N6 Ni2 O18 -","- C76 H80 Dy2 N6 Ni2 O18 -","- C76 H80 Dy2 N6 Ni2 O18 -","1","0.5","","Panja, Anangamohan; Jagličić, Zvonko; Aravena, Daniel; Jana, Narayan Ch; Brandão, Paula","Magneto-structural and theoretical insights into Ni<sub>2</sub>Dy<sub>2</sub> butterfly single-molecule magnets with diverse anionic co-ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4495","4508","10.1039/d5dt02843d","","","0.71073","MoKα","","0.0447","0.0391","","","0.1018","0.1047","","","","","","1.046","","","","has coordinates","305384","2026-04-05","12:10:51",""
"7720027","24.47","0.005","12.5293","0.0019","22.778","0.005","90","","106.826","0.009","90","","6685","2","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H76 Dy2 N4 Ni2 O25 -","- C64 H76 Dy2 N4 Ni2 O25 -","- C256 H304 Dy8 N16 Ni8 O100 -","4","0.5","","Panja, Anangamohan; Jagličić, Zvonko; Aravena, Daniel; Jana, Narayan Ch; Brandão, Paula","Magneto-structural and theoretical insights into Ni<sub>2</sub>Dy<sub>2</sub> butterfly single-molecule magnets with diverse anionic co-ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4495","4508","10.1039/d5dt02843d","","","0.71073","MoKα","","0.0174","0.0161","","","0.0403","0.0412","","","","","","1.105","","","","has coordinates,has disorder","305384","2026-04-05","12:10:51",""
"7720028","11.0156","0.0003","11.4301","0.0004","14.6227","0.0004","67.037","0.003","76.289","0.002","64.293","0.003","1522.34","0.09","100.01","0.1","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C62 H60 Dy2 N6 Ni2 O16 S2 -","- C62 H60 Dy2 N6 Ni2 O16 S2 -","- C62 H60 Dy2 N6 Ni2 O16 S2 -","1","0.5","","Panja, Anangamohan; Jagličić, Zvonko; Aravena, Daniel; Jana, Narayan Ch; Brandão, Paula","Magneto-structural and theoretical insights into Ni<sub>2</sub>Dy<sub>2</sub> butterfly single-molecule magnets with diverse anionic co-ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4495","4508","10.1039/d5dt02843d","","","0.71073","MoKα","","0.0521","0.035","","","0.0803","0.0882","","","","","","1.082","","","","has coordinates","305384","2026-04-05","12:10:51",""
"7720029","11.1635","0.0003","12.2232","0.0003","13.2329","0.0004","107.887","0.002","106.295","0.002","97.049","0.002","1605.66","0.08","100.02","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H70 Dy2 N4 Ni2 O16 -","- C70 H70 Dy2 N4 Ni2 O16 -","- C70 H70 Dy2 N4 Ni2 O16 -","1","0.5","","Panja, Anangamohan; Jagličić, Zvonko; Aravena, Daniel; Jana, Narayan Ch; Brandão, Paula","Magneto-structural and theoretical insights into Ni<sub>2</sub>Dy<sub>2</sub> butterfly single-molecule magnets with diverse anionic co-ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4495","4508","10.1039/d5dt02843d","","","1.54184","CuKα","","0.0538","0.0478","","","0.1223","0.1266","","","","","","1.046","","","","has coordinates","305384","2026-04-05","12:10:51",""
"7720030","12.835","0.003","14.971","0.003","19.994","0.004","86.749","0.007","73.097","0.007","69.214","0.007","3432","1.3","170","2","170","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C127 H228 Ni10 P8 Si4 -","- C127 H228 Ni10 P8 Si4 -","- C127 H228 Ni10 P8 Si4 -","1","0.5","","Liu, Junyang; Sum, Kethya; Johnson, Samuel A.","Mechanistic insight into cooperative catalysis with pentanuclear nickel clusters: catalytic alkene dimerization and silyl-silylene and silylyne clusters.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3882","3895","10.1039/d5dt02642c","","x-ray","0.71073","MoKα","","0.0691","0.0493","","","0.1129","0.1206","","","","","","1.038","","","","has coordinates,has disorder","304924","2026-03-05","12:56:13",""
"7720031","12.6719","0.0008","13.4829","0.0009","18.3772","0.001","91.85","0.003","101.576","0.002","103.972","0.003","2974.2","0.3","170","2","170","2","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C51 H114 Ni5 P4 -","- C51 H114 Ni5 P4 -","- C102 H228 Ni10 P8 -","2","1","","Liu, Junyang; Sum, Kethya; Johnson, Samuel A.","Mechanistic insight into cooperative catalysis with pentanuclear nickel clusters: catalytic alkene dimerization and silyl-silylene and silylyne clusters.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3882","3895","10.1039/d5dt02642c","","x-ray","0.71073","MoKα","","0.0813","0.0698","","","0.1241","0.1274","","","","","","1.309","","","","has coordinates,has disorder","304924","2026-03-05","12:56:13",""
"7720032","15.7736","0.0012","20.5782","0.0014","18.9188","0.0013","90","","102.478","0.003","90","","5995.8","0.7","170","2","170","2","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H117 Ni5 P5 Si -","- C47 H117 Ni5 P5 Si -","- C188 H468 Ni20 P20 Si4 -","4","1","","Liu, Junyang; Sum, Kethya; Johnson, Samuel A.","Mechanistic insight into cooperative catalysis with pentanuclear nickel clusters: catalytic alkene dimerization and silyl-silylene and silylyne clusters.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3882","3895","10.1039/d5dt02642c","","x-ray","0.71073","MoKα","","0.0538","0.0371","","","0.0823","0.0881","","","","","","1.083","","","","has coordinates","304924","2026-03-05","12:56:13",""
"7720033","9.5567","0.0006","15.4561","0.0011","24.0658","0.0016","90","","90.072","0.002","90","","3554.7","0.4","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(tetraethylammonium) tetrakis(4-methylbenzene-1-thiolato)-cadmium(ii)","","- C35 H51 Cd N5 O2 S2 -","- C35 H51 Cd N5 O2 S2 -","- C140 H204 Cd4 N20 O8 S8 -","4","1","","Sohail, Muhammad; Heinsen, Carsten; Oliver, Allen G.; Tsui, Emily Y.","Sulfur insertion into group 12 metal dithiolate complexes: metal-dependent equilibria.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4119","4127","10.1039/d6dt00074f","","","0.71073","MoKα","","0.091","0.0508","","","0.0876","0.1008","","","","","","1.082","","","","has coordinates,has disorder","305358","2026-04-05","12:01:35",""
"7720034","14.1642","0.0014","18.917","0.002","23.983","0.002","93.388","0.003","102.363","0.003","107.3","0.004","5941","1","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C35.5 H40.67 Cd0.67 N5.33 O3.17 S4 -","- C35.501 H40.6687 Cd0.666667 N5.33333 O3.16667 S4 -","- C213.006 H244.012 Cd4 N32 O19 S24 -","6","3","","Sohail, Muhammad; Heinsen, Carsten; Oliver, Allen G.; Tsui, Emily Y.","Sulfur insertion into group 12 metal dithiolate complexes: metal-dependent equilibria.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4119","4127","10.1039/d6dt00074f","","","0.71073","MoKα","","0.0716","0.0632","","","0.1447","0.1489","","","","","","1.139","","","","has coordinates,has disorder","305358","2026-04-05","12:01:35",""
"7720035","9.5352","0.0006","15.4127","0.0008","24.2083","0.0015","90","","90.247","0.002","90","","3557.7","0.4","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(tetraethylammonium) tetrakis(4-methylbenzene-1-thiolato)-mercury(ii)","","- C35 H51 Hg N5 O2 S2 -","- C35 H51 Hg N5 O2 S2 -","- C140 H204 Hg4 N20 O8 S8 -","4","1","","Sohail, Muhammad; Heinsen, Carsten; Oliver, Allen G.; Tsui, Emily Y.","Sulfur insertion into group 12 metal dithiolate complexes: metal-dependent equilibria.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4119","4127","10.1039/d6dt00074f","","","0.71073","MoKα","","0.0557","0.0319","","","0.0526","0.0588","","","","","","1.023","","","","has coordinates,has disorder","305358","2026-04-05","12:01:35",""
"7720036","16.8332","0.0015","18.2888","0.0017","30.014","0.003","90","","90","","90","","9240.1","1.5","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Et4N]2[3Me-Cd(Stol)]","","- C44 H62.5 Cd N5.5 O2 S3 -","- C44 H62.5 Cd N5.5 O2 S3 -","- C352 H500 Cd8 N44 O16 S24 -","8","1","","Sohail, Muhammad; Heinsen, Carsten; Oliver, Allen G.; Tsui, Emily Y.","Sulfur insertion into group 12 metal dithiolate complexes: metal-dependent equilibria.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4119","4127","10.1039/d6dt00074f","","","0.71073","MoKα","","0.0791","0.0748","","","0.1872","0.1904","","","","","","1.169","","","","has coordinates,has disorder","305358","2026-04-05","12:01:35",""
"7720037","16.8803","0.0008","18.3305","0.0008","29.6825","0.0014","90","","90","","90","","9184.5","0.7","120","2","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Et4N]2[LMeHgStol]","","- C43 H61 Hg N5 O2 S3 -","- C43 H61 Hg N5 O2 S3 -","- C344 H488 Hg8 N40 O16 S24 -","8","1","","Sohail, Muhammad; Heinsen, Carsten; Oliver, Allen G.; Tsui, Emily Y.","Sulfur insertion into group 12 metal dithiolate complexes: metal-dependent equilibria.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4119","4127","10.1039/d6dt00074f","","","0.71073","MoKα","","0.0595","0.0514","","","0.1027","0.1064","","","","","","1.182","","","","has coordinates","305358","2026-04-05","12:01:35",""
"7720038","13.02","0.0014","13.5522","0.0011","26.71","0.002","81.291","0.007","89.485","0.009","89.155","0.009","4658","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H77 Li2 N -","- C54 H77 Li2 N -","- C216 H308 Li8 N4 -","4","2","","Bogachev, Mikhail A.; Selikhov, Alexander N.; Cherkasov, Anton V.; Aysin, Rinat R.; Trifonov, Alexander A.","Electrophilic lithium carbazolide as an efficient trap for organolithium species: complexes containing monomeric <i>n</i>-BuLi, <i>t</i>-BuLi and Me<sub>3</sub>SiCH<sub>2</sub>Li units.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2452","2464","10.1039/d5dt02800k","","","0.71073","MoKα","","0.1449","0.0879","","","0.262","0.2837","","","","","","1.073","","","","has coordinates,has disorder","304306","2026-02-12","22:59:53",""
"7720039","12.7955","0.0005","21.3653","0.0007","17.8574","0.0005","90","","95.565","0.003","90","","4858.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H76 Li N -","- C56.998 H75.993 Li N -","- C227.992 H303.972 Li4 N4 -","4","1","","Bogachev, Mikhail A.; Selikhov, Alexander N.; Cherkasov, Anton V.; Aysin, Rinat R.; Trifonov, Alexander A.","Electrophilic lithium carbazolide as an efficient trap for organolithium species: complexes containing monomeric <i>n</i>-BuLi, <i>t</i>-BuLi and Me<sub>3</sub>SiCH<sub>2</sub>Li units.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2452","2464","10.1039/d5dt02800k","","","0.71073","MoKα","","0.1244","0.0897","","","0.2455","0.2762","","","","","","1.021","","","","has coordinates,has disorder","304306","2026-02-12","22:59:53",""
"7720040","38.6636","0.0014","13.1619","0.0005","20.1069","0.0009","90","","102.221","0.004","90","","10000.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H79 Li2 N Si -","- C54 H79 Li2 N Si -","- C432 H632 Li16 N8 Si8 -","8","2","","Bogachev, Mikhail A.; Selikhov, Alexander N.; Cherkasov, Anton V.; Aysin, Rinat R.; Trifonov, Alexander A.","Electrophilic lithium carbazolide as an efficient trap for organolithium species: complexes containing monomeric <i>n</i>-BuLi, <i>t</i>-BuLi and Me<sub>3</sub>SiCH<sub>2</sub>Li units.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2452","2464","10.1039/d5dt02800k","","","0.71073","MoKα","","0.1149","0.0732","","","0.1584","0.1784","","","","","","1.057","","","","has coordinates,has disorder","304306","2026-02-12","22:59:53",""
"7720041","22.7861","0.0005","19.6508","0.0003","23.5221","0.0005","90","","113.266","0.002","90","","9675.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H77 Li2 N -","- C54 H77 Li2 N -","- C432 H616 Li16 N8 -","8","2","","Bogachev, Mikhail A.; Selikhov, Alexander N.; Cherkasov, Anton V.; Aysin, Rinat R.; Trifonov, Alexander A.","Electrophilic lithium carbazolide as an efficient trap for organolithium species: complexes containing monomeric <i>n</i>-BuLi, <i>t</i>-BuLi and Me<sub>3</sub>SiCH<sub>2</sub>Li units.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2452","2464","10.1039/d5dt02800k","","","0.71073","MoKα","","0.1267","0.0765","","","0.186","0.2214","","","","","","1.032","","","","has coordinates,has disorder","304306","2026-02-12","22:59:53",""
"7720042","13.6754","0.0005","16.6156","0.0006","18.9107","0.0007","113.57","0.001","105.385","0.001","90.907","0.001","3761","0.2","99.95","","99.95","","","","","","","","","6","P -1","-P 1","2","","","","- C132 H114 Au8 Cl26 P8 Te4 -","- C132 H114 Au8 Cl26 P8 Te4 -","- C132 H114 Au8 Cl26 P8 Te4 -","1","0.5","","Ott, Adrian; Leis, Wolfgang; Seitz, Michael; Schnepf, Andreas","[Au<sub>8</sub>(TePh)<sub>4</sub>dppm<sub>2</sub>(Ph<sub>2</sub>PCHPPh<sub>2</sub>)<sub>2</sub>]Cl<sub>2</sub>: a water and air stable red-luminescent gold-tellurolate cluster with an excellent quantum yield.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2438","2442","10.1039/d5dt02489g","","x-ray","0.71073","MoKα","","0.0279","0.0225","","","0.0505","0.0533","","","","","","1.1","","","","has coordinates","304307","2026-02-12","23:00:12",""
"7720043","8.185","0.004","10.141","0.004","13.801","0.007","85.22","0.03","79.67","0.03","66.51","0.03","1033.5","0.9","303","","301","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Cu2 N8 O11 -","- C12 H18 Cu2 N8 O11 -","- C24 H36 Cu4 N16 O22 -","2","1","","Manna, Anupama; Ansari, Mohammad Fawad; Arjmand, Farukh; Jagličić, Zvonko; Herchel, Radovan; Ray, Debashis","Phenoxido-bridged open-cubane [Cu<sub>4</sub>(μ<sub>3</sub>-OH)<sub>2</sub>] and stepped-cubane [Cu<sub>4</sub>(μ<sub>3</sub>-OMe)<sub>2</sub>] complexes from a semicarbazone Schiff base: synthesis, anion-coordination-tunable structures, biomimicking functions, DNA binding, magnetic behavior and theoretical support.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3750","3767","10.1039/d5dt03005f","","","0.71073","MoKα","","0.1294","0.0641","","","0.1073","0.1221","","","","","","1.086","","","","has coordinates","304916","2026-03-05","12:53:11",""
"7720044","13.9537","0.0014","25.08","0.002","14.9365","0.0014","90","","117.783","0.004","90","","4624.6","0.8","303","","303","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Cl4 Cu4 N12 O29 -","- C22 H38 Cl4 Cu4 N12 O29 -","- C88 H152 Cl16 Cu16 N48 O116 -","4","1","","Manna, Anupama; Ansari, Mohammad Fawad; Arjmand, Farukh; Jagličić, Zvonko; Herchel, Radovan; Ray, Debashis","Phenoxido-bridged open-cubane [Cu<sub>4</sub>(μ<sub>3</sub>-OH)<sub>2</sub>] and stepped-cubane [Cu<sub>4</sub>(μ<sub>3</sub>-OMe)<sub>2</sub>] complexes from a semicarbazone Schiff base: synthesis, anion-coordination-tunable structures, biomimicking functions, DNA binding, magnetic behavior and theoretical support.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3750","3767","10.1039/d5dt03005f","","","0.71073","MoKα","","0.0591","0.0451","","","0.122","0.1426","","","","","","1.1154","","","","has coordinates","304916","2026-03-05","12:53:12",""
"7720045","16.444","0.003","19.237","0.004","25.411","0.005","90","","107.47","0.03","90","","7668","3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C317 H242 Ag38 F6 Mo2 O45 P14 S2 -","- C317 H242 Ag38 F6 Mo2 O45 P14 S2 -","- C317 H242 Ag38 F6 Mo2 O45 P14 S2 -","1","0.5","","Ye, Xiao-Lin; Rezayati, Sobhan; Bigdeli, Fahime; Yang, Le; Liu, Kuan-Guan; Wei, Jianyu; Morsali, Ali","Developing two high-nuclearity Ag nanoclusters with temperature-sensitive fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4298","4305","10.1039/d5dt02009c","","","0.71073","MoKα","","0.0344","0.0283","","","0.0466","0.0488","","","","","","1.065","","","","has coordinates,has disorder","305359","2026-04-05","12:01:42",""
"7720046","17.2664","0.0006","17.8141","0.0006","29.2674","0.0009","80.312","0.001","74.594","0.001","87.937","0.001","8554.6","0.5","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C161.5 H157 Ag19 B2 Cr F8 O31.5 P8 -","- C158 H143 Ag19 B2 Cr F8 O28 P8 -","- C316 H286 Ag38 B4 Cr2 F16 O56 P16 -","2","1","","Ye, Xiao-Lin; Rezayati, Sobhan; Bigdeli, Fahime; Yang, Le; Liu, Kuan-Guan; Wei, Jianyu; Morsali, Ali","Developing two high-nuclearity Ag nanoclusters with temperature-sensitive fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4298","4305","10.1039/d5dt02009c","","x-ray","0.71073","MoKα","","0.0885","0.0593","","","0.1331","0.1514","","","","","","1.076","","","","has coordinates,has disorder","305359","2026-04-05","12:01:42",""
"7720047","10.8701","0.0015","12.3027","0.0017","16.905","0.002","78.932","0.002","73.301","0.002","73.616","0.002","2062.3","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H56 Mg N3 P -","- C46.5 H56 Mg N3 P -","- C93 H112 Mg2 N6 P2 -","2","1","","Pi, Chengfu; Zhou, Jie","Isolation and reactivity of heteroleptic magnesium 1,3-benzazaphospholide complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2673","2680","10.1039/d5dt03010b","","","0.71073","MoKα","","0.0609","0.0437","","","0.1138","0.125","","","","","","1.015","","","","has coordinates,has disorder","304310","2026-02-12","23:01:50",""
"7720048","11.8726","0.0003","19.6268","0.0004","18.8009","0.0004","90","","95.925","0.001","90","","4357.6","0.17","296","2","296.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C47 H60 Mg N3 O P -","- C47 H60 Mg N3 O P -","- C188 H240 Mg4 N12 O4 P4 -","4","1","","Pi, Chengfu; Zhou, Jie","Isolation and reactivity of heteroleptic magnesium 1,3-benzazaphospholide complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2673","2680","10.1039/d5dt03010b","","","0.71073","MoKα","","0.0399","0.0342","","","0.0851","0.0884","","","","","","1.046","","","","has coordinates,has disorder","304310","2026-02-12","23:01:51",""
"7720049","11.1505","0.0005","12.2547","0.0005","17.442","0.0007","82.51","0.002","81.711","0.002","69.129","0.002","2195.67","0.16","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H62 Mg N3 O1.5 P -","- C48 H62 Mg N3 O1.5 P -","- C96 H124 Mg2 N6 O3 P2 -","2","1","","Pi, Chengfu; Zhou, Jie","Isolation and reactivity of heteroleptic magnesium 1,3-benzazaphospholide complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2673","2680","10.1039/d5dt03010b","","","0.71073","MoKα","","0.0637","0.0521","","","0.1219","0.1302","","","","","","1.117","","","","has coordinates,has disorder","304310","2026-02-12","23:01:51",""
"7720050","10.0667","0.0015","11.3787","0.0017","18.648","0.003","91.558","0.002","96.792","0.002","105.766","0.002","2037.3","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45.5 H54 Mg N3 P -","- C45.5 H54 Mg N3 P -","- C91 H108 Mg2 N6 P2 -","2","1","","Pi, Chengfu; Zhou, Jie","Isolation and reactivity of heteroleptic magnesium 1,3-benzazaphospholide complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2673","2680","10.1039/d5dt03010b","","","0.71073","MoKα","","0.0594","0.0453","","","0.1237","0.1325","","","","","","1.066","","","","has coordinates,has disorder","304310","2026-02-12","23:01:51",""
"7720051","38.47","0.004","13.363","0.0015","15.7513","0.0017","90","","93.695","0.002","90","","8080.5","1.5","100.15","","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H52 Mg N3 P S2 -","- C43 H52 Mg N3 P S2 -","- C344 H416 Mg8 N24 P8 S16 -","8","1","","Pi, Chengfu; Zhou, Jie","Isolation and reactivity of heteroleptic magnesium 1,3-benzazaphospholide complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2673","2680","10.1039/d5dt03010b","","","0.71073","MoKα","","0.1064","0.086","","","0.2334","0.256","","","","","","1.034","","","","has coordinates","304310","2026-02-12","23:01:51",""
"7720052","10.701","0.005","14.209","0.006","18.491","0.008","100.258","0.01","94.936","0.014","94.487","0.014","2744","2","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C29.5 H30 Cl2 N P Pd -","- C29.5 H30 Cl2 N P Pd -","- C118 H120 Cl8 N4 P4 Pd4 -","4","2","","Fortuna, Payton A.; Kelley, Leslie S. G.; Sun, Yipeng; Xu, Jiabin; Wang, Zhiqiang; Boyle, Paul D.; Sham, Tsun-Kong; Staroverov, Viktor N.; Blacquiere, Johanna M.","A change in ligand hapticity promotes Lewis base dissociation.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2556","2563","10.1039/d5dt02402a","","","0.71073","MoKα","","0.0544","0.0362","","","0.0813","0.088","","","","","","1.026","","","","has coordinates","304311","2026-02-12","23:02:11",""
"7720053","5.41878","0.00006","5.41878","0.00006","26.2776","0.0003","90","","90","","120","","668.22","0.013","298","","298","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- B4 Ba3 Bi Dy O13 Pb -","- B4.00024 Ba3.00012 Bi Dy O13.0002 Pb -","- B8.00048 Ba6.00024 Bi2 Dy2 O26.0005 Pb2 -","2","0.0833333","","Lv, Yun; Wang, Yanhong; Shi, Nian; Huang, Keke; Tang, Jinkui; Lu, Hongcheng","Ba<sub>3</sub>BiPbREO(BO<sub>3</sub>)<sub>4</sub> (RE = Pr, Nd, Gd, and Dy): two-dimensional rare-earth antiferromagnets with a geometrically-perfect triangular lattice directed by a triangular BO<sub>3</sub> unit.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3786","3794","10.1039/d5dt03066h","powder diffraction","","","CuKα","","","","","","","","","7.3652","2.7","","","","","","","has coordinates","304926","2026-03-05","12:56:59",""
"7720054","5.4387","0.0004","5.4387","0.0004","26.384","0.002","90","","90","","120","","675.87","0.09","298","2","298","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- B4 Ba3 Bi Gd O13 Pb -","- B4 Ba3 Bi Gd O13 Pb -","- B8 Ba6 Bi2 Gd2 O26 Pb2 -","2","0.0833333","","Lv, Yun; Wang, Yanhong; Shi, Nian; Huang, Keke; Tang, Jinkui; Lu, Hongcheng","Ba<sub>3</sub>BiPbREO(BO<sub>3</sub>)<sub>4</sub> (RE = Pr, Nd, Gd, and Dy): two-dimensional rare-earth antiferromagnets with a geometrically-perfect triangular lattice directed by a triangular BO<sub>3</sub> unit.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3786","3794","10.1039/d5dt03066h","","","0.71073","MoKα","","0.0745","0.0587","","","0.1291","0.1376","","","","","","1.14","","","","has coordinates,has disorder","304926","2026-03-05","12:56:59",""
"7720055","5.40402","0.00004","5.40402","0.00004","26.8712","0.0003","90","","90","","120","","679.597","0.01","298","","298","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- B4 Ba3 Bi Nd O13 Pb -","- B4.00024 Ba3.00012 Bi Nd O13.0005 Pb -","- B8.00048 Ba6.00024 Bi2 Nd2 O26.001 Pb2 -","2","0.0833333","","Lv, Yun; Wang, Yanhong; Shi, Nian; Huang, Keke; Tang, Jinkui; Lu, Hongcheng","Ba<sub>3</sub>BiPbREO(BO<sub>3</sub>)<sub>4</sub> (RE = Pr, Nd, Gd, and Dy): two-dimensional rare-earth antiferromagnets with a geometrically-perfect triangular lattice directed by a triangular BO<sub>3</sub> unit.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3786","3794","10.1039/d5dt03066h","powder diffraction","","","CuKα","","","","","","","","","16.3053","3.1","","","","","","","has coordinates","304926","2026-03-05","12:56:59",""
"7720056","5.394","0.0012","5.394","0.0012","26.94","0.007","90","","90","","120","","678.8","0.3","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- B4 Ba3 Bi O13 Pb Pr -","- B4 Ba3 Bi O13 Pb Pr -","- B8 Ba6 Bi2 O26 Pb2 Pr2 -","2","0.0833333","","Lv, Yun; Wang, Yanhong; Shi, Nian; Huang, Keke; Tang, Jinkui; Lu, Hongcheng","Ba<sub>3</sub>BiPbREO(BO<sub>3</sub>)<sub>4</sub> (RE = Pr, Nd, Gd, and Dy): two-dimensional rare-earth antiferromagnets with a geometrically-perfect triangular lattice directed by a triangular BO<sub>3</sub> unit.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3786","3794","10.1039/d5dt03066h","","","0.71073","MoKα","","0.0861","0.0524","","","0.1082","0.1175","","","","","","1.068","","","","has coordinates,has disorder","304926","2026-03-05","12:56:59",""
"7720057","15.0109","0.0008","15.0108","0.0008","19.9307","0.001","90","","90","","90","","4490.9","0.4","300","","300","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N2 O4 W -","- C22 H22 N2 O4 W -","- C176 H176 N16 O32 W8 -","8","1","","Bai, Pengtao; Liu, Yuzan; Fang, Li; Li, Ying; Wang, Jiahao; Cai, Yougen; Chen, Lei; Zhao, Jia-Jia; Song, Heng; Zong, Luyi; Xu, Chen","Electronically and sterically varied tungsten carbonyls applied to the selective dearomatization of N-heteroarenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3454","3459","10.1039/d6dt00164e","","x-ray","0.71073","MoKα","","0.0433","0.0233","","","0.0483","0.0555","","","","","","1.024","","","","has coordinates,has disorder","304907","2026-03-05","12:48:07",""
"7720058","12.344","0.004","9.316","0.004","21.158","0.009","90","","104.3","0.02","90","","2357.7","1.6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O4 W -","- C24 H24 N2 O4 W -","- C96 H96 N8 O16 W4 -","4","1","","Bai, Pengtao; Liu, Yuzan; Fang, Li; Li, Ying; Wang, Jiahao; Cai, Yougen; Chen, Lei; Zhao, Jia-Jia; Song, Heng; Zong, Luyi; Xu, Chen","Electronically and sterically varied tungsten carbonyls applied to the selective dearomatization of N-heteroarenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3454","3459","10.1039/d6dt00164e","","","0.71073","MoKα","","0.0981","0.0462","","","0.0775","0.0914","","","","","","1.013","","","","has coordinates","304907","2026-03-05","12:48:07",""
"7720059","14.101","0.0003","10.3729","0.0002","28.2822","0.0005","90","","95.963","0.001","90","","4114.4","0.14","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H49 N5 O4 W -","- C41 H49 N5 O4 W -","- C164 H196 N20 O16 W4 -","4","1","","Bai, Pengtao; Liu, Yuzan; Fang, Li; Li, Ying; Wang, Jiahao; Cai, Yougen; Chen, Lei; Zhao, Jia-Jia; Song, Heng; Zong, Luyi; Xu, Chen","Electronically and sterically varied tungsten carbonyls applied to the selective dearomatization of N-heteroarenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3454","3459","10.1039/d6dt00164e","","","0.71073","MoKα","","0.0368","0.029","","","0.0601","0.0619","","","","","","1.211","","","","has coordinates","304907","2026-03-05","12:48:07",""
"7720060","12.1044","0.0005","12.5818","0.0005","11.5585","0.0004","90","","115.858","0.002","90","","1584.06","0.11","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B10 H11 N2 Na O18 -","- B10 H11 N2 Na O18 -","- B40 H44 N8 Na4 O72 -","4","1","","Wulamu, Kelibinuer; Yan, Ziting; Chu, Dongdong; Lu, Juanjuan; Zhang, Yanhui; Du, Hong","CsB(OH)<sub>4</sub>(H<sub>2</sub>O)<sub>2</sub> and Na(NH<sub>4</sub>)<sub>2</sub>B<sub>10</sub>O<sub>16</sub>OH(H<sub>2</sub>O): a hydroxylation modification strategy regulates the borate structures and optical properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3521","3527","10.1039/d5dt02928g","","","0.71073","MoKα","","0.0635","0.0461","","","0.1291","0.139","","","","","","1.094","","","","has coordinates,has disorder","304904","2026-03-05","12:46:49",""
"7720061","12.1565","0.0013","6.0425","0.0007","17.3444","0.0017","90","","90","","90","","1274","0.2","273.15","","273.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- B Cs H8 O6 -","- B Cs H8 O6 -","- B8 Cs8 H64 O48 -","8","2","","Wulamu, Kelibinuer; Yan, Ziting; Chu, Dongdong; Lu, Juanjuan; Zhang, Yanhui; Du, Hong","CsB(OH)<sub>4</sub>(H<sub>2</sub>O)<sub>2</sub> and Na(NH<sub>4</sub>)<sub>2</sub>B<sub>10</sub>O<sub>16</sub>OH(H<sub>2</sub>O): a hydroxylation modification strategy regulates the borate structures and optical properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3521","3527","10.1039/d5dt02928g","","","0.71073","MoKα","","0.0206","0.0202","","","0.0472","0.0474","","","","","","1.079","","","","has coordinates","304904","2026-03-05","12:46:50",""
"7720062","14.2266","0.0007","14.5459","0.0006","17.7323","0.0008","79.054","0.004","70.147","0.004","61.742","0.005","3038.2","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H58 F6 N Ni P5 S2 -","- C65 H58 F6 N Ni P5 S2 -","- C130 H116 F12 N2 Ni2 P10 S4 -","2","1","","Pal, Sarvesh Kumar; Mishra, Anjali; Mishra, Gaurav Kumar; Hansson, Ruben; Jaiswal, Vishal; Nordlander, Ebbe; Lisensky, George; Singh, Amrendra Kumar; Singh, Nanhai; Lama, Prem; Kumar, Kamlesh","Cationic heteroleptic Ni(II) complexes of dithiocarbamate and phosphine ligands: synthesis, characterization and proton reduction study.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3375","3387","10.1039/d5dt02840j","","","1.54184","CuKα","","0.0698","0.0551","","","0.151","0.1661","","","","","","1.042","","","","has coordinates,has disorder","304906","2026-03-05","12:47:30",""
"7720063","11.2659","0.0003","13.1885","0.0005","15.769","0.0004","68.936","0.003","84.682","0.002","89.924","0.002","2175.7","0.12","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H44 F6 N Ni O P3 S2 -","- C43 H44 F6 N Ni O P3 S2 -","- C86 H88 F12 N2 Ni2 O2 P6 S4 -","2","1","","Pal, Sarvesh Kumar; Mishra, Anjali; Mishra, Gaurav Kumar; Hansson, Ruben; Jaiswal, Vishal; Nordlander, Ebbe; Lisensky, George; Singh, Amrendra Kumar; Singh, Nanhai; Lama, Prem; Kumar, Kamlesh","Cationic heteroleptic Ni(II) complexes of dithiocarbamate and phosphine ligands: synthesis, characterization and proton reduction study.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3375","3387","10.1039/d5dt02840j","","","0.71073","MoKα","","0.0771","0.0539","","","0.1442","0.161","","","","","","1.083","","","","has coordinates,has disorder","304906","2026-03-05","12:47:31",""
"7720064","10.2238","0.0004","14.4135","0.0006","12.2816","0.0005","90","","101.31","0.004","90","","1774.68","0.13","173","3","173","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Cl2 N4 O14 -","- C32 H42 Cl2 N4 O14 -","- C64 H84 Cl4 N8 O28 -","2","0.5","","Siakalli, Christina; Osborne, Bradley E.; Brown, Ryan K.; Rocco, Claudia; Weiss, Dominik; García-España, Enrique V; Grundler, Pascal V.; Moiseeva, Anzhelika N.; Talip, Zeynep; van der Meulen, Nicholas P.; Ma, Michelle T.; Long, Nicholas J.","Hydroxyquinoline-functionalised aza-crown macrocycles for lanthanide coordination.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3413","3421","10.1039/d5dt03015c","","x-ray","1.54184","CuKα","","0.069","0.0488","","","0.1235","0.1413","","","","","","1.057","","","","has coordinates","304905","2026-03-05","12:47:09",""
"7720065","20.3932","0.0004","11.4737","0.0002","16.2053","0.0004","90","","109.809","0.003","90","","3567.43","0.15","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Cl2 La N4 O14 -","- C32 H39 Cl2 La N4 O14 -","- C128 H156 Cl8 La4 N16 O56 -","4","1","","Siakalli, Christina; Osborne, Bradley E.; Brown, Ryan K.; Rocco, Claudia; Weiss, Dominik; García-España, Enrique V; Grundler, Pascal V.; Moiseeva, Anzhelika N.; Talip, Zeynep; van der Meulen, Nicholas P.; Ma, Michelle T.; Long, Nicholas J.","Hydroxyquinoline-functionalised aza-crown macrocycles for lanthanide coordination.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3413","3421","10.1039/d5dt03015c","","","1.54184","CuKα","","0.0582","0.0385","","","0.087","0.0992","","","","","","1.042","","","","has coordinates","304905","2026-03-05","12:47:10",""
"7720066","7.29929","0.00006","17.8359","0.0002","7.24461","0.00006","90","","118.998","0.0004","90","","824.933","0.014","298","","298","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Rb2 Te8 W4 -","- Rb2 Te8 W4 -","- Rb4 Te16 W8 -","2","0.5","","Schmidt, Patrick; Strauß, Fabian; Scheele, Marcus; Romao, Carl P.; Meyer, Hans-Jürgen","Intercalation of alkali metal into WTe<sub>2</sub>, the crystal structure of <i>A</i><sub>0.5</sub>WTe<sub>2</sub> and observation of a metal-to-semiconductor transition.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3296","3309","10.1039/d5dt02775f","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.5274","1.0001","","","","","","","has coordinates","304910","2026-03-05","12:49:33",""
"7720067","7.29984","0.00006","18.5213","0.0003","7.24484","0.00006","90","","118.93","0.0004","90","","857.29","0.017","298","","298","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Cs2 Te8 W4 -","- Cs2 Te8 W4 -","- Cs4 Te16 W8 -","2","0.5","","Schmidt, Patrick; Strauß, Fabian; Scheele, Marcus; Romao, Carl P.; Meyer, Hans-Jürgen","Intercalation of alkali metal into WTe<sub>2</sub>, the crystal structure of <i>A</i><sub>0.5</sub>WTe<sub>2</sub> and observation of a metal-to-semiconductor transition.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3296","3309","10.1039/d5dt02775f","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.7201","1.0898","","","","","","","has coordinates","304910","2026-03-05","12:49:34",""
"7720068","7.29743","0.00008","17.2594","0.0002","7.24144","0.00008","90","","119.107","0.0004","90","","796.874","0.016","298","","298","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- K2 Te8 W4 -","- K2 Te8 W4 -","- K4 Te16 W8 -","2","0.5","","Schmidt, Patrick; Strauß, Fabian; Scheele, Marcus; Romao, Carl P.; Meyer, Hans-Jürgen","Intercalation of alkali metal into WTe<sub>2</sub>, the crystal structure of <i>A</i><sub>0.5</sub>WTe<sub>2</sub> and observation of a metal-to-semiconductor transition.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3296","3309","10.1039/d5dt02775f","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.4426","1.0109","","","","","","","has coordinates","304910","2026-03-05","12:49:34",""
"7720069","24.4993","0.0007","14.6755","0.0004","13.4219","0.0004","90","","92.191","0.001","90","","4822.2","0.2","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 B Fe1.5 N10 O S -","- C22 H17 B Fe1.5 N10 O S -","- C176 H136 B8 Fe12 N80 O8 S8 -","8","1","","Li, Xin-Feng; Wang, Hao; Chen, Du-Yong; Liu, Qiang; Xiao, Jingyi; Wen, Wen; Jiang, Wen-Jing; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Modulating multi-channel bistability in cyanide-bridged {Fe<sub>2</sub>Fe} spin-crossover coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2702","2708","10.1039/d5dt02923f","","","0.71073","MoKα","","0.0407","0.0327","","","0.0763","0.0822","","","","","","1.053","","","","has coordinates","304318","2026-02-12","23:07:54",""
"7720070","24.8845","0.0009","15.0561","0.0005","13.722","0.0005","90","","90","","90","","5141.1","0.3","300","","300","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C23 H19 B Fe1.5 N10 O S -","- C23 H19 B Fe1.5 N10 O S -","- C184 H152 B8 Fe12 N80 O8 S8 -","8","1","","Li, Xin-Feng; Wang, Hao; Chen, Du-Yong; Liu, Qiang; Xiao, Jingyi; Wen, Wen; Jiang, Wen-Jing; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Modulating multi-channel bistability in cyanide-bridged {Fe<sub>2</sub>Fe} spin-crossover coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2702","2708","10.1039/d5dt02923f","","","0.71073","MoKα","","0.0842","0.0532","","","0.129","0.1445","","","","","","1.106","","","","has coordinates","304318","2026-02-12","23:07:55",""
"7720071","24.9757","0.0014","14.8152","0.001","13.6874","0.0009","90","","92.579","0.002","90","","5059.5","0.6","300.1","","300.1","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 B Fe1.5 N10 O S -","- C22 H17 B Fe1.5 N10 O S -","- C176 H136 B8 Fe12 N80 O8 S8 -","8","1","","Li, Xin-Feng; Wang, Hao; Chen, Du-Yong; Liu, Qiang; Xiao, Jingyi; Wen, Wen; Jiang, Wen-Jing; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Modulating multi-channel bistability in cyanide-bridged {Fe<sub>2</sub>Fe} spin-crossover coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2702","2708","10.1039/d5dt02923f","","","0.71073","MoKα","","0.0312","0.026","","","0.0655","0.0691","","","","","","1.049","","","","has coordinates","304318","2026-02-12","23:07:55",""
"7720072","24.4571","0.0009","14.8845","0.0006","13.4957","0.0005","90","","90","","90","","4912.9","0.3","120","","120","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C23 H19 B Fe1.5 N10 O S -","- C23 H19 B Fe1.5 N10 O S -","- C184 H152 B8 Fe12 N80 O8 S8 -","8","1","","Li, Xin-Feng; Wang, Hao; Chen, Du-Yong; Liu, Qiang; Xiao, Jingyi; Wen, Wen; Jiang, Wen-Jing; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Modulating multi-channel bistability in cyanide-bridged {Fe<sub>2</sub>Fe} spin-crossover coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2702","2708","10.1039/d5dt02923f","","","0.71073","MoKα","","0.0649","0.0488","","","0.1143","0.1218","","","","","","1.146","","","","has coordinates","304318","2026-02-12","23:07:55",""
"7720073","6.3548","0.0002","14.1867","0.0004","31.7085","0.0009","90","","92.027","0.001","90","","2856.85","0.15","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Dy O16 -","- C30 H23 Dy O16 -","- C120 H92 Dy4 O64 -","4","1","","Hollauer, Henrique V. P.; Guedes, Guilherme P.; Mariano, Davor L.; Ghivelder, Luís; Mendonça, Alberto A; Soriano, Stéphane; Farias, Renan L.; Escobar, Lívia B L","Unveiling single-ion magnetism in lanthanide-coumarin carboxylate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2665","2672","10.1039/d5dt02478a","","","0.71073","MoKα","","0.0172","0.0169","","","0.0386","0.0388","","","","","","1.27","","","","has coordinates","304319","2026-02-12","23:08:18",""
"7720074","6.6882","0.0002","14.4802","0.0004","16.4316","0.0005","115.462","0.001","93.876","0.001","94.699","0.001","1422.57","0.07","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H23 Gd O16 -","- C30 H23 Gd O16 -","- C60 H46 Gd2 O32 -","2","1","","Hollauer, Henrique V. P.; Guedes, Guilherme P.; Mariano, Davor L.; Ghivelder, Luís; Mendonça, Alberto A; Soriano, Stéphane; Farias, Renan L.; Escobar, Lívia B L","Unveiling single-ion magnetism in lanthanide-coumarin carboxylate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2665","2672","10.1039/d5dt02478a","","","0.71073","MoKα","","0.0187","0.0175","","","0.0402","0.0415","","","","","","1.109","","","","has coordinates","304319","2026-02-12","23:08:19",""
"7720075","9.5534","0.0005","9.796","0.0005","15.4982","0.0007","90","","106.154","0.002","90","","1393.14","0.12","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cu N6 O -","- C15 H10 Cu N6 O -","- C60 H40 Cu4 N24 O4 -","4","1","","Roy, Amit Saha; Ghosh, Sourav; Nath, Indranil; Caballero, Sergi; Escuer, Albert; Mayans, Júlia; Swain, Shasank Sekhar","Field-induced slow magnetic relaxation, molecular docking and antibacterial studies of quasi-isotropic copper(II) (<i>S</i> = ½) systems stabilised by tetradentate (ONNO) and tridentate (NNO)-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4062","4074","10.1039/d6dt00119j","","","0.71073","MoKα","","0.0919","0.0485","","","0.1204","0.142","","","","","","0.84","","","","has coordinates","305367","2026-04-05","12:04:10",""
"7720076","8.5837","0.0005","24.7178","0.0012","7.6373","0.0004","90","","113.709","0.002","90","","1483.64","0.14","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cu N4 O S -","- C16 H10 Cu N4 O S -","- C64 H40 Cu4 N16 O4 S4 -","4","1","","Roy, Amit Saha; Ghosh, Sourav; Nath, Indranil; Caballero, Sergi; Escuer, Albert; Mayans, Júlia; Swain, Shasank Sekhar","Field-induced slow magnetic relaxation, molecular docking and antibacterial studies of quasi-isotropic copper(II) (<i>S</i> = ½) systems stabilised by tetradentate (ONNO) and tridentate (NNO)-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4062","4074","10.1039/d6dt00119j","","","0.71073","MoKα","","0.055","0.0405","","","0.1236","0.1323","","","","","","0.969","","","","has coordinates","305367","2026-04-05","12:04:10",""
"7720077","8.5871","0.0006","7.6095","0.0005","12.0102","0.0008","90","","96.616","0.003","90","","779.56","0.09","273","2","273.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H13 Cu N3 O3 -","- C17 H13 Cu N3 O3 -","- C34 H26 Cu2 N6 O6 -","2","1","","Roy, Amit Saha; Ghosh, Sourav; Nath, Indranil; Caballero, Sergi; Escuer, Albert; Mayans, Júlia; Swain, Shasank Sekhar","Field-induced slow magnetic relaxation, molecular docking and antibacterial studies of quasi-isotropic copper(II) (<i>S</i> = ½) systems stabilised by tetradentate (ONNO) and tridentate (NNO)-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4062","4074","10.1039/d6dt00119j","","x-ray","0.71073","MoKα","","0.0762","0.0516","","","0.1086","0.1147","","","","","","1.025","","","","has coordinates","305367","2026-04-05","12:04:10",""
"7720078","8.9072","0.0004","10.1735","0.0005","22.3801","0.0011","98.737","0.002","90.706","0.002","100.614","0.002","1968.5","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H80 Cu4 N8 O20 -","- C76 H80 Cu4 N8 O20 -","- C76 H80 Cu4 N8 O20 -","1","0.5","","Roy, Amit Saha; Ghosh, Sourav; Nath, Indranil; Caballero, Sergi; Escuer, Albert; Mayans, Júlia; Swain, Shasank Sekhar","Field-induced slow magnetic relaxation, molecular docking and antibacterial studies of quasi-isotropic copper(II) (<i>S</i> = ½) systems stabilised by tetradentate (ONNO) and tridentate (NNO)-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4062","4074","10.1039/d6dt00119j","","","0.71073","MoKα","","0.0896","0.0569","","","0.1241","0.1401","","","","","","1.018","","","","has coordinates,has disorder","305367","2026-04-05","12:04:10",""
"7720079","5.6752","0.0011","13.728","0.003","21.379","0.004","90","","90","","90","","1665.6","0.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N Rh -","- C20 H20 N Rh -","- C80 H80 N4 Rh4 -","4","1","","Yan, Jiayu; Sun, Jian; Zhou, Shuangliu","Half-sandwich η<sup>5</sup>-pyrrolyl rhodium(I) complexes with alkene coordination: synthesis and reactivity exploration.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3682","3686","10.1039/d6dt00024j","","","0.71073","MoKα","","0.0499","0.0374","","","0.0769","0.0815","","","","","","1.008","","","","has coordinates","304918","2026-03-05","12:54:18",""
"7720080","11.629","0.005","12.484","0.007","12.696","0.006","88.53","0.02","65.778","0.015","69.592","0.016","1560.5","1.4","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C29 H40 Cu F3 N2 O3 Rh2 S -","- C29 H40 Cu F3 N2 O3 Rh2 S -","- C58 H80 Cu2 F6 N4 O6 Rh4 S2 -","2","1","","Yan, Jiayu; Sun, Jian; Zhou, Shuangliu","Half-sandwich η<sup>5</sup>-pyrrolyl rhodium(I) complexes with alkene coordination: synthesis and reactivity exploration.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3682","3686","10.1039/d6dt00024j","","","0.71073","MoKα","","0.0767","0.0454","","","0.0972","0.1157","","","","","","1.068","","","","has coordinates,has disorder","304918","2026-03-05","12:54:18",""
"7720081","10.8808","0.0004","9.6579","0.0004","18.3867","0.0008","90","","103.021","0.001","90","","1882.5","0.13","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N Rh -","- C24 H24 N Rh -","- C96 H96 N4 Rh4 -","4","1","","Yan, Jiayu; Sun, Jian; Zhou, Shuangliu","Half-sandwich η<sup>5</sup>-pyrrolyl rhodium(I) complexes with alkene coordination: synthesis and reactivity exploration.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3682","3686","10.1039/d6dt00024j","","","0.71073","MoKα","","0.0406","0.0292","","","0.0573","0.0644","","","","","","1.099","","","","has coordinates","304918","2026-03-05","12:54:18",""
"7720082","8.3231","0.0004","15.0509","0.0007","10.6915","0.0005","90","","105.818","0.002","90","","1288.61","0.11","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N Rh -","- C14 H20 N Rh -","- C56 H80 N4 Rh4 -","4","1","","Yan, Jiayu; Sun, Jian; Zhou, Shuangliu","Half-sandwich η<sup>5</sup>-pyrrolyl rhodium(I) complexes with alkene coordination: synthesis and reactivity exploration.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3682","3686","10.1039/d6dt00024j","","","0.71073","MoKα","","0.0733","0.0539","","","0.1168","0.1252","","","","","","1.104","","","","has coordinates","304918","2026-03-05","12:54:18",""
"7720083","14.9045","0.0008","10.9709","0.0005","21.0161","0.0011","90","","94.732","0.002","90","","3424.8","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H46 N5 Rh -","- C39.5 H46 N5 Rh -","- C158 H184 N20 Rh4 -","4","1","","Yan, Jiayu; Sun, Jian; Zhou, Shuangliu","Half-sandwich η<sup>5</sup>-pyrrolyl rhodium(I) complexes with alkene coordination: synthesis and reactivity exploration.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3682","3686","10.1039/d6dt00024j","","","0.71073","MoKα","","0.1025","0.0593","","","0.1168","0.1325","","","","","","1.036","","","","has coordinates,has disorder","304918","2026-03-05","12:54:18",""
"7720084","8.2982","0.0003","11.4047","0.0006","21.3013","0.0011","104.057","0.002","92.473","0.002","92.499","0.002","1950.69","0.16","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H42 N4 Rh -","- C46 H42 N4 Rh -","- C92 H84 N8 Rh2 -","2","1","","Yan, Jiayu; Sun, Jian; Zhou, Shuangliu","Half-sandwich η<sup>5</sup>-pyrrolyl rhodium(I) complexes with alkene coordination: synthesis and reactivity exploration.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3682","3686","10.1039/d6dt00024j","","","0.71073","MoKα","","0.0599","0.0368","","","0.0726","0.0803","","","","","","1.009","","","","has coordinates","304918","2026-03-05","12:54:18",""
"7720085","7.6385","0.0011","19.358","0.003","20.35","0.003","87.727","0.004","89.49","0.005","83.562","0.005","2987.7","0.8","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H35 N4 Rh -","- C33 H35 N4 Rh -","- C132 H140 N16 Rh4 -","4","2","","Yan, Jiayu; Sun, Jian; Zhou, Shuangliu","Half-sandwich η<sup>5</sup>-pyrrolyl rhodium(I) complexes with alkene coordination: synthesis and reactivity exploration.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3682","3686","10.1039/d6dt00024j","","x-ray","0.71073","MoKα","","0.1377","0.0957","","","0.2596","0.2821","","","","","","1.04","","","","has coordinates","304918","2026-03-05","12:54:18",""
"7720086","10.0313","0.0008","13.8812","0.0013","20.2598","0.0019","105.459","0.003","100.372","0.003","97.726","0.003","2624.6","0.4","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 N2 Rh2 -","- C28 H40 N2 Rh2 -","- C112 H160 N8 Rh8 -","4","2","","Yan, Jiayu; Sun, Jian; Zhou, Shuangliu","Half-sandwich η<sup>5</sup>-pyrrolyl rhodium(I) complexes with alkene coordination: synthesis and reactivity exploration.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3682","3686","10.1039/d6dt00024j","","x-ray","0.71073","MoKα","","0.1329","0.0756","","","0.1732","0.2058","","","","","","1.03","","","","has coordinates","304918","2026-03-05","12:54:18",""
"7720087","11.0388","0.0002","11.9616","0.0001","13.6884","0.0002","64.115","0.001","67.902","0.001","89.325","0.001","1481.24","0.04","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H54 Bi2 Cl6 N10 Se4 -","- C48 H54 Bi2 Cl6 N10 Se4 -","- C48 H54 Bi2 Cl6 N10 Se4 -","1","0.5","","Kulkarni, Atharva Yeshwant; Majumder, Dwaipayan; Nigam, Sandeep; Tripathi, Vaidehi S.; Wadawale, Amey P.; Bahadur, Jitendra; Pathak, Ankita; Karmakar, Gourab; Chauhan, Rohit Singh; Tyagi, Adish","Novel bismuth-selone molecular precursor based selective synthesis of Bi<sub>2</sub>Se<sub>3</sub> nanoplates and nanosheets: a promising electrocatalyst for hydrogen evolution in a neutral medium.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3570","3585","10.1039/d6dt00093b","","x-ray","1.54184","CuKα","","0.0489","0.029","","","0.0704","0.0815","","","","","","1.033","","","","has coordinates","304913","2026-03-05","12:50:24",""
"7720088","8.1732","0.0007","14.7747","0.0012","18.4363","0.0016","94.285","0.004","100.595","0.003","98.311","0.003","2153.6","0.3","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H31 F3 O12 Y2 -","- C40 H31 F3 O12 Y2 -","- C80 H62 F6 O24 Y4 -","2","1","","Wang, Ying; Gai, Yan-Li; Zhou, Xin; Wang, Hao; Xiong, Kecai","A stable yttrium-based metal-organic framework built on ladder building units for size-exclusion separation of hexane isomers.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2428","2432","10.1039/d5dt02828k","","","1.54178","CuKα","","0.0491","0.0448","","","0.1192","0.1234","","","","","","1.0346","","","","has coordinates,has disorder","304323","2026-02-12","23:10:31",""
"7720091","9.033","0.0001","28.6313","0.0004","13.768","0.0001","90","","93.052","0.001","90","","3555.72","0.07","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H41 Cl2 N3 P Zn -","- C35 H41 Cl2 N3 P Zn -","- C140 H164 Cl8 N12 P4 Zn4 -","4","1","","Xue, Xiaopan; Zhu, Dongzhi; Zhang, Wenjuan; Zheng, Tongxin; Wang, Rui; Ma, Yanping; Sun, Wen-Hua","Hybrid amino/iminopyridines with auxiliary phosphines enabling active zinc catalysts for the ring-opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3388","3399","10.1039/d5dt02857d","","x-ray","1.54184","CuKα","","0.0917","0.0851","","","0.2573","0.2652","","","","","","1.055","","","","has coordinates,has disorder","304912","2026-03-05","12:50:04",""
"7720092","14.1106","0.0005","15.8409","0.0006","16.7144","0.0005","63.087","0.004","69.006","0.003","71.911","0.003","3060.5","0.2","169.99","0.1","169.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C64 H72 Cl4 N6 P2 Zn2 -","- C64 H72 Cl4 N6 P2 Zn2 -","- C128 H144 Cl8 N12 P4 Zn4 -","2","1","","Xue, Xiaopan; Zhu, Dongzhi; Zhang, Wenjuan; Zheng, Tongxin; Wang, Rui; Ma, Yanping; Sun, Wen-Hua","Hybrid amino/iminopyridines with auxiliary phosphines enabling active zinc catalysts for the ring-opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3388","3399","10.1039/d5dt02857d","","x-ray","1.54184","CuKα","","0.0583","0.0463","","","0.1105","0.1167","","","","","","1.031","","","","has coordinates,has disorder","304912","2026-03-05","12:50:04",""
"7720093","14.3577","0.0002","22.6188","0.0003","30.3788","0.0005","90","","90","","90","","9865.6","0.2","295","2","295","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H44 Ag F6 N4 S4 Sb -","- C52 H44 Ag F6 N4 S4 Sb -","- C416 H352 Ag8 F48 N32 S32 Sb8 -","8","1","","Andrejević, Tina P; Branković, Jovica; Ilic-Tomic, Tatjana; Stevanović, Nevena; Pantović, Bojana; Ašanin, Darko P; Nikodinovic-Runic, Jasmina; Petrović, Vladimir P; Marković, Violeta R; Glišić, Biljana Đ","Silver(I) complexes with <i>N</i>-methylphenothiazine as potential antimicrobial agents with a multi-target mode of action.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3460","3474","10.1039/d5dt02898a","","","0.71073","MoKα","","0.0451","0.0345","","","0.086","0.0922","","","","","","1.014","","","","has coordinates","304908","2026-03-05","12:48:28",""
"7720094","14.1327","0.0002","22.4083","0.0004","30.6416","0.0005","90","","90","","90","","9703.9","0.3","295","2","295","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H44 Ag F6 N4 P S4 -","- C52 H44 Ag F6 N4 P S4 -","- C416 H352 Ag8 F48 N32 P8 S32 -","8","1","","Andrejević, Tina P; Branković, Jovica; Ilic-Tomic, Tatjana; Stevanović, Nevena; Pantović, Bojana; Ašanin, Darko P; Nikodinovic-Runic, Jasmina; Petrović, Vladimir P; Marković, Violeta R; Glišić, Biljana Đ","Silver(I) complexes with <i>N</i>-methylphenothiazine as potential antimicrobial agents with a multi-target mode of action.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3460","3474","10.1039/d5dt02898a","","","0.71073","MoKα","","0.0494","0.0353","","","0.0848","0.0927","","","","","","1.025","","","","has coordinates,has disorder","304908","2026-03-05","12:48:28",""
"7720095","12.1078","0.0002","12.8639","0.0002","16.611","0.0004","78.652","0.0017","76.3114","0.0017","87.9851","0.0014","2464.42","0.08","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H44.67 Ag F3 N4 O3.33 S5 -","- C53 H44.6666 Ag F3 N4 O3.3333 S5 -","- C106 H89.3332 Ag2 F6 N8 O6.6666 S10 -","2","1","","Andrejević, Tina P; Branković, Jovica; Ilic-Tomic, Tatjana; Stevanović, Nevena; Pantović, Bojana; Ašanin, Darko P; Nikodinovic-Runic, Jasmina; Petrović, Vladimir P; Marković, Violeta R; Glišić, Biljana Đ","Silver(I) complexes with <i>N</i>-methylphenothiazine as potential antimicrobial agents with a multi-target mode of action.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3460","3474","10.1039/d5dt02898a","","","0.71073","MoKα","","0.0476","0.0387","","","0.0999","0.1064","","","","","","1.014","","","","has coordinates,has disorder","304908","2026-03-05","12:48:28",""
"7720096","16.7781","0.0008","17.5851","0.0008","6.8233","0.0003","90","","90","","90","","2013.18","0.16","120","","120","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H52 Cu2 N4 O8 -","- C44 H52 Cu2 N4 O8 -","- C88 H104 Cu4 N8 O16 -","2","0.25","","Bhatti, Maria A.; Carrella, Luca M.; Streb, Carsten; Rentschler, Eva; Sundaresan, Sriram","Stability <i>vs.</i> activity in electrocatalytic hydrogen production and magnetic studies of mononuclear labile Cu(II) and Ni(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3866","3874","10.1039/d6dt00175k","","x-ray","0.71073","MoKα","","0.0756","0.0573","","","0.1539","0.1674","","","","","","1.096","","","","has coordinates","304922","2026-03-05","12:55:24",""
"7720097","23.377","0.0012","12.7547","0.0007","6.7212","0.0003","90","","94.89","0.004","90","","1996.74","0.17","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 N4 Ni2 O8 -","- C44 H52 N4 Ni2 O8 -","- C88 H104 N8 Ni4 O16 -","2","0.25","","Bhatti, Maria A.; Carrella, Luca M.; Streb, Carsten; Rentschler, Eva; Sundaresan, Sriram","Stability <i>vs.</i> activity in electrocatalytic hydrogen production and magnetic studies of mononuclear labile Cu(II) and Ni(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3866","3874","10.1039/d6dt00175k","","x-ray","0.71073","MoKα","","0.065","0.0483","","","0.1458","0.1534","","","","","","1.106","","","","has coordinates","304922","2026-03-05","12:55:25",""
"7720098","9.1199","0.0006","8.8684","0.0004","15.123","0.0008","90","","90","","90","","1223.13","0.12","296","2","293","2","","","","","","","synthesized","4","P b c n","-P 2n 2ab","60","","","","- C6 H6 N16 Zn -","- C6 H6 N16 Zn -","- C24 H24 N64 Zn4 -","4","0.5","","Singla, Priyanka; Sharma, Vanshika; Yashita, ?; Soni, Pramod K.; Rao, M. Raghavendra; Singh, Arjun; Sahoo, Subash C.","Design and synthesis of Zn(II)/Cd(II)-based energetic metal coordination polymers with the bis(tetrazole)methane (H2btm) ligand: a comparative assessment of heat resistance and catalytic effects on the thermal decomposition of ammonium perchlorate.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4204","4214","10.1039/d5dt02770e","","x-ray","0.71073","MoKα","","0.0434","0.0301","","","0.0617","0.0661","","","","","","1.038","","","","has coordinates","305365","2026-04-05","12:04:01",""
"7720099","9.6138","0.0003","8.5984","0.0003","13.8852","0.0004","90","","96.521","0.003","90","","1140.37","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H8 Br Cd1.5 N8 O3 -","- C3 H8 Br Cd1.5 N8 O3 -","- C12 H32 Br4 Cd6 N32 O12 -","4","1","","Singla, Priyanka; Sharma, Vanshika; Yashita, ?; Soni, Pramod K.; Rao, M. Raghavendra; Singh, Arjun; Sahoo, Subash C.","Design and synthesis of Zn(II)/Cd(II)-based energetic metal coordination polymers with the bis(tetrazole)methane (H2btm) ligand: a comparative assessment of heat resistance and catalytic effects on the thermal decomposition of ammonium perchlorate.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4204","4214","10.1039/d5dt02770e","","","0.71073","MoKα","","0.0315","0.0239","","","0.0505","0.0525","","","","","","1.073","","","","has coordinates,has disorder","305365","2026-04-05","12:04:01",""
"7720100","10.9423","0.0013","11.8086","0.0014","13.047","0.0016","111.781","0.001","90.373","0.001","97.365","0.001","1549.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H25 Cl2 F4 Ir N6 -","- C32 H25 Cl2 F4 Ir N6 -","- C64 H50 Cl4 F8 Ir2 N12 -","2","1","","Phan, Son N. T.; Schober, João V; Wu, Judy I.; Teets, Thomas S.","Synthesis and photoluminescence of iridium(III) arylacetylide complexes with acetylide-localized emissive excited states.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2499","2508","10.1039/d5dt02734a","","","0.71073","MoKα","","0.0144","0.0136","","","0.0335","0.0338","","","","","","1.054","","","","has coordinates","304330","2026-02-12","23:12:51",""
"7720101","22.3274","0.0008","10.0879","0.0004","20.9583","0.0009","90","","100.86","0.004","90","","4636","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H56 Al Co3 Mo6 N12 O43 -","- C6 H54 Al Co3 Mo6 N12 O43 -","- C24 H216 Al4 Co12 Mo24 N48 O172 -","4","0.5","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.0427","0.0387","","","0.1036","0.1064","","","","","","1.073","","","","has coordinates,has disorder","304909","2026-03-05","12:49:19",""
"7720102","7.00218","0.00005","21.64748","0.00014","13.63824","0.0001","90","","98.6221","0.0007","90","","2043.92","0.03","170","0.1","170","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H28 Al Co N8 O17 -","- C6 H28 Al Co N8 O17 -","- C24 H112 Al4 Co4 N32 O68 -","4","1","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.0246","0.0244","","","0.0634","0.0635","","","","","","1.038","","","","has coordinates","304909","2026-03-05","12:49:20",""
"7720103","16.6711","0.0001","16.6711","0.0001","23.1637","0.0002","90","","90","","90","","6437.78","0.08","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C8 H60 Co4 Ge Mo12 N16 O62 -","- C8 H56 Co4 Ge Mo12 N16 O62 -","- C32 H224 Co16 Ge4 Mo48 N64 O248 -","4","0.25","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.0446","0.0425","","","0.1141","0.1159","","","","","","1.046","","","","has coordinates","304909","2026-03-05","12:49:20",""
"7720104","13.0853","0.0003","12.0278","0.0003","25.9811","0.0008","90","","93.415","0.003","90","","4081.84","0.19","169.98","0.1","169.98","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H88 Co4 Mo12 N16 O68 Si -","- C24 H64 Co4 Mo12 N16 O56 Si -","- C48 H128 Co8 Mo24 N32 O112 Si2 -","2","0.5","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.0861","0.0766","","","0.2048","0.2144","","","","","","1.051","","","","has coordinates,has disorder","304909","2026-03-05","12:49:20",""
"7720105","13.132","0.0007","12.0745","0.0007","25.9671","0.0016","90","","93.3","0.005","90","","4110.6","0.4","177.1","0.2","177.1","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H88 Co4 Ge Mo12 N16 O68 -","- C24 H64 Co4 Ge Mo12 N16 O56 -","- C48 H128 Co8 Ge2 Mo24 N32 O112 -","2","0.5","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.1115","0.0881","","","0.2148","0.2299","","","","","","1.049","","","","has coordinates,has disorder","304909","2026-03-05","12:49:20",""
"7720106","11.5399","0.0009","6.9391","0.0006","19.323","0.002","90","","98.004","0.009","90","","1532.2","0.2","187.3","0.3","187.3","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H37 Al Co2 N8 O24 -","- C13 H36 Al Co2 N8 O24 -","- C26 H72 Al2 Co4 N16 O48 -","2","0.5","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.0931","0.0814","","","0.2241","0.2396","","","","","","1.049","","","","has coordinates","304909","2026-03-05","12:49:20",""
"7720107","11.2606","0.0006","11.9994","0.0006","16.4793","0.0004","72.528","0.003","70.557","0.004","72.466","0.005","1952.02","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H104 Co6 Mo6 N24 O64 Te -","- C12 H72 Co6 Mo6 N24 O64 Te -","- C12 H72 Co6 Mo6 N24 O64 Te -","1","0.5","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.0955","0.0861","","","0.2345","0.2477","","","","","","1.008","","","","has coordinates","304909","2026-03-05","12:49:20",""
"7720108","11.0309","0.0001","19.192","0.0001","11.1056","0.0001","90","","102.893","0.001","90","","2291.84","0.03","170","0.1","170","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C4 H48 Co2 Mo8 N8 Na2 O46 -","- C4 H48 Co2 Mo8 N8 Na2 O46 -","- C8 H96 Co4 Mo16 N16 Na4 O92 -","2","0.5","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.0442","0.0439","","","0.0965","0.0966","","","","","","1.191","","","","has coordinates","304909","2026-03-05","12:49:20",""
"7720109","11.4453","0.0006","14.172","0.0007","15.4608","0.0006","88.228","0.004","87.964","0.004","82.297","0.004","2482.7","0.2","169.99","0.1","169.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C12 H64 Cl2 Co2 Mo8 N12 O34 -","- C12 H52 Cl2 Co2 Mo8 N12 O34 -","- C24 H104 Cl4 Co4 Mo16 N24 O68 -","2","1","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.0472","0.0431","","","0.1087","0.1118","","","","","","1.051","","","","has coordinates,has disorder","304909","2026-03-05","12:49:20",""
"7720110","10.4262","0.0002","14.6913","0.0003","20.8988","0.0005","106.021","0.002","101.646","0.002","91.277","0.002","3003.13","0.12","186.8","0.3","186.8","0.3","","","","","","","","8","P -1","-P 1","2","","","","- C15 H54.5 Co3 Ge Mo6 N12 Na4 O53.75 -","- C15 H39 Co3 Ge Mo6 N12 Na4 O53.75 -","- C30 H78 Co6 Ge2 Mo12 N24 Na8 O107.5 -","2","1","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.0848","0.0723","","","0.1942","0.2056","","","","","","1.034","","","","has coordinates,has disorder","304909","2026-03-05","12:49:20",""
"7720111","23.4447","0.0001","15.34869","0.00006","20.3215","0.00008","90","","97.3211","0.0004","90","","7252.98","0.05","169.99","0.1","169.99","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H96 Co4 Mo6 N16 Na2 O56 Te -","- C24 H74 Co4 Mo6 N16 Na2 O56 Te -","- C96 H296 Co16 Mo24 N64 Na8 O224 Te4 -","4","0.5","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.0351","0.0345","","","0.0912","0.0917","","","","","","1.054","","","","has coordinates,has disorder","304909","2026-03-05","12:49:20",""
"7720112","5.3622","0.0007","8.688","0.001","19.054","0.002","95.539","0.008","91.382","0.008","105.27","0.007","851.19","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 F6 N4 O4 -","- C34 H46 F6 N4 O4 -","- C34 H46 F6 N4 O4 -","1","0.5","","Nunes, Inês M; Vieira, Bruno J. C.; Waerenborgh, João C; Romeu, Maria J.; Teixeira-Santos, Rita; Carapeto, Ana P.; Losada-García, Noelia; Mergulhão, Filipe J; Silva, Elisabete R.; Alves, Luis G.","Cyclam-based Cu(II) and Fe(III) complexes for antifouling coating development.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4108","4118","10.1039/d5dt01700a","","","0.71073","MoKα","","0.1745","0.0993","","","0.2686","0.311","","","","","","1.053","","","","has coordinates","305355","2026-04-05","12:01:14",""
"7720113","8.93","0.001","9.2703","0.0009","9.6657","0.0009","91.972","0.005","106.372","0.006","101.663","0.005","748.3","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 F6 N4 O2 -","- C30 H42 F6 N4 O2 -","- C30 H42 F6 N4 O2 -","1","0.5","","Nunes, Inês M; Vieira, Bruno J. C.; Waerenborgh, João C; Romeu, Maria J.; Teixeira-Santos, Rita; Carapeto, Ana P.; Losada-García, Noelia; Mergulhão, Filipe J; Silva, Elisabete R.; Alves, Luis G.","Cyclam-based Cu(II) and Fe(III) complexes for antifouling coating development.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4108","4118","10.1039/d5dt01700a","","","0.71073","MoKα","","0.0969","0.0633","","","0.154","0.1671","","","","","","1.077","","","","has coordinates","305355","2026-04-05","12:01:14",""
"7720114","9.3597","0.0002","13.3329","0.0003","13.8931","0.0002","106.425","0.002","97.765","0.002","91.828","0.002","1643.26","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H56 Al P S Si4 -","- C22 H56 Al P S Si4 -","- C44 H112 Al2 P2 S2 Si8 -","2","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","1.54184","CuKα","","0.0504","0.048","","","0.1266","0.1282","","","","","","1.137","","","","has coordinates,has disorder","304333","2026-02-12","23:21:00",""
"7720115","16.7077","0.0004","16.489","0.0003","24.1502","0.0004","90","","93.764","0.002","90","","6638.9","0.2","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H56 Al O1.2 P S0.99 Si4 -","- C22 H56 Al O1.199 P S0.985 Si4 -","- C176 H448 Al8 O9.592 P8 S7.88 Si32 -","8","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","1.54184","CuKα","","0.0688","0.0585","","","0.1469","0.1527","","","","","","1.046","","","","has coordinates,has disorder","304333","2026-02-12","23:21:01",""
"7720116","20.4227","0.0005","11.8217","0.0003","27.855","0.0007","90","","92.925","0.002","90","","6716.3","0.3","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H56 Ga O P S2 Si4 -","- C23 H56 Ga O P S2 Si4 -","- C184 H448 Ga8 O8 P8 S16 Si32 -","8","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","0.71073","MoKα","","0.0338","0.0281","","","0.0626","0.0649","","","","","","1.06","","","","has coordinates","304333","2026-02-12","23:21:01",""
"7720117","9.4107","0.0002","13.3305","0.0004","13.9075","0.0004","107.069","0.002","97.76","0.002","90.634","0.002","1650.19","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H56 Ga P S Si4 -","- C22 H56 Ga P S Si4 -","- C44 H112 Ga2 P2 S2 Si8 -","2","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","0.71073","MoKα","","0.0856","0.0626","","","0.1265","0.1396","","","","","","1.115","","","","has coordinates,has disorder","304333","2026-02-12","23:21:01",""
"7720118","11.7399","0.0011","28.1763","0.0017","11.8292","0.0009","90","","118.553","0.01","90","","3437","0.6","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H56 Ga O3 P Si4 -","- C23 H56 Ga O3 P Si4 -","- C92 H224 Ga4 O12 P4 Si16 -","4","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","0.71073","MoKα","","0.0793","0.0587","","","0.1293","0.1413","","","","","","1.027","","","","has coordinates,has disorder","304333","2026-02-12","23:21:01",""
"7720119","14.9783","0.0005","11.9478","0.0005","19.4795","0.0007","90","","101.56","0.003","90","","3415.3","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H56 Ga O3 P S Si4 -","- C22 H56 Ga O3 P S Si4 -","- C88 H224 Ga4 O12 P4 S4 Si16 -","4","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","0.71073","MoKα","","0.0447","0.0322","","","0.0756","0.0816","","","","","","1.026","","","","has coordinates,has disorder","304333","2026-02-12","23:21:01",""
"7720120","12.1936","0.0002","23.2523","0.0003","15.3726","0.0002","90","","107.872","0.001","90","","4148.26","0.1","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H65 Al O2 P S Si4 -","- C32 H65 Al O2 P S Si4 -","- C128 H260 Al4 O8 P4 S4 Si16 -","4","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","1.54184","CuKα","","0.053","0.0468","","","0.1236","0.131","","","","","","1.048","","","","has coordinates,has disorder","304333","2026-02-12","23:21:01",""
"7720121","20.7104","0.0002","11.8829","0.0001","28.2287","0.0003","90","","90.62","0.001","90","","6946.67","0.12","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H56 Ga P S3 Si4 -","- C23 H56 Ga P S3 Si4 -","- C184 H448 Ga8 P8 S24 Si32 -","8","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","0.71073","MoKα","","0.027","0.0254","","","0.0612","0.062","","","","","","1.132","","","","has coordinates","304333","2026-02-12","23:21:01",""
"7720122","11.4899","0.0003","12.8148","0.0004","13.9414","0.0004","97.116","0.002","92.578","0.002","115.83","0.003","1822.14","0.1","100","0.16","100","0.16","","","","","","","","7","P -1","-P 1","2","","","","- C25 H60 Al Br P S Si4 -","- C25 H60 Al Br P S Si4 -","- C50 H120 Al2 Br2 P2 S2 Si8 -","2","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","0.71073","MoKα","","0.0362","0.0279","","","0.0602","0.0635","","","","","","1.0304","","","","has coordinates,has disorder","304333","2026-02-12","23:21:01",""
"7720123","11.7907","0.0001","11.7907","0.0001","47.9511","0.0009","90","","90","","90","","6666.19","0.15","99.99","0.1","99.99","0.1","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C22 H56 Ga O P S Si4 -","- C22 H56 Ga O P S Si4 -","- C176 H448 Ga8 O8 P8 S8 Si32 -","8","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","0.71073","MoKα","","0.0857","0.0831","","","0.1603","0.1615","","","","","","1.283","","","","has coordinates,has disorder","304333","2026-02-12","23:21:01",""
"7720124","12.1972","0.0003","17.209","0.0004","18.041","0.0003","83.294","0.002","86.526","0.002","76.911","0.002","3660.93","0.14","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H62 Al P S2 Si4 -","- C25 H62 Al P S2 Si4 -","- C100 H248 Al4 P4 S8 Si16 -","4","2","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","0.71073","MoKα","","0.0571","0.0377","","","0.0682","0.0764","","","","","","1.0429","","","","has coordinates,has disorder","304333","2026-02-12","23:21:01",""
"7720125","17.2488","0.0006","17.0657","0.0007","23.2928","0.0009","90","","94.614","0.003","90","","6834.3","0.5","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H56 Ga P S2 Si4 -","- C22 H56 Ga P S2 Si4 -","- C176 H448 Ga8 P8 S16 Si32 -","8","2","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","0.71073","MoKα","","0.0767","0.0528","","","0.1044","0.1156","","","","","","1.017","","","","has coordinates,has disorder","304333","2026-02-12","23:21:01",""
"7720126","16.9878","0.0005","11.583","0.0003","17.3586","0.0004","90","","97.744","0.002","90","","3384.5","0.15","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H56 Ga O2 P S2 Si4 -","- C22 H56 Ga O2 P S2 Si4 -","- C88 H224 Ga4 O8 P4 S8 Si16 -","4","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","0.71073","MoKα","","0.0322","0.0232","","","0.0428","0.0462","","","","","","1.0452","","","","has coordinates","304333","2026-02-12","23:21:01",""
"7720127","17.00365","0.00007","11.56562","0.00003","17.31949","0.00006","90","","97.8697","0.0003","90","","3373.93","0.02","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H56 Al O2 P S2 Si4 -","- C22 H56 Al O2 P S2 Si4 -","- C88 H224 Al4 O8 P4 S8 Si16 -","4","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","1.54184","CuKα","","0.0162","0.0161","","","0.036","0.0361","","","","","","1.0071","","","","has coordinates","304333","2026-02-12","23:21:01",""
"7720128","20.7333","0.0001","11.8416","0.0001","28.2218","0.0001","90","","90.657","0.001","90","","6928.43","0.07","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H56 Al P S3 Si4 -","- C23 H56 Al P S3 Si4 -","- C184 H448 Al8 P8 S24 Si32 -","8","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","1.54184","CuKα","","0.0307","0.0305","","","0.0798","0.0801","","","","","","1.0468","","","","has coordinates","304333","2026-02-12","23:21:01",""
"7720129","12.4721","0.0004","14.9085","0.0004","16.3578","0.0004","90","","111.904","0.003","90","","2822","0.15","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Cl2 Co N4 O6 -","- C32 H22 Cl2 Co N4 O6 -","- C128 H88 Cl8 Co4 N16 O24 -","4","0.5","","Torić, Filip; Androš Dubraja, Lidija; Herak, Mirta; Novosel, Nikolina; Petreska, Irina; Molčanov, Krešimir; Žilić, Dijana","Magneto-structural correlations in cobalt(II)-phenanthroline compounds with chloranilic acid.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3840","3852","10.1039/d5dt02533h","","","1.54184","CuKα","","0.0792","0.0703","","","","0.2052","","","","","","1.069","","","","has coordinates","305377","2026-04-05","12:09:39",""
"7720130","12.5057","0.0001","14.7939","0.0001","16.3923","0.0002","90","","111.624","0.001","90","","2819.27","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Cl2 Co N4 O5 -","- C32 H22 Cl2 Co N4 O5 -","- C128 H88 Cl8 Co4 N16 O20 -","4","1","","Torić, Filip; Androš Dubraja, Lidija; Herak, Mirta; Novosel, Nikolina; Petreska, Irina; Molčanov, Krešimir; Žilić, Dijana","Magneto-structural correlations in cobalt(II)-phenanthroline compounds with chloranilic acid.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3840","3852","10.1039/d5dt02533h","","","1.54184","CuKα","","0.0368","0.0352","","","","0.1043","","","","","","1.074","","","","has coordinates","305377","2026-04-05","12:09:39",""
"7720131","12.2252","0.0002","14.9241","0.0003","16.2146","0.0003","90","","111.767","0.002","90","","2747.42","0.1","102","2","102","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H17 Cl2 Co N4 O5 -","- C31 H17 Cl2 Co N4 O5 -","- C124 H68 Cl8 Co4 N16 O20 -","4","0.5","","Torić, Filip; Androš Dubraja, Lidija; Herak, Mirta; Novosel, Nikolina; Petreska, Irina; Molčanov, Krešimir; Žilić, Dijana","Magneto-structural correlations in cobalt(II)-phenanthroline compounds with chloranilic acid.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3840","3852","10.1039/d5dt02533h","","","1.54184","CuKα","","0.0362","0.035","","","","0.0959","","","","","","1.059","","","","has coordinates,has disorder","305377","2026-04-05","12:09:39",""
"7720132","12.3162","0.0001","15.0215","0.0001","16.4187","0.0001","90","","111.838","0.001","90","","2819.61","0.04","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H20 Cl2 Co N4 O5 -","- C30.5 H20 Cl2 Co N4 O5 -","- C122 H80 Cl8 Co4 N16 O20 -","4","0.5","","Torić, Filip; Androš Dubraja, Lidija; Herak, Mirta; Novosel, Nikolina; Petreska, Irina; Molčanov, Krešimir; Žilić, Dijana","Magneto-structural correlations in cobalt(II)-phenanthroline compounds with chloranilic acid.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3840","3852","10.1039/d5dt02533h","","","1.54184","CuKα","","0.0325","0.0319","","","","0.0905","","","","","","1.085","","","","has coordinates,has disorder","305377","2026-04-05","12:09:39",""
"7720133","12.3226","0.0003","15.5674","0.0003","16.4143","0.0003","90","","111.865","0.002","90","","2922.26","0.11","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Cl2 Co N4 O6 -","- C32 H20 Cl2 Co N4 O6 -","- C128 H80 Cl8 Co4 N16 O24 -","4","0.5","","Torić, Filip; Androš Dubraja, Lidija; Herak, Mirta; Novosel, Nikolina; Petreska, Irina; Molčanov, Krešimir; Žilić, Dijana","Magneto-structural correlations in cobalt(II)-phenanthroline compounds with chloranilic acid.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3840","3852","10.1039/d5dt02533h","","","1.54184","CuKα","","0.0511","0.0487","","","","0.1588","","","","","","1.056","","","","has coordinates,has disorder","305377","2026-04-05","12:09:39",""
"7720134","12.3227","0.0002","15.5712","0.0002","16.4092","0.0002","90","","111.845","0.002","90","","2922.5","0.08","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Cl2 Co N4 O5 -","- C32 H22 Cl2 Co N4 O5 -","- C128 H88 Cl8 Co4 N16 O20 -","4","0.5","","Torić, Filip; Androš Dubraja, Lidija; Herak, Mirta; Novosel, Nikolina; Petreska, Irina; Molčanov, Krešimir; Žilić, Dijana","Magneto-structural correlations in cobalt(II)-phenanthroline compounds with chloranilic acid.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3840","3852","10.1039/d5dt02533h","","","1.54184","CuKα","","0.0453","0.0417","","","","0.1253","","","","","","1.022","","","","has coordinates,has disorder","305377","2026-04-05","12:09:39",""
"7720135","17.337","0.002","17.337","0.002","18.389","0.004","90","","90","","120","","4786.7","1.3","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H33 Bi N3 O9 -","- C33 H33 Bi N3 O9 -","- C198 H198 Bi6 N18 O54 -","6","0.333333","","Yang, Ai; Cao, Hong; Lyu, Jie; Ding, Wenbing; Liao, Jiali; Yang, Yuanyou; Liu, Ning; Li, Feize","A bismuth-based metal-organic framework with potential application in organic pollutant removal.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4288","4297","10.1039/d5dt03050a","","","0.71073","MoKα","","0.0797","0.0452","","","0.0991","0.1183","","","","","","1.077","","","","has coordinates,has disorder","305363","2026-04-05","12:03:39",""
"7720136","17.68875","0.00019","17.4738","0.0002","26.8601","0.0003","90","","90","","90","","8302.18","0.16","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H35 Ag6 F9 N2 O6 -","- C34 H35 Ag6 F9 N2 O6 -","- C272 H280 Ag48 F72 N16 O48 -","8","1","","Han, Jing; Hou, Yue; Yu, Zhong; Chen, Yi-Xuan; Xue, Jian-Fei; Zhang, Yue-Juan; Gao, Lei; Wan, Yi","Infection microenvironment-responsive composites based on a Ag(I) complex for targeted antimicrobial treatment.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3323","3335","10.1039/d5dt02724a","","","1.54184","CuKα","","0.1167","0.1115","","","0.2448","0.2473","","","","","","1.192","","","","has coordinates,has disorder","304911","2026-03-05","12:49:51",""
"7720137","20.964","0.01","18.802","0.008","7.305","0.004","90","","91.246","0.011","90","","2879","2","180","","180","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C47.4 H68.8 N14 O17.6 -","- C37 H48 N14 O15 -","- C74 H96 N28 O30 -","2","0.25","","Sun, Zhiwen; Wang, Ji; Nie, Qingling; Li, Na; Liu, Zhihua; Yang, Xiao-Juan; Zhao, Wei; Wu, Biao","Bicarbonate anion coordination assisted CO<sub>2</sub> capture by using urea-morpholine hybrid receptors in water.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3703","3708","10.1039/d5dt03056k","","","0.71073","MoKα","","0.1208","0.0841","","","0.202","0.2274","","","","","","1.037","","","","has coordinates,has disorder","304927","2026-03-05","12:57:15",""
"7720138","5.5769","0.0013","9.0107","0.0018","17.242","0.004","84.098","0.006","89.986","0.007","87.342","0.007","860.9","0.3","180","","180","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H28 N6 O4 -","- C14 H28 N6 O4 -","- C28 H56 N12 O8 -","2","1","","Sun, Zhiwen; Wang, Ji; Nie, Qingling; Li, Na; Liu, Zhihua; Yang, Xiao-Juan; Zhao, Wei; Wu, Biao","Bicarbonate anion coordination assisted CO<sub>2</sub> capture by using urea-morpholine hybrid receptors in water.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3703","3708","10.1039/d5dt03056k","","","0.71073","MoKα","","0.1311","0.0568","","","0.1192","0.1434","","","","","","0.995","","","","has coordinates","304927","2026-03-05","12:57:15",""
"7720139","33.884","0.005","7.6616","0.001","20.711","0.003","90","","121.71","0.004","90","","4574.1","1.1","180","","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H50 N14 O18 -","- C38 H50 N14 O18 -","- C152 H200 N56 O72 -","4","0.5","","Sun, Zhiwen; Wang, Ji; Nie, Qingling; Li, Na; Liu, Zhihua; Yang, Xiao-Juan; Zhao, Wei; Wu, Biao","Bicarbonate anion coordination assisted CO<sub>2</sub> capture by using urea-morpholine hybrid receptors in water.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3703","3708","10.1039/d5dt03056k","","","0.71073","MoKα","","0.1091","0.0722","","","0.1691","0.1959","","","","","","1.043","","","","has coordinates,has disorder","304927","2026-03-05","12:57:15",""
"7720140","21.455","0.007","5.2126","0.0019","21.007","0.008","90","","104.83","0.01","90","","2271.1","1.4","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 N3 O4 S -","- C9 H12 N3 O4 S -","- C72 H96 N24 O32 S8 -","8","1","","Sun, Zhiwen; Wang, Ji; Nie, Qingling; Li, Na; Liu, Zhihua; Yang, Xiao-Juan; Zhao, Wei; Wu, Biao","Bicarbonate anion coordination assisted CO<sub>2</sub> capture by using urea-morpholine hybrid receptors in water.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3703","3708","10.1039/d5dt03056k","","","0.71073","MoKα","","0.1726","0.0655","","","0.1291","0.1618","","","","","","0.984","","","","has coordinates","304927","2026-03-05","12:57:15",""
"7720141","10.0998","0.0002","16.9706","0.0004","11.3101","0.0003","90","","95.853","0.002","90","","1928.44","0.08","200","0.1","200","0.1","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C37 H39 B Cl2 N7 O2 P W -","- C37 H39 B Cl2 N7 O2 P W -","- C74 H78 B2 Cl4 N14 O4 P2 W2 -","2","1","","Foglia, Lucas G.; Kirk, Ryan M.; Hill, Anthony F.","Two approaches to phosphaniminocarbyne complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4057","4061","10.1039/d6dt00303f","","x-ray","1.54184","CuKα","","0.0678","0.0595","","","0.1483","0.1579","","","","","","1.042","","","","has coordinates","305360","2026-04-05","12:01:47",""
"7720142","9.5122","0.0004","11.852","0.0004","8.2378","0.0003","90","","99.47","0.002","90","","916.06","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- K2 Mo O10 S2 -","- K2 Mo O10 S2 -","- K8 Mo4 O40 S8 -","4","1","","Wessels, Vivien; Baldauf, Jasper Arne; Pöttgen, Rainer; Höppe, Henning A","Stratified sulfatometallates: unlocking a new dimension in sulfatomolybdates.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3723","3732","10.1039/d5dt03061g","","","0.71073","MoKα","","0.0387","0.0276","","","0.0634","0.0683","","","","","","1.104","","","","has coordinates","304923","2026-03-05","12:55:56",""
"7720143","12.6264","0.0007","7.8092","0.0005","16.715","0.0011","90","","90","","90","","1648.13","0.18","373","2","373","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Mo Na2 O10 S2 -","- Mo Na1.925 O10 S2 -","- Mo8 Na15.4 O80 S16 -","8","1","","Wessels, Vivien; Baldauf, Jasper Arne; Pöttgen, Rainer; Höppe, Henning A","Stratified sulfatometallates: unlocking a new dimension in sulfatomolybdates.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3723","3732","10.1039/d5dt03061g","","","0.71073","MoKα","","0.0464","0.0387","","","0.0916","0.0982","","","","","","1.133","","","","has coordinates","304923","2026-03-05","12:55:56",""
"7720144","12.6106","0.0002","16.6905","0.0003","7.8176","0.0004","90","","90.076","0.001","90","","1645.43","0.09","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Mo Na2 O10 S2 -","- Mo Na2.00545 O10 S2 -","- Mo8 Na16.0436 O80 S16 -","8","2","","Wessels, Vivien; Baldauf, Jasper Arne; Pöttgen, Rainer; Höppe, Henning A","Stratified sulfatometallates: unlocking a new dimension in sulfatomolybdates.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3723","3732","10.1039/d5dt03061g","","x-ray","0.71073","MoKα","","0.1335","0.0771","","","0.138","0.169","","","","2.1473","2.1473","1.8436","","","","has coordinates","304923","2026-03-05","12:55:56",""
"7720145","16.3277","0.0011","17.4691","0.001","25.4513","0.0018","90","","107.328","0.002","90","","6930","0.8","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57.1 H94.4 Al2 K2 N8 Si4 -","- C48 H84 Al2 K2 N8 Si4 -","- C192 H336 Al8 K8 N32 Si16 -","4","0.5","","Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata","The behavior of potassium follows that of calcium in heterobimetallic 'K-H-Al' hydrides on a picolyl-derived chemically non-innocent triaza ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3934","3942","10.1039/d6dt00079g","","","0.71073","MoKα","","0.0488","0.0413","","","0.1191","0.1267","","","","","","1.055","","","","has coordinates","304920","2026-03-05","12:55:00",""
"7720146","11.0463","0.0007","11.957","0.0007","14.8732","0.0008","111.533","0.002","99.527","0.002","96.346","0.002","1770.46","0.18","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H114 Al2 K2 N8 Si4 -","- C60 H114 Al2 K2 N8 Si4 -","- C60 H114 Al2 K2 N8 Si4 -","1","0.5","","Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata","The behavior of potassium follows that of calcium in heterobimetallic 'K-H-Al' hydrides on a picolyl-derived chemically non-innocent triaza ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3934","3942","10.1039/d6dt00079g","","","0.71073","MoKα","","0.051","0.0491","","","0.1301","0.1322","","","","","","1.083","","","","has coordinates","304920","2026-03-05","12:55:00",""
"7720147","19.076","0.001","19.076","0.001","20.9168","0.0013","90","","90","","90","","7611.5","0.7","100","2","100","","","","","","","","","6","I -4","I -4","82","","","","- C120 H220 Al4 K4 N16 Si8 -","- C120 H220 Al4 K4 N16 Si8 -","- C240 H440 Al8 K8 N32 Si16 -","2","0.25","","Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata","The behavior of potassium follows that of calcium in heterobimetallic 'K-H-Al' hydrides on a picolyl-derived chemically non-innocent triaza ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3934","3942","10.1039/d6dt00079g","","","0.71073","MoKα","","0.0829","0.0522","","","0.1239","0.1408","","","","","","0.991","","","","has coordinates","304920","2026-03-05","12:55:00",""
"7720148","25.9955","0.0003","6.5239","0.0001","20.5807","0.0002","90","","99.349","0.001","90","","3443.96","0.07","100","2","100.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C18 H26 Al N3 -","- C18 H26 Al N3 -","- C144 H208 Al8 N24 -","8","1","","Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata","The behavior of potassium follows that of calcium in heterobimetallic 'K-H-Al' hydrides on a picolyl-derived chemically non-innocent triaza ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3934","3942","10.1039/d6dt00079g","","","1.54184","CuKα","","0.0359","0.0353","","","0.0914","0.0917","","","","","","1.096","","","","has coordinates","304920","2026-03-05","12:55:00",""
"7720149","16.8615","0.0002","10.6144","0.0001","19.4612","0.0003","90","","104.688","0.001","90","","3369.24","0.07","101","2","101.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H50 Al Li N6 -","- C36 H50 Al Li N6 -","- C144 H200 Al4 Li4 N24 -","4","0.5","","Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata","The behavior of potassium follows that of calcium in heterobimetallic 'K-H-Al' hydrides on a picolyl-derived chemically non-innocent triaza ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3934","3942","10.1039/d6dt00079g","","","1.54184","CuKα","","0.0479","0.0455","","","0.116","0.1181","","","","","","1.071","","","","has coordinates","304920","2026-03-05","12:55:00",""
"7720150","19.8485","0.0001","13.6232","0.0001","14.216","0.0001","90","","104.661","0.001","90","","3718.85","0.05","100","0.1","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H56 Al K N4 Si2 -","- C34 H56 Al K N4 Si2 -","- C136 H224 Al4 K4 N16 Si8 -","4","1","","Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata","The behavior of potassium follows that of calcium in heterobimetallic 'K-H-Al' hydrides on a picolyl-derived chemically non-innocent triaza ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3934","3942","10.1039/d6dt00079g","","","1.54184","CuKα","","0.042","0.0411","","","0.111","0.1116","","","","","","1.079","","","","has coordinates,has disorder","304920","2026-03-05","12:55:00",""
"7720151","28.8599","0.0001","28.8599","0.0001","14.5034","0.0001","90","","90","","90","","12079.8","0.1","100.03","0.19","100.15","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C48 H88 Al2 K2 N8 Si4 -","- C48 H88 Al2 K2 N8 Si4 -","- C384 H704 Al16 K16 N64 Si32 -","8","1","","Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata","The behavior of potassium follows that of calcium in heterobimetallic 'K-H-Al' hydrides on a picolyl-derived chemically non-innocent triaza ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3934","3942","10.1039/d6dt00079g","","","1.54184","CuKα","","0.0559","0.0492","","","0.1313","0.1364","","","","","","1.057","","","","has coordinates,has disorder","304920","2026-03-05","12:55:00",""
"7720152","7.7038","0.0005","8.3595","0.0005","12.6218","0.0008","90","","98.133","0.003","90","","804.67","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Br6 N4 Tc -","- C6 H10 Br6 N4 Tc -","- C12 H20 Br12 N8 Tc2 -","2","0.5","","Novikov, Anton P.; Volkov, Mikhail A.; Grigoriev, Mikhail S.","Crystallographic insights into (ImHR)<sub>2</sub>[TcBr<sub>6</sub>] (Im = imidazole, R = H, Me, Et): non-covalent interactions and mass spectrometry.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3990","3999","10.1039/d5dt03046c","","","0.71073","MoKα","","0.0369","0.0267","","","0.0554","0.0585","","","","","","1.042","","","","has coordinates","304928","2026-03-05","12:57:34",""
"7720153","7.8599","0.0006","16.0412","0.0013","7.2519","0.0006","90","","90","","90","","914.34","0.13","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H14 Br6 N4 Tc -","- C8 H14 Br6 N4 Tc -","- C16 H28 Br12 N8 Tc2 -","2","0.5","","Novikov, Anton P.; Volkov, Mikhail A.; Grigoriev, Mikhail S.","Crystallographic insights into (ImHR)<sub>2</sub>[TcBr<sub>6</sub>] (Im = imidazole, R = H, Me, Et): non-covalent interactions and mass spectrometry.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3990","3999","10.1039/d5dt03046c","","","0.71073","MoKα","","0.0471","0.0359","","","0.0773","0.0809","","","","","","1.05","","","","has coordinates","304928","2026-03-05","12:57:35",""
"7720154","7.9083","0.0019","13.088","0.004","10.176","0.002","90","","107.329","0.008","90","","1005.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Br6 N4 Tc -","- C10 H18 Br6 N4 Tc -","- C20 H36 Br12 N8 Tc2 -","2","0.5","","Novikov, Anton P.; Volkov, Mikhail A.; Grigoriev, Mikhail S.","Crystallographic insights into (ImHR)<sub>2</sub>[TcBr<sub>6</sub>] (Im = imidazole, R = H, Me, Et): non-covalent interactions and mass spectrometry.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3990","3999","10.1039/d5dt03046c","","","0.71073","MoKα","","0.0726","0.0347","","","0.0577","0.0668","","","","","","1.012","","","","has coordinates","304928","2026-03-05","12:57:35",""
"7720155","7.7095","0.0008","7.9065","0.0008","8.0783","0.0008","79.107","0.005","86.065","0.005","66.969","0.005","444.99","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H7 Br3 N2 Tc0.5 -","- C4 H7 Br3 N2 Tc0.5 -","- C8 H14 Br6 N4 Tc -","2","1","","Novikov, Anton P.; Volkov, Mikhail A.; Grigoriev, Mikhail S.","Crystallographic insights into (ImHR)<sub>2</sub>[TcBr<sub>6</sub>] (Im = imidazole, R = H, Me, Et): non-covalent interactions and mass spectrometry.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3990","3999","10.1039/d5dt03046c","","","0.71073","MoKα","","0.0368","0.0282","","","0.0679","0.0705","","","","","","1.041","","","","has coordinates","304928","2026-03-05","12:57:35",""
"7720156","9.6752","0.0002","10.7882","0.0002","14.0437","0.0003","108.002","0.002","106.685","0.002","99.913","0.002","1279.47","0.05","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H29 Cl2 Co N5 O2 -","- C27 H29 Cl2 Co N5 O2 -","- C54 H58 Cl4 Co2 N10 O4 -","2","1","","Malinová, Nikoleta; Pavlik, Ján; Kotrle, Kamil; Nemec, Ivan; Dubaj, Tibor; Brachňaková, Barbora; Ruben, Mario; Šalitroš, Ivan","Unveiling field-induced single-ion magnetism in pentacoordinate and heptacoordinate cobalt(II), dysprosium(III) and terbium(III) complexes with a tridentate bis(benzimidazole)pyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3975","3989","10.1039/d5dt02849c","","x-ray","1.54184","CuKα","","0.0279","0.0273","","","0.0685","0.0688","","","","","","1.022","","","","has coordinates,has disorder","304919","2026-03-05","12:54:34",""
"7720157","17.3533","0.00008","9.42593","0.00005","16.64539","0.00008","90","","93.5465","0.0004","90","","2717.49","0.02","100","0.16","100","0.16","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C27 H29 Co N7 O8 -","- C27 H29 Co N7 O8 -","- C108 H116 Co4 N28 O32 -","4","1","","Malinová, Nikoleta; Pavlik, Ján; Kotrle, Kamil; Nemec, Ivan; Dubaj, Tibor; Brachňaková, Barbora; Ruben, Mario; Šalitroš, Ivan","Unveiling field-induced single-ion magnetism in pentacoordinate and heptacoordinate cobalt(II), dysprosium(III) and terbium(III) complexes with a tridentate bis(benzimidazole)pyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3975","3989","10.1039/d5dt02849c","","x-ray","1.54184","CuKα","","0.0295","0.0286","","","0.0746","0.0752","","","","","","1.041","","","","has coordinates","304919","2026-03-05","12:54:35",""
"7720158","10.0187","0.0006","10.3728","0.0005","14.5974","0.0008","84.316","0.004","72.513","0.005","75.452","0.004","1400.04","0.14","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Cl3 Dy N5 O3 -","- C27 H30 Cl3 Dy N5 O3 -","- C54 H60 Cl6 Dy2 N10 O6 -","2","1","","Malinová, Nikoleta; Pavlik, Ján; Kotrle, Kamil; Nemec, Ivan; Dubaj, Tibor; Brachňaková, Barbora; Ruben, Mario; Šalitroš, Ivan","Unveiling field-induced single-ion magnetism in pentacoordinate and heptacoordinate cobalt(II), dysprosium(III) and terbium(III) complexes with a tridentate bis(benzimidazole)pyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3975","3989","10.1039/d5dt02849c","","x-ray","0.71073","MoKα","","0.0642","0.0532","","","0.1229","0.1295","","","","","","1.014","","","","has coordinates","304919","2026-03-05","12:54:35",""
"7720159","9.9786","0.0001","10.9336","0.0001","13.9927","0.0002","108.807","0.001","103.928","0.001","103.593","0.001","1318.94","0.03","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H29 Br2 Co N5 O2 -","- C27 H29 Br2 Co N5 O2 -","- C54 H58 Br4 Co2 N10 O4 -","2","1","","Malinová, Nikoleta; Pavlik, Ján; Kotrle, Kamil; Nemec, Ivan; Dubaj, Tibor; Brachňaková, Barbora; Ruben, Mario; Šalitroš, Ivan","Unveiling field-induced single-ion magnetism in pentacoordinate and heptacoordinate cobalt(II), dysprosium(III) and terbium(III) complexes with a tridentate bis(benzimidazole)pyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3975","3989","10.1039/d5dt02849c","","","1.54184","CuKα","","0.0295","0.0288","","","0.0775","0.0779","","","","","","1.027","","","","has coordinates","304919","2026-03-05","12:54:35",""
"7720160","10.0638","0.0006","10.3747","0.0005","14.6603","0.0008","84.715","0.004","72.647","0.005","75.763","0.005","1415.83","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H31 Cl3 N5 O3 Tb -","- C27 H31 Cl3 N5 O3 Tb -","- C54 H62 Cl6 N10 O6 Tb2 -","2","1","","Malinová, Nikoleta; Pavlik, Ján; Kotrle, Kamil; Nemec, Ivan; Dubaj, Tibor; Brachňaková, Barbora; Ruben, Mario; Šalitroš, Ivan","Unveiling field-induced single-ion magnetism in pentacoordinate and heptacoordinate cobalt(II), dysprosium(III) and terbium(III) complexes with a tridentate bis(benzimidazole)pyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3975","3989","10.1039/d5dt02849c","","x-ray","0.71073","MoKα","","0.0399","0.0386","","","0.095","0.096","","","","","","1.063","","","","has coordinates","304919","2026-03-05","12:54:35",""
"7720161","8.0498","0.0005","9.2749","0.0005","10.7779","0.0008","72.752","0.006","68.422","0.006","87.908","0.005","712.26","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 Bi Mn N5 S5 -","- C5 Bi Mn N5 S5 -","- C10 Bi2 Mn2 N10 S10 -","2","1","","Rich, David; Rai, Khusbu; Upreti, Dinesh; Hu, Jin; Wang, Fei; Wang, Jian","Synthesis, crystal growth, and optical and magnetic properties of three bimetallic thiocyanates TBi(SCN)<sub>5</sub> (T = Mn, Cd) and FeBi(SCN)<sub>6</sub>.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3909","3916","10.1039/d5dt02869h","","x-ray","0.71073","MoKα","","0.0556","0.0355","","","0.0579","0.0621","","","","","","1.005","","","","has coordinates","304921","2026-03-05","12:55:11",""
"7720162","8.1528","0.0005","9.4088","0.0007","10.9513","0.0008","73.312","0.006","67.963","0.006","87.879","0.006","743.51","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 Bi Cd N5 S5 -","- C5 Bi Cd N5 S5 -","- C10 Bi2 Cd2 N10 S10 -","2","1","","Rich, David; Rai, Khusbu; Upreti, Dinesh; Hu, Jin; Wang, Fei; Wang, Jian","Synthesis, crystal growth, and optical and magnetic properties of three bimetallic thiocyanates TBi(SCN)<sub>5</sub> (T = Mn, Cd) and FeBi(SCN)<sub>6</sub>.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3909","3916","10.1039/d5dt02869h","","x-ray","0.71073","MoKα","","0.0771","0.0456","","","0.0816","0.0894","","","","","","1.04","","","","has coordinates","304921","2026-03-05","12:55:11",""
"7720163","11.1604","0.0004","10.953","0.0003","24.039","0.0007","90","","93.217","0.003","90","","2933.89","0.16","298","","298","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H12 N6 O -","- C17 H12 N6 O -","- C136 H96 N48 O8 -","8","2","","Navitha, S.; Wilfred Raj, A. S. W.; Sree Brindha, S.; Ravi, M.; Dallemer, F.; Prabusankar, G.; Prabhakaran, R.","Cytotoxic effect of ruthenium-arene complexes containing tetrazolo[1,5-<i>a</i>] quinoline derivatives on cervical (HeLa), lung (A549), and colon (HCT116) cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3943","3966","10.1039/d5dt02830b","","x-ray","1.54184","CuKα","","0.1093","0.0958","","","0.2451","0.2614","","","","","","1.052","","","","has coordinates","304925","2026-03-05","12:56:36",""
"7720164","12.368","0.001","9.5721","0.0007","27.193","0.003","90","","95.157","0.008","90","","3206.3","0.5","298","","298","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H31 N12 O2 -","- C36 H31 N12 O2 -","- C144 H124 N48 O8 -","4","1","","Navitha, S.; Wilfred Raj, A. S. W.; Sree Brindha, S.; Ravi, M.; Dallemer, F.; Prabusankar, G.; Prabhakaran, R.","Cytotoxic effect of ruthenium-arene complexes containing tetrazolo[1,5-<i>a</i>] quinoline derivatives on cervical (HeLa), lung (A549), and colon (HCT116) cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3943","3966","10.1039/d5dt02830b","","x-ray","0.71073","MoKα","","0.1178","0.0927","","","0.2298","0.2641","","","","","","1.075","","","","has coordinates","304925","2026-03-05","12:56:40",""
"7720165","15.4757","0.0003","7.25309","0.00017","14.7604","0.0003","90","","99.521","0.002","90","","1633.98","0.06","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N6 O -","- C18 H14 N6 O -","- C72 H56 N24 O4 -","4","1","","Navitha, S.; Wilfred Raj, A. S. W.; Sree Brindha, S.; Ravi, M.; Dallemer, F.; Prabusankar, G.; Prabhakaran, R.","Cytotoxic effect of ruthenium-arene complexes containing tetrazolo[1,5-<i>a</i>] quinoline derivatives on cervical (HeLa), lung (A549), and colon (HCT116) cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3943","3966","10.1039/d5dt02830b","","x-ray","1.54184","CuKα","","0.0419","0.0386","","","0.1137","0.1184","","","","","","1.035","","","","has coordinates","304925","2026-03-05","12:56:41",""
"7720166","15.677","0.006","12.279","0.004","18.058","0.006","90","","110.978","0.011","90","","3246","2","298","","298","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Ru6AQHS","","- C30 H31 Cl F6 N7 O P Ru -","- C28 H28 Cl F6 N6 O P Ru -","- C112 H112 Cl4 F24 N24 O4 P4 Ru4 -","4","1","","Navitha, S.; Wilfred Raj, A. S. W.; Sree Brindha, S.; Ravi, M.; Dallemer, F.; Prabusankar, G.; Prabhakaran, R.","Cytotoxic effect of ruthenium-arene complexes containing tetrazolo[1,5-<i>a</i>] quinoline derivatives on cervical (HeLa), lung (A549), and colon (HCT116) cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3943","3966","10.1039/d5dt02830b","","","0.71073","MoKα","","0.0684","0.0398","","","0.0928","0.1036","","","","","","1.047","","","","has coordinates,has disorder","304925","2026-03-05","12:56:41",""
"7720167","13.9012","0.0005","14.0666","0.0005","16.3814","0.0007","73.373","0.004","81.873","0.004","72.862","0.003","2927.3","0.2","298","","298","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H52 Cl2 F12 N12 O2 P2 Ru2 -","- C54 H52 Cl2 F12 N12 O2 P2 Ru2 -","- C108 H104 Cl4 F24 N24 O4 P4 Ru4 -","2","1","","Navitha, S.; Wilfred Raj, A. S. W.; Sree Brindha, S.; Ravi, M.; Dallemer, F.; Prabusankar, G.; Prabhakaran, R.","Cytotoxic effect of ruthenium-arene complexes containing tetrazolo[1,5-<i>a</i>] quinoline derivatives on cervical (HeLa), lung (A549), and colon (HCT116) cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3943","3966","10.1039/d5dt02830b","","x-ray","1.54184","CuKα","","0.093","0.054","","","0.123","0.1527","","","","","","1.059","","","","has coordinates,has disorder","304925","2026-03-05","12:56:41",""
"7720168","15.1423","0.0007","12.4364","0.0004","18.4876","0.0007","90","","109.515","0.004","90","","3281.5","0.2","293","","293","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Cl F6 N7 O P Ru -","- C30 H31 Cl F6 N7 O P Ru -","- C120 H124 Cl4 F24 N28 O4 P4 Ru4 -","4","1","","Navitha, S.; Wilfred Raj, A. S. W.; Sree Brindha, S.; Ravi, M.; Dallemer, F.; Prabusankar, G.; Prabhakaran, R.","Cytotoxic effect of ruthenium-arene complexes containing tetrazolo[1,5-<i>a</i>] quinoline derivatives on cervical (HeLa), lung (A549), and colon (HCT116) cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3943","3966","10.1039/d5dt02830b","","x-ray","0.71073","MoKα","","0.0958","0.064","","","0.1598","0.1796","","","","","","1.058","","","","has coordinates,has disorder","304925","2026-03-05","12:56:41",""
"7720169","15.2446","0.0003","12.5987","0.0002","17.8877","0.0003","90","","104.363","0.002","90","","3328.17","0.11","295","","295","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Cl F6 N7 O P Ru -","- C30 H31 Cl F6 N7 O P Ru -","- C120 H124 Cl4 F24 N28 O4 P4 Ru4 -","4","1","","Navitha, S.; Wilfred Raj, A. S. W.; Sree Brindha, S.; Ravi, M.; Dallemer, F.; Prabusankar, G.; Prabhakaran, R.","Cytotoxic effect of ruthenium-arene complexes containing tetrazolo[1,5-<i>a</i>] quinoline derivatives on cervical (HeLa), lung (A549), and colon (HCT116) cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3943","3966","10.1039/d5dt02830b","","x-ray","0.71073","MoKα","","0.0692","0.0436","","","0.091","0.1051","","","","","","1.045","","","","has coordinates,has disorder","304925","2026-03-05","12:56:41",""
"7720170","14.363","0.003","16.665","0.004","30.03","0.007","90","","91.896","0.004","90","","7184","3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H51 Cu N3 O -","- C41.5 H51 Cu N3 O -","- C332 H408 Cu8 N24 O8 -","8","2","","Chakraborty, Soumi; Mao, Erqian; Gray, Thomas G.; Teets, Thomas S.","Luminescent N-heterocyclic carbene Cu(I) complexes with N^O chelating ligands exhibit microsecond lifetimes and photocatalytic activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2908","2918","10.1039/d5dt02991k","","","0.71073","MoKα","","0.06","0.0468","","","0.1228","0.1306","","","","","","1.036","","","","has coordinates","304485","2026-02-18","00:06:54",""
"7720171","10.437","0.003","15.572","0.005","21.915","0.007","90","","102.75","0.004","90","","3473.9","1.9","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cu N3 O -","- C40 H44 Cu N3 O -","- C160 H176 Cu4 N12 O4 -","4","1","","Chakraborty, Soumi; Mao, Erqian; Gray, Thomas G.; Teets, Thomas S.","Luminescent N-heterocyclic carbene Cu(I) complexes with N^O chelating ligands exhibit microsecond lifetimes and photocatalytic activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2908","2918","10.1039/d5dt02991k","","","0.71073","MoKα","","0.0587","0.04","","","0.0901","0.0987","","","","","","1.036","","","","has coordinates","304485","2026-02-18","00:06:54",""
"7720172","14.9664","0.0005","12.5079","0.0004","12.8946","0.0006","90","","112.313","0.002","90","","2233.11","0.15","180","2","180","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C13 H20 F6 O10 Ru2 -","- C13 H20 F6 O10 Ru2 -","- C52 H80 F24 O40 Ru8 -","4","0.5","","Huang, Wen-Hui; Liang, Qian-Qian; Shi, Zi-Chen; Yang, Jian-Hui; Liu, Bin","A step-by-step structural transformation of the Ru-Ru bonding unit from a paddle-wheel to edge-sharing bi-octahedra configuration.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3011","3018","10.1039/d5dt02334c","","","0.71073","MoKα","","0.0967","0.0457","","","0.1054","0.1294","","","","","","1.09","","","","has coordinates","304486","2026-02-18","00:07:35",""
"7720173","14.2457","0.0009","9.0514","0.0005","18.7279","0.0011","90","","94.729","0.002","90","","2406.6","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F12 O10 Ru2 -","- C16 H14 F12 O10 Ru2 -","- C64 H56 F48 O40 Ru8 -","4","1","","Huang, Wen-Hui; Liang, Qian-Qian; Shi, Zi-Chen; Yang, Jian-Hui; Liu, Bin","A step-by-step structural transformation of the Ru-Ru bonding unit from a paddle-wheel to edge-sharing bi-octahedra configuration.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3011","3018","10.1039/d5dt02334c","","","1.34139","GaKα","","0.0789","0.0667","","","0.1601","0.1683","","","","","","0.906","","","","has coordinates","304486","2026-02-18","00:07:36",""
"7720174","8.408","0.019","17.66","0.04","8.367","0.019","90","","99.14","0.1","90","","1227","5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 F6 O10 Ru2 -","- C18 H18 F6 O10 Ru2 -","- C36 H36 F12 O20 Ru4 -","2","0.5","","Huang, Wen-Hui; Liang, Qian-Qian; Shi, Zi-Chen; Yang, Jian-Hui; Liu, Bin","A step-by-step structural transformation of the Ru-Ru bonding unit from a paddle-wheel to edge-sharing bi-octahedra configuration.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3011","3018","10.1039/d5dt02334c","","","1.34138","GaKα","","0.106","0.0817","","","0.1943","0.2071","","","","","","1.015","","","","has coordinates","304486","2026-02-18","00:07:36",""
"7720175","8.2762","0.0005","10.0303","0.0006","10.1906","0.0006","75.829","0.003","79.539","0.003","74.383","0.003","783.84","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cl2 F6 O10 Ru2 -","- C28 H26 Cl2 F6 O10 Ru2 -","- C28 H26 Cl2 F6 O10 Ru2 -","1","0.5","","Huang, Wen-Hui; Liang, Qian-Qian; Shi, Zi-Chen; Yang, Jian-Hui; Liu, Bin","A step-by-step structural transformation of the Ru-Ru bonding unit from a paddle-wheel to edge-sharing bi-octahedra configuration.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3011","3018","10.1039/d5dt02334c","","","1.34139","GaKα","","0.0748","0.0544","","","0.1289","0.1401","","","","","","1.109","","","","has coordinates","304486","2026-02-18","00:07:36",""
"7720176","7.9104","0.0007","17.5278","0.0015","17.9103","0.0017","90","","90.068","0.005","90","","2483.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 F6 O10 Ru2 -","- C18 H21 F6 O10 Ru2 -","- C72 H84 F24 O40 Ru8 -","4","1","","Huang, Wen-Hui; Liang, Qian-Qian; Shi, Zi-Chen; Yang, Jian-Hui; Liu, Bin","A step-by-step structural transformation of the Ru-Ru bonding unit from a paddle-wheel to edge-sharing bi-octahedra configuration.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3011","3018","10.1039/d5dt02334c","","","1.34139","GaKα","","0.1154","0.0529","","","0.1105","0.1308","","","","","","1.041","","","","has coordinates","304486","2026-02-18","00:07:36",""
"7720177","9.6208","0.0004","11.5287","0.0005","15.1896","0.0006","88.524","0.002","84.275","0.002","80.366","0.002","1652.64","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cl2 F6 O10 Ru2 -","- C28 H26 Cl2.002 F6 O10 Ru2 -","- C56 H52 Cl4.004 F12 O20 Ru4 -","2","1","","Huang, Wen-Hui; Liang, Qian-Qian; Shi, Zi-Chen; Yang, Jian-Hui; Liu, Bin","A step-by-step structural transformation of the Ru-Ru bonding unit from a paddle-wheel to edge-sharing bi-octahedra configuration.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3011","3018","10.1039/d5dt02334c","","","1.34139","GaKα","","0.0559","0.0368","","","0.0776","0.0851","","","","","","1.037","","","","has coordinates,has disorder","304486","2026-02-18","00:07:36",""
"7720178","6.6071","0.0004","7.9107","0.0005","10.3623","0.0006","110.66","0.003","97.406","0.003","90.598","0.003","501.63","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H13 N5 O4 -","- C7 H13 N5 O4 -","- C14 H26 N10 O8 -","2","1","","Polo, Alvaro; García-Orduña, Pilar; Echeverría, Jorge; Sanz Miguel, Pablo J.","Unveiling n → π* interactions: convergence of quantum crystallography and computational insights.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2825","2832","10.1039/d5dt02386f","","","0.71073","MoKα","","0.0425","0.0375","","","0.1031","0.1074","","","","","","1.061","","","","has coordinates","304487","2026-02-18","00:08:23",""
"7720179","6.5053","0.0003","7.8928","0.0004","9.8692","0.0005","68.6656","0.0014","77.5428","0.0014","87.0433","0.0015","460.7","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H13 Cl N4 O -","- C7 H13 Cl N4 O -","- C14 H26 Cl2 N8 O2 -","2","1","","Polo, Alvaro; García-Orduña, Pilar; Echeverría, Jorge; Sanz Miguel, Pablo J.","Unveiling n → π* interactions: convergence of quantum crystallography and computational insights.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2825","2832","10.1039/d5dt02386f","","","0.71073","MoKα","","0.0276","0.0274","","","0.0691","0.0693","","","","","","1.086","","","","has coordinates","304487","2026-02-18","00:08:24",""
"7720180","11.7204","0.0008","8.8224","0.0006","10.381","0.0007","90","","90.9287","0.0009","90","","1073.28","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N5 O4 -","- C8 H11 N5 O4 -","- C32 H44 N20 O16 -","4","1","","Polo, Alvaro; García-Orduña, Pilar; Echeverría, Jorge; Sanz Miguel, Pablo J.","Unveiling n → π* interactions: convergence of quantum crystallography and computational insights.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2825","2832","10.1039/d5dt02386f","","","0.71073","MoKα","","0.0537","0.0382","","","0.0858","0.0959","","","","","","1.028","","","","has coordinates,has disorder","304487","2026-02-18","00:08:24",""
"7720181","13.5822","0.0005","6.6192","0.0002","16.0458","0.0007","90","","109.382","0.0015","90","","1360.81","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H19 Cl N4 O4 -","- C9 H19 Cl N4 O4 -","- C36 H76 Cl4 N16 O16 -","4","1","","Polo, Alvaro; García-Orduña, Pilar; Echeverría, Jorge; Sanz Miguel, Pablo J.","Unveiling n → π* interactions: convergence of quantum crystallography and computational insights.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2825","2832","10.1039/d5dt02386f","","","0.71073","MoKα","","0.0507","0.0432","","","0.1225","0.1301","","","","","","1.044","","","","has coordinates","304487","2026-02-18","00:08:24",""
"7720182","11.2219","0.0009","14.8838","0.0013","6.4028","0.0005","90","","102.403","0.0011","90","","1044.46","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 Cl N4 O2 -","- C8 H13 Cl N4 O2 -","- C32 H52 Cl4 N16 O8 -","4","1","","Polo, Alvaro; García-Orduña, Pilar; Echeverría, Jorge; Sanz Miguel, Pablo J.","Unveiling n → π* interactions: convergence of quantum crystallography and computational insights.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2825","2832","10.1039/d5dt02386f","","","0.71073","MoKα","","0.0349","0.0311","","","0.0839","0.0868","","","","","","1.054","","","","has coordinates","304487","2026-02-18","00:08:24",""
"7720183","11.3493","0.0007","11.5417","0.0007","8.4397","0.0005","90","","90","","90","","1105.52","0.12","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H11 I N4 O -","- C8 H11 I N4 O -","- C32 H44 I4 N16 O4 -","4","1","","Polo, Alvaro; García-Orduña, Pilar; Echeverría, Jorge; Sanz Miguel, Pablo J.","Unveiling n → π* interactions: convergence of quantum crystallography and computational insights.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2825","2832","10.1039/d5dt02386f","","","0.71073","MoKα","","0.011","0.011","","","0.0271","0.0271","","","","","","1.069","","","","has coordinates","304487","2026-02-18","00:08:24",""
"7720184","11.45","0.0003","15.0573","0.0004","6.4762","0.0002","90","","103.116","0.0009","90","","1087.41","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 Br N4 O2 -","- C8 H13 Br N4 O2 -","- C32 H52 Br4 N16 O8 -","4","1","","Polo, Alvaro; García-Orduña, Pilar; Echeverría, Jorge; Sanz Miguel, Pablo J.","Unveiling n → π* interactions: convergence of quantum crystallography and computational insights.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2825","2832","10.1039/d5dt02386f","","","0.71073","MoKα","","0.02","0.0198","","","0.0529","0.053","","","","","","1.083","","","","has coordinates","304487","2026-02-18","00:08:25",""
"7720185","11.4461","0.0005","15.0792","0.0007","6.4594","0.0003","90","","103.232","0.001","90","","1085.28","0.09","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12.6 Br N4 O1.8 -","- C8 H12.6 Br N4 O1.8 -","- C32 H50.4 Br4 N16 O7.2 -","4","1","","Polo, Alvaro; García-Orduña, Pilar; Echeverría, Jorge; Sanz Miguel, Pablo J.","Unveiling n → π* interactions: convergence of quantum crystallography and computational insights.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2825","2832","10.1039/d5dt02386f","","","0.71073","MoKα","","0.0143","0.0143","","","0.0329","0.033","","","","","","1.022","","","","has coordinates","304487","2026-02-18","00:08:25",""
"7720186","10.8695","0.0002","31.6715","0.0004","25.596","0.0005","90","","100.159","0.002","90","","8673.4","0.3","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92.5 H69 Cl Cu2 I2 N4 P4 -","- C92 H68 Cu2 I2 N4 P4 -","- C368 H272 Cu8 I8 N16 P16 -","4","1","","Li, Shi-Ji; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Li, Feng-Yan; Qin, Hai-Mei","Dinuclear copper(I) halide complexes containing unsymmetric diphosphine: structure, photophysical and photocatalytic hydrogen production properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3043","3054","10.1039/d5dt02914g","","x-ray","1.54184","CuKα","","0.068","0.0611","","","0.1885","0.1961","","","","","","1.086","","","","has coordinates","304488","2026-02-18","00:09:15",""
"7720187","13.9102","0.0008","17.6178","0.0008","17.7983","0.0009","98.066","0.004","98.273","0.005","112.512","0.005","3895.3","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H68 Cl2 Cu2 N4 P4 -","- C92 H68 Cl2 Cu2 N4 P4 -","- C184 H136 Cl4 Cu4 N8 P8 -","2","1","","Li, Shi-Ji; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Li, Feng-Yan; Qin, Hai-Mei","Dinuclear copper(I) halide complexes containing unsymmetric diphosphine: structure, photophysical and photocatalytic hydrogen production properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3043","3054","10.1039/d5dt02914g","","x-ray","1.54184","CuKα","","0.1492","0.0821","","","0.1892","0.229","","","","","","1.033","","","","has coordinates","304488","2026-02-18","00:09:15",""
"7720188","10.7953","0.0002","31.6104","0.0004","25.5744","0.0006","90","","99.677","0.002","90","","8602.9","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H68 Br2 Cu2 N4 P4 -","- C92 H68 Br2 Cu2 N4 P4 -","- C368 H272 Br8 Cu8 N16 P16 -","4","1","","Li, Shi-Ji; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Li, Feng-Yan; Qin, Hai-Mei","Dinuclear copper(I) halide complexes containing unsymmetric diphosphine: structure, photophysical and photocatalytic hydrogen production properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3043","3054","10.1039/d5dt02914g","","x-ray","1.54184","CuKα","","0.06","0.0479","","","0.1372","0.1471","","","","","","1.068","","","","has coordinates","304488","2026-02-18","00:09:16",""
"7720189","16.29","0.003","16.118","0.003","16.455","0.003","90","","90.84","0.03","90","","4320","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 Eu N10 O11 -","- C40 H43 Eu N10 O11 -","- C160 H172 Eu4 N40 O44 -","4","1","","Avagyan, Nane A.; Zonov, Roman V.; Lemport, Pavel S.; Polikovskiy, Trofim A.; Metlin, Mikhail T.; Taydakov, Ilya V.; Averin, Alexei D.; Roznyatovsky, Vitaly A.; Simochkina, Anastasia I.; Danshina, Anastasia A.; Nelyubina, Yulia V.; Vokuev, Mikhail F.; Rodin, Igor A.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Sterically crowded phenanthrolinediamides: conformational behavior and photophysics of their complexes with an Eu-Gd-Tb triad.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3055","3072","10.1039/d5dt02745d","","","0.71073","MoKα","","0.0646","0.0446","","","0.0877","0.094","","","","","","1.069","","","","has coordinates","304489","2026-02-18","00:10:18",""
"7720190","14.1554","0.0002","14.3468","0.0002","15.5469","0.0002","87.636","0.001","84.514","0.001","65.906","0.001","2869.05","0.07","100","0.1","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H35 N4 O2.5 -","- C34 H35 N4 O2.5 -","- C136 H140 N16 O10 -","4","2","","Avagyan, Nane A.; Zonov, Roman V.; Lemport, Pavel S.; Polikovskiy, Trofim A.; Metlin, Mikhail T.; Taydakov, Ilya V.; Averin, Alexei D.; Roznyatovsky, Vitaly A.; Simochkina, Anastasia I.; Danshina, Anastasia A.; Nelyubina, Yulia V.; Vokuev, Mikhail F.; Rodin, Igor A.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Sterically crowded phenanthrolinediamides: conformational behavior and photophysics of their complexes with an Eu-Gd-Tb triad.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3055","3072","10.1039/d5dt02745d","","","1.54184","CuKα","","0.0601","0.0528","","","0.1395","0.1456","","","","","","1.023","","","","has coordinates,has disorder","304489","2026-02-18","00:10:19",""
"7720191","16.2488","0.0004","16.1155","0.0004","16.4363","0.0005","90","","90.78","0.001","90","","4303.6","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 Gd N10 O11 -","- C40 H43 Gd N10 O11 -","- C160 H172 Gd4 N40 O44 -","4","1","","Avagyan, Nane A.; Zonov, Roman V.; Lemport, Pavel S.; Polikovskiy, Trofim A.; Metlin, Mikhail T.; Taydakov, Ilya V.; Averin, Alexei D.; Roznyatovsky, Vitaly A.; Simochkina, Anastasia I.; Danshina, Anastasia A.; Nelyubina, Yulia V.; Vokuev, Mikhail F.; Rodin, Igor A.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Sterically crowded phenanthrolinediamides: conformational behavior and photophysics of their complexes with an Eu-Gd-Tb triad.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3055","3072","10.1039/d5dt02745d","","x-ray","0.71073","MoKα","","0.0377","0.0279","","","0.0649","0.0707","","","","","","1.024","","","","has coordinates","304489","2026-02-18","00:10:19",""
"7720192","16.2361","0.0006","16.1028","0.0004","16.4455","0.0005","90","","90.9758","0.0012","90","","4299","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 N10 O11 Tb -","- C40 H43 N10 O11 Tb -","- C160 H172 N40 O44 Tb4 -","4","1","","Avagyan, Nane A.; Zonov, Roman V.; Lemport, Pavel S.; Polikovskiy, Trofim A.; Metlin, Mikhail T.; Taydakov, Ilya V.; Averin, Alexei D.; Roznyatovsky, Vitaly A.; Simochkina, Anastasia I.; Danshina, Anastasia A.; Nelyubina, Yulia V.; Vokuev, Mikhail F.; Rodin, Igor A.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Sterically crowded phenanthrolinediamides: conformational behavior and photophysics of their complexes with an Eu-Gd-Tb triad.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3055","3072","10.1039/d5dt02745d","","x-ray","0.71073","MoKα","","0.0471","0.0316","","","0.0658","0.0731","","","","","","1.016","","","","has coordinates","304489","2026-02-18","00:10:19",""
"7720193","8.5688","0.0009","11.382","0.0012","15.1663","0.0016","108.959","0.003","93.759","0.003","100.386","0.003","1363.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 N6 S2 Sn -","- C30 H28 N6 S2 Sn -","- C60 H56 N12 S4 Sn2 -","2","1","","Labutskaya, Liliya D.; Klok, Varvara A.; Krylova, Irina V.; Shangin, Pavel G.; Minyaev, Mikhail E.; Tretyakov, Evgeny V.; Syroeshkin, Mikhail A.; Egorov, Mikhail P.; Nikolaevskaya, Elena N.","Spectroscopic and electrochemical studies of tin(IV) complexes with noninnocent N<sub>2</sub>S<sub>2</sub> and N<sub>2</sub>O<sub>2</sub> ligands based on acenaphthene.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3073","3086","10.1039/d5dt02688a","","","0.71073","MoKα","","0.1201","0.0649","","","0.1262","0.1498","","","","","","1.023","","","","has coordinates","304490","2026-02-18","00:10:38",""
"7720194","62.1004","0.0015","16.0479","0.0006","7.9027","0.0003","90","","90","","90","","7875.7","0.5","169.98","0.1","169.98","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","oxo-t-butoxo-[N''-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonato]vanadium(v) polymer","","- C18 H20 N3 O5 V -","- C18 H20 N3 O5 V -","- C288 H320 N48 O80 V16 -","16","1","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","1.54184","CuKα","","0.0409","0.0376","","","0.0976","0.0995","","","","","","1.029","","","","has coordinates","305362","2026-04-05","12:03:28",""
"7720195","17.8876","0.0002","15.6647","0.0002","13.3744","0.0001","90","","100.076","0.001","90","","3689.76","0.07","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","oxo-n-butoxo-[N''-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonato]vanadium(v) polymer form alpha","","- C18 H20 N3 O5 V -","- C18 H20 N3 O5 V -","- C144 H160 N24 O40 V8 -","8","2","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","1.54184","CuKα","","0.0402","0.0364","","","0.0966","0.0989","","","","","","1.047","","","","has coordinates","305362","2026-04-05","12:03:28",""
"7720196","10.336","0.0002","14.3043","0.0002","15.0552","0.0003","87.419","0.001","75.757","0.002","76.596","0.001","2098.54","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","oxo-n-pentoxo-[N''-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonato]vanadium(v) polymer form beta","","- C76 H88 N12 O20 V4 -","- C76 H88 N12 O20 V4 -","- C76 H88 N12 O20 V4 -","1","0.5","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","1.54184","CuKα","","0.07","0.0608","","","0.1978","0.2091","","","","","","1.055","","","","has coordinates,has disorder","305362","2026-04-05","12:03:28",""
"7720197","15.7349","0.0002","19.5409","0.0003","26.1973","0.0004","102.874","0.001","100.023","0.001","108.932","0.001","7157.8","0.2","173.4","0.4","173.4","0.4","","","","","","","","5","P -1","-P 1","2","","oxo-n-propoxo-[N''-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonato]vanadium(v) tetramer","","- C68 H72 N12 O20 V4 -","- C68 H72 N12 O20 V4 -","- C272 H288 N48 O80 V16 -","4","2","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","1.54184","CuKα","","0.1618","0.1521","","","0.4032","0.4076","","","","","","1.084","","","","has coordinates","305362","2026-04-05","12:03:28",""
"7720198","25.3304","0.0008","25.3304","0.0008","15.9617","0.0006","90","","90","","120","","8869.4","0.5","169.98","0.1","169.98","0.1","","","","","","","","5","R -3 :H","-R 3","148","","oxo-n-butoxo-[N''-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonato]vanadium(v) polymer form beta","","- C18 H19 N3 O5 V -","- C18 H19 N3 O5 V -","- C324 H342 N54 O90 V18 -","18","1","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","1.54184","CuKα","","0.0812","0.0712","","","0.2031","0.2145","","","","","","1.086","","","","has coordinates,has disorder","305362","2026-04-05","12:03:28",""
"7720199","11.4973","0.0007","10.8105","0.0005","26.3388","0.0019","90","","102.323","0.007","90","","3198.3","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","oxo-methoxo-[N''-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonato]vanadium(v) polymer","","- C15 H14 N3 O5 V -","- C15 H14 N3 O5 V -","- C120 H112 N24 O40 V8 -","8","2","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","0.71073","MoKα","","0.1679","0.0636","","","0.1242","0.1648","","","","","","0.994","","","","has coordinates","305362","2026-04-05","12:03:28",""
"7720200","16.1589","0.0005","7.457","0.0002","30.2326","0.0007","90","","90","","90","","3642.94","0.17","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","oxo-n-propoxo-[N''-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonato]vanadium(v) polymer form beta","","- C17 H18 N3 O5 V -","- C17 H18 N3 O5 V -","- C136 H144 N24 O40 V8 -","8","2","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","1.54184","CuKα","","0.0949","0.0677","","","0.1712","0.1933","","","","","","1.025","","","","has coordinates,has disorder","305362","2026-04-05","12:03:28",""
"7720201","10.4796","0.0002","24.295","0.0006","14.3185","0.0003","90","","101.686","0.002","90","","3569.95","0.14","169.98","0.1","169.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N3 O5 V -","- C17 H18 N3 O5 V -","- C136 H144 N24 O40 V8 -","8","2","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","1.54184","CuKα","","0.0334","0.0295","","","0.0777","0.0796","","","","","","1.05","","","","has coordinates","305362","2026-04-05","12:03:28",""
"7720202","11.8838","0.0003","10.7455","0.0003","26.4644","0.0007","90","","93.011","0.002","90","","3374.77","0.16","169.98","0.1","169.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","oxo-ethoxo-[N''-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonato]vanadium(v) polymer","","- C16 H16 N3 O5 V -","- C16 H16 N3 O5 V -","- C128 H128 N24 O40 V8 -","8","2","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","1.54184","CuKα","","0.055","0.0476","","","0.1311","0.1395","","","","","","1.107","","","","has coordinates","305362","2026-04-05","12:03:28",""
"7720203","15.746","0.0002","13.503","0.0001","34.1126","0.0004","90","","90","","90","","7252.96","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","oxo-n-propoxo-[N''-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonato]vanadium(v) polymer form alpha","","- C17 H18 N3 O5 V -","- C17 H18 N3 O5 V -","- C272 H288 N48 O80 V16 -","16","2","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","1.54184","CuKα","","0.0549","0.0452","","","0.1316","0.1398","","","","","","1.051","","","","has coordinates,has disorder","305362","2026-04-05","12:03:28",""
"7720204","10.3272","0.0001","14.262","0.0001","14.4277","0.0001","78.535","0.001","76.59","0.001","76.531","0.001","1986.54","0.03","169.99","0.1","169.99","0.1","","","","","","","","5","P -1","-P 1","2","","oxo-n-pentoxo-[N''-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonato]vanadium(v) polymer","","- C76 H88 N12 O20 V4 -","- C76 H88 N12 O20 V4 -","- C76 H88 N12 O20 V4 -","1","0.5","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","1.54184","CuKα","","0.0347","0.0329","","","0.0905","0.0916","","","","","","1.083","","","","has coordinates","305362","2026-04-05","12:03:28",""
"7720205","11.1571","0.0002","13.8853","0.0003","16.6309","0.0003","84.104","0.002","88.812","0.002","78.965","0.002","2515.44","0.09","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H41 Fe2 N15 S6 -","- C48 H41 Fe2 N15 S6 -","- C96 H82 Fe4 N30 S12 -","2","1","","Becker, Jens-Georg; Sundaresan, Sriram; Hochdörffer, Tim; Wolny, Juliusz A.; Carrella, Luca M.; Schünemann, Volker; Rentschler, Eva","Sub lattice driven spin state ordering and coordination elasticity in Fe(II) 1,3,4-thiadiazole complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2833","2844","10.1039/d5dt02912k","","","0.71073","MoKα","","0.0461","0.0381","","","0.0917","0.097","","","","","","1.029","","","","has coordinates,has disorder","304493","2026-02-18","00:12:17",""
"7720206","31.237","0.002","12.1599","0.0006","17.6916","0.0012","90","","107.101","0.005","90","","6422.9","0.7","230","","230","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H32.5 B2 Fe N9.5 S -","- C28 H32.5 B2 Fe N9.5 S -","- C224 H260 B16 Fe8 N76 S8 -","8","1","","Becker, Jens-Georg; Sundaresan, Sriram; Hochdörffer, Tim; Wolny, Juliusz A.; Carrella, Luca M.; Schünemann, Volker; Rentschler, Eva","Sub lattice driven spin state ordering and coordination elasticity in Fe(II) 1,3,4-thiadiazole complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2833","2844","10.1039/d5dt02912k","","","0.71073","MoKα","","0.0616","0.0558","","","0.161","0.1675","","","","","","1.037","","","","has coordinates,has disorder","304493","2026-02-18","00:12:18",""
"7720207","30.9617","0.0007","12.1406","0.0002","17.1318","0.0004","90","","107.055","0.002","90","","6156.5","0.2","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H34 B2 Fe N9.5 S -","- C29 H34 B2 Fe N9.5 S -","- C232 H272 B16 Fe8 N76 S8 -","8","1","","Becker, Jens-Georg; Sundaresan, Sriram; Hochdörffer, Tim; Wolny, Juliusz A.; Carrella, Luca M.; Schünemann, Volker; Rentschler, Eva","Sub lattice driven spin state ordering and coordination elasticity in Fe(II) 1,3,4-thiadiazole complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2833","2844","10.1039/d5dt02912k","","","0.71073","MoKα","","0.0595","0.0573","","","0.1661","0.1679","","","","","","1.111","","","","has coordinates,has disorder","304493","2026-02-18","00:12:18",""
"7720208","11.203","0.007","14.143","0.011","16.91","0.013","84.3","0.06","89.04","0.06","79.39","0.06","2620","3","240","","240","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H41 Fe2 N15 S6 -","- C48 H41 Fe2 N15 S6 -","- C96 H82 Fe4 N30 S12 -","2","1","","Becker, Jens-Georg; Sundaresan, Sriram; Hochdörffer, Tim; Wolny, Juliusz A.; Carrella, Luca M.; Schünemann, Volker; Rentschler, Eva","Sub lattice driven spin state ordering and coordination elasticity in Fe(II) 1,3,4-thiadiazole complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2833","2844","10.1039/d5dt02912k","","","0.71073","MoKα","","0.1551","0.054","","","0.1225","0.1507","","","","","","0.871","","","","has coordinates,has disorder","304493","2026-02-18","00:12:18",""
"7720209","31.3953","0.0013","11.8669","0.0005","17.468","0.0006","90","","107.895","0.003","90","","6193.1","0.4","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H26.5 Fe N9.5 S Se2 -","- C27 H25 Fe N9 S Se2 -","- C216 H200 Fe8 N72 S8 Se16 -","8","1","","Becker, Jens-Georg; Sundaresan, Sriram; Hochdörffer, Tim; Wolny, Juliusz A.; Carrella, Luca M.; Schünemann, Volker; Rentschler, Eva","Sub lattice driven spin state ordering and coordination elasticity in Fe(II) 1,3,4-thiadiazole complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2833","2844","10.1039/d5dt02912k","","","0.71073","MoKα","","0.0829","0.062","","","0.1552","0.1678","","","","","","1.083","","","","has coordinates,has disorder","304493","2026-02-18","00:12:18",""
"7720210","9.2193","0.0005","13.6159","0.0008","13.7054","0.0008","88.222","0.002","78.591","0.002","74.893","0.002","1627.77","0.16","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H50 Cl6 Cu2 I2 N6 O2 P2 -","- C64 H50 Cl6 Cu2 I2 N6 O2 P2 -","- C64 H50 Cl6 Cu2 I2 N6 O2 P2 -","1","0.5","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Zakharov, Konstantin; Tyutyunik, Andrey; Vlasenko, Valery; Zueva, Ekaterina; Petrova, Maria; Linert, Wolfgang","Diverse structures and emission properties of copper(I) iodide complexes based on an oxadiazole-type ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3138","3151","10.1039/d5dt02744f","","","0.71073","MoKα","","0.0629","0.0413","","","0.07","0.0813","","","","","","1.034","","","","has coordinates,has disorder","304494","2026-02-18","00:13:00",""
"7720211","31.569","0.007","12.141","0.003","14.223","0.003","90","","103.726","0.005","90","","5296","2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H21 Cu I N7 O2 -","- C28 H21 Cu I N7 O2 -","- C224 H168 Cu8 I8 N56 O16 -","8","1","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Zakharov, Konstantin; Tyutyunik, Andrey; Vlasenko, Valery; Zueva, Ekaterina; Petrova, Maria; Linert, Wolfgang","Diverse structures and emission properties of copper(I) iodide complexes based on an oxadiazole-type ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3138","3151","10.1039/d5dt02744f","","","0.71073","MoKα","","0.1095","0.0508","","","0.1118","0.1422","","","","","","0.985","","","","has coordinates","304494","2026-02-18","00:13:00",""
"7720212","9.8465","0.0007","13.3286","0.0011","33.4218","0.0016","90","","93.9","0.002","90","","4376.1","0.5","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cu I N3 O2 P2 -","- C50 H44 Cu I N3 O2 P2 -","- C200 H176 Cu4 I4 N12 O8 P8 -","4","1","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Zakharov, Konstantin; Tyutyunik, Andrey; Vlasenko, Valery; Zueva, Ekaterina; Petrova, Maria; Linert, Wolfgang","Diverse structures and emission properties of copper(I) iodide complexes based on an oxadiazole-type ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3138","3151","10.1039/d5dt02744f","","","0.71073","MoKα","","0.0723","0.0458","","","0.0926","0.1137","","","","","","1.028","","","","has coordinates","304494","2026-02-18","00:13:01",""
"7720213","11.0011","0.0013","8.2803","0.0009","14.8098","0.0016","90","","104.035","0.002","90","","1308.8","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cu I N3 O -","- C13 H9 Cu I N3 O -","- C52 H36 Cu4 I4 N12 O4 -","4","1","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Zakharov, Konstantin; Tyutyunik, Andrey; Vlasenko, Valery; Zueva, Ekaterina; Petrova, Maria; Linert, Wolfgang","Diverse structures and emission properties of copper(I) iodide complexes based on an oxadiazole-type ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3138","3151","10.1039/d5dt02744f","","","0.71073","MoKα","","0.0212","0.02","","","0.0494","0.05","","","","","","1.058","","","","has coordinates","304494","2026-02-18","00:13:01",""
"7720214","22.971","0.002","4.8498","0.0004","26.049","0.002","90","","92.15","0.002","90","","2899.9","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 B2 O4 S -","- C16 H10 B2 O4 S -","- C128 H80 B16 O32 S8 -","8","1","","Li, Xiaoning; Boyt, James; Cai, Min; Sloope, Steven; Lackovic, Luke T.; Smith, Mark D.; Lavigne, John J.","Boronate esters for the binding and detection of low molecular weight volatile amines.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3120","3126","10.1039/d5dt02760h","","","0.71073","MoKα","","0.0411","0.0374","","","0.0932","0.096","","","","","","1.063","","","","has coordinates","304495","2026-02-18","00:13:25",""
"7720215","22.0779","0.0012","14.3138","0.0007","17.346","0.0009","90","","104.518","0.001","90","","5306.6","0.5","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C49 H82 B2 Cl3 D F2 N2 O4 S -","- C49 H82 B2 Cl3 D F2 N2 O4 S -","- C196 H328 B8 Cl12 D4 F8 N8 O16 S4 -","4","1","","Li, Xiaoning; Boyt, James; Cai, Min; Sloope, Steven; Lackovic, Luke T.; Smith, Mark D.; Lavigne, John J.","Boronate esters for the binding and detection of low molecular weight volatile amines.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3120","3126","10.1039/d5dt02760h","","","0.71073","MoKα","","0.0664","0.0471","","","0.1197","0.1292","","","","","","1.01","","","","has coordinates","304495","2026-02-18","00:13:26",""
"7720216","26.0629","0.0003","26.0629","0.0003","7.2745","0.0002","90","","90","","90","","4941.38","0.16","140","2","140","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C25 H12 Cd F8 N2 O5 -","- C24 H8 Cd F8 N2 O4 -","- C192 H64 Cd8 F64 N16 O32 -","8","1","","Burlak, Pavel V.; Cheplakova, Anastasia M.; Samsonenko, Denis G.; Vinogradov, Andrey V.; Kovalenko, Konstantin A.; Fedin, Vladimir P.","Confinement of Cd(II) by 2,2'-bipyridyl: control of structural transformations and porosity in perfluorinated biphenyldicarboxylate MOFs.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2937","2947","10.1039/d5dt02607e","","x-ray","0.71073","MoKα","","0.0234","0.0206","","","0.0468","0.0475","","","","","","1.044","","","","has coordinates","304496","2026-02-18","00:14:06",""
"7720217","15.5016","0.0005","31.0459","0.001","20.5064","0.0006","90","","101.604","0.003","90","","9667.2","0.5","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C108 H76 Cd2 F16 N4 O14 -","- C48 H16 Cd2 F16 N4 O8 -","- C192 H64 Cd8 F64 N16 O32 -","4","1","","Burlak, Pavel V.; Cheplakova, Anastasia M.; Samsonenko, Denis G.; Vinogradov, Andrey V.; Kovalenko, Konstantin A.; Fedin, Vladimir P.","Confinement of Cd(II) by 2,2'-bipyridyl: control of structural transformations and porosity in perfluorinated biphenyldicarboxylate MOFs.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2937","2947","10.1039/d5dt02607e","","x-ray","0.71073","MoKα","","0.0526","0.0389","","","0.112","0.1163","","","","","","1.034","","","","has coordinates","304496","2026-02-18","00:14:06",""
"7720218","9.4987","0.001","22.51","0.002","10.7668","0.0011","90","","97.43","0.003","90","","2282.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H16 Cd2 F16 N4 O8 -","- C48 H16 Cd2 F16 N4 O8 -","- C96 H32 Cd4 F32 N8 O16 -","2","0.5","","Burlak, Pavel V.; Cheplakova, Anastasia M.; Samsonenko, Denis G.; Vinogradov, Andrey V.; Kovalenko, Konstantin A.; Fedin, Vladimir P.","Confinement of Cd(II) by 2,2'-bipyridyl: control of structural transformations and porosity in perfluorinated biphenyldicarboxylate MOFs.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2937","2947","10.1039/d5dt02607e","","","0.71073","MoKα","","0.0432","0.0403","","","0.0975","0.0985","","","","","","1.135","","","","has coordinates","304496","2026-02-18","00:14:06",""
"7720219","30.7327","0.0002","30.7327","0.0002","20.4403","0.0002","90","","90","","90","","19305.8","0.3","140","2","140","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C50 H24 Cd2 F16 N4 O10 -","- C48 H16 Cd2 F16 N4 O8 -","- C768 H256 Cd32 F256 N64 O128 -","16","2","","Burlak, Pavel V.; Cheplakova, Anastasia M.; Samsonenko, Denis G.; Vinogradov, Andrey V.; Kovalenko, Konstantin A.; Fedin, Vladimir P.","Confinement of Cd(II) by 2,2'-bipyridyl: control of structural transformations and porosity in perfluorinated biphenyldicarboxylate MOFs.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2937","2947","10.1039/d5dt02607e","","x-ray","0.71073","MoKα","","0.0268","0.0232","","","0.0504","0.0514","","","","","","1.039","","","","has coordinates","304496","2026-02-18","00:14:06",""
"7720220","13.2742","0.0009","11.2472","0.0006","10.3605","0.0006","90","","107.302","0.002","90","","1476.81","0.15","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N5 -","- C17 H17 N5 -","- C68 H68 N20 -","4","1","","Zhang, Guoqi; Mei, Haiyu; Kanina, Amy; Chocho, Marilyn; Hiyaev, Paulina; Cheng, Shu-Yuan; Neary, Michelle C.","Isomers of 2,2':6',2″-terpyridine and 2,6-dipyrazin-2-ylpyridine with aliphatic substituents: synthesis, coordination chemistry, and catalytic and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2855","2867","10.1039/d5dt02824h","","","0.71073","MoKα","","0.071","0.0424","","","0.0978","0.1138","","","","","","1.015","","","","has coordinates","304497","2026-02-18","00:14:58",""
"7720221","13.3655","0.0018","6.9938","0.0008","16.633","0.002","90","","90","","90","","1554.8","0.3","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 N5 -","- C17 H17 N5 -","- C68 H68 N20 -","4","0.5","","Zhang, Guoqi; Mei, Haiyu; Kanina, Amy; Chocho, Marilyn; Hiyaev, Paulina; Cheng, Shu-Yuan; Neary, Michelle C.","Isomers of 2,2':6',2″-terpyridine and 2,6-dipyrazin-2-ylpyridine with aliphatic substituents: synthesis, coordination chemistry, and catalytic and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2855","2867","10.1039/d5dt02824h","","","0.71073","MoKα","","0.1098","0.0591","","","0.1473","0.1744","","","","","","1.018","","","","has coordinates","304497","2026-02-18","00:14:59",""
"7720222","5.7724","0.0005","11.3381","0.0011","13.8104","0.0013","80.53","0.007","83.942","0.007","88.685","0.007","886.55","0.14","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H25 N3 O2 -","- C19 H25 N3 O2 -","- C38 H50 N6 O4 -","2","1","","Zhang, Guoqi; Mei, Haiyu; Kanina, Amy; Chocho, Marilyn; Hiyaev, Paulina; Cheng, Shu-Yuan; Neary, Michelle C.","Isomers of 2,2':6',2″-terpyridine and 2,6-dipyrazin-2-ylpyridine with aliphatic substituents: synthesis, coordination chemistry, and catalytic and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2855","2867","10.1039/d5dt02824h","","","0.71073","MoKα","","0.1309","0.0551","","","0.1019","0.1293","","","","","","1.006","","","","has coordinates","304497","2026-02-18","00:14:59",""
"7720223","11.0946","0.0013","12.826","0.0015","11.4322","0.0014","90","","96.419","0.006","90","","1616.6","0.3","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N5 O -","- C17 H21 N5 O -","- C68 H84 N20 O4 -","4","1","","Zhang, Guoqi; Mei, Haiyu; Kanina, Amy; Chocho, Marilyn; Hiyaev, Paulina; Cheng, Shu-Yuan; Neary, Michelle C.","Isomers of 2,2':6',2″-terpyridine and 2,6-dipyrazin-2-ylpyridine with aliphatic substituents: synthesis, coordination chemistry, and catalytic and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2855","2867","10.1039/d5dt02824h","","","0.71073","MoKα","","0.0554","0.0446","","","0.1134","0.1261","","","","","","1.083","","","","has coordinates","304497","2026-02-18","00:14:59",""
"7720224","21.622","0.0017","14.9251","0.0012","15.7371","0.0014","90","","90","","90","","5078.5","0.7","120","","120.01","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H19 I2 N3 Zn -","- C19 H19 I2 N3 Zn -","- C152 H152 I16 N24 Zn8 -","8","1","","Zhang, Guoqi; Mei, Haiyu; Kanina, Amy; Chocho, Marilyn; Hiyaev, Paulina; Cheng, Shu-Yuan; Neary, Michelle C.","Isomers of 2,2':6',2″-terpyridine and 2,6-dipyrazin-2-ylpyridine with aliphatic substituents: synthesis, coordination chemistry, and catalytic and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2855","2867","10.1039/d5dt02824h","","","0.71073","MoKα","","0.0387","0.0317","","","0.0732","0.0797","","","","","","1.1101","","","","has coordinates","304497","2026-02-18","00:14:59",""
"7720225","11.817","0.002","12.712","0.002","16.105","0.003","90","","90","","90","","2419.3","0.7","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Cl2 Co N5 -","- C24 H25 Cl2 Co N5 -","- C96 H100 Cl8 Co4 N20 -","4","1","","Zhang, Guoqi; Mei, Haiyu; Kanina, Amy; Chocho, Marilyn; Hiyaev, Paulina; Cheng, Shu-Yuan; Neary, Michelle C.","Isomers of 2,2':6',2″-terpyridine and 2,6-dipyrazin-2-ylpyridine with aliphatic substituents: synthesis, coordination chemistry, and catalytic and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2855","2867","10.1039/d5dt02824h","","","0.71073","MoKα","","0.0243","0.0236","","","0.0611","0.0617","","","","","","1.042","","","","has coordinates,has disorder","304497","2026-02-18","00:14:59",""
"7720226","31.739","0.009","11.768","0.003","24.007","0.006","90","","97.035","0.007","90","","8899","4","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 Co N8 O2 S2 -","- C40 H38 Co N8 S2 -","- C320 H304 Co8 N64 S16 -","8","1","","Zhang, Guoqi; Mei, Haiyu; Kanina, Amy; Chocho, Marilyn; Hiyaev, Paulina; Cheng, Shu-Yuan; Neary, Michelle C.","Isomers of 2,2':6',2″-terpyridine and 2,6-dipyrazin-2-ylpyridine with aliphatic substituents: synthesis, coordination chemistry, and catalytic and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2855","2867","10.1039/d5dt02824h","","","0.71073","MoKα","","0.076","0.0479","","","0.123","0.1379","","","","","","1.027","","","","has coordinates,has disorder","304497","2026-02-18","00:14:59",""
"7720227","17.3665","0.0012","10.9964","0.0008","18.1432","0.0013","90","","116.17","0.004","90","","3109.6","0.4","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H19 N3 -","- C19 H19 N3 -","- C152 H152 N24 -","8","4","","Zhang, Guoqi; Mei, Haiyu; Kanina, Amy; Chocho, Marilyn; Hiyaev, Paulina; Cheng, Shu-Yuan; Neary, Michelle C.","Isomers of 2,2':6',2″-terpyridine and 2,6-dipyrazin-2-ylpyridine with aliphatic substituents: synthesis, coordination chemistry, and catalytic and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2855","2867","10.1039/d5dt02824h","","","0.71073","MoKα","","0.1101","0.0669","","","0.171","0.2017","","","","","","1.032","","","","has coordinates,has disorder","304497","2026-02-18","00:14:59",""
"7720228","12.29912","0.00015","21.6544","0.0003","42.9575","0.0006","90","","90","","90","","11440.9","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H70 N2 O6 Se2 -","- C62 H70 N2 O6 Se2 -","- C496 H560 N16 O48 Se16 -","8","1","","Ravi, Rajkumar; Saravanan, Raju; Butcher, Ray J.; Karuthapandi, Selvakumar","Chalcogen bond-driven self-assembly of a 4-<i>tert</i>-butylcalix[4]arene-ebselen conjugate.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4687","4699","10.1039/d5dt02079d","","","1.54184","CuKα","","0.1068","0.1008","","","0.2768","0.2797","","","","","","1.081","","","","has coordinates,has disorder","305378","2026-04-05","12:09:48",""
"7720229","44.516","0.009","12.701","0.002","21.17","0.004","90","","103.955","0.007","90","","11616","4","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H70 N2 O6 Se2 -","- C62 H70 N2 O6 Se2 -","- C496 H560 N16 O48 Se16 -","8","1","","Ravi, Rajkumar; Saravanan, Raju; Butcher, Ray J.; Karuthapandi, Selvakumar","Chalcogen bond-driven self-assembly of a 4-<i>tert</i>-butylcalix[4]arene-ebselen conjugate.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4687","4699","10.1039/d5dt02079d","","","0.71073","MoKα","","0.1462","0.0862","","","0.2165","0.2672","","","","","","1.053","","","","has coordinates,has disorder","305378","2026-04-05","12:09:48",""
"7720230","44.443","0.007","12.6181","0.0017","20.733","0.003","90","","104.062","0.004","90","","11278","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H70 N2 O6 Se2 -","- C62 H70 N2 O6 Se2 -","- C496 H560 N16 O48 Se16 -","8","1","","Ravi, Rajkumar; Saravanan, Raju; Butcher, Ray J.; Karuthapandi, Selvakumar","Chalcogen bond-driven self-assembly of a 4-<i>tert</i>-butylcalix[4]arene-ebselen conjugate.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4687","4699","10.1039/d5dt02079d","","","0.71073","MoKα","","0.1595","0.1039","","","0.2437","0.2802","","","","","","1.055","","","","has coordinates","305378","2026-04-05","12:09:48",""
"7720231","14.9374","0.0004","9.871","0.0003","17.3397","0.0004","90","","107.02","0.001","90","","2444.71","0.11","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 Co2 Li2 N2 O18 -","- C52 H36 Co2 Li2 N2 O18 -","- C104 H72 Co4 Li4 N4 O36 -","2","0.5","","Rubtsova, Irina K.; Yambulatov, Dmitriy S.; Shmelev, Maxim A.; Voronina, Julia K.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Matiukhina, Anna K.; Nikolaevskii, Stanislav A.; Kiskin, Mikhail A.; Eremenko, Igor L.","The influence of the coordination environment of cobalt(II) ions on the magnetic properties of heterometallic complexes with a {Co<sub>2</sub>Li<sub>2</sub>} metal core.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2883","2892","10.1039/d5dt02560e","","","0.71073","MoKα","","0.0814","0.06","","","0.1259","0.1355","","","","","","1.067","","","","has coordinates,has disorder","304499","2026-02-18","00:16:09",""
"7720232","10.452","0.01","14.441","0.015","21.42","0.013","90","","92.63","0.02","90","","3230","5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H44 Co2 Li2 N10 O12 -","- C70 H44 Co2 Li2 N10 O12 -","- C140 H88 Co4 Li4 N20 O24 -","2","0.5","","Rubtsova, Irina K.; Yambulatov, Dmitriy S.; Shmelev, Maxim A.; Voronina, Julia K.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Matiukhina, Anna K.; Nikolaevskii, Stanislav A.; Kiskin, Mikhail A.; Eremenko, Igor L.","The influence of the coordination environment of cobalt(II) ions on the magnetic properties of heterometallic complexes with a {Co<sub>2</sub>Li<sub>2</sub>} metal core.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2883","2892","10.1039/d5dt02560e","","","0.71073","MoKα","","0.1468","0.1134","","","0.2914","0.3092","","","","","","1.086","","","","has coordinates","304499","2026-02-18","00:16:11",""
"7720233","10.648","0.01","10.726","0.011","13.592","0.015","72.09","0.02","77.39","0.02","73.39","0.03","1401","2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H38 Co2 Li2 N8 O12 -","- C66 H38 Co2 Li2 N8 O12 -","- C66 H38 Co2 Li2 N8 O12 -","1","0.5","","Rubtsova, Irina K.; Yambulatov, Dmitriy S.; Shmelev, Maxim A.; Voronina, Julia K.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Matiukhina, Anna K.; Nikolaevskii, Stanislav A.; Kiskin, Mikhail A.; Eremenko, Igor L.","The influence of the coordination environment of cobalt(II) ions on the magnetic properties of heterometallic complexes with a {Co<sub>2</sub>Li<sub>2</sub>} metal core.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2883","2892","10.1039/d5dt02560e","","","0.71073","MoKα","","0.0956","0.0877","","","0.2404","0.2436","","","","","","1.059","","","","has coordinates","304499","2026-02-18","00:16:11",""
"7720234","9.6334","0.0004","9.7861","0.0004","13.6111","0.0005","99.974","0.002","103.929","0.002","90.221","0.002","1225.22","0.09","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H34 Co2 Li2 N4 O18 -","- C50 H34 Co2 Li2 N4 O18 -","- C50 H34 Co2 Li2 N4 O18 -","1","0.5","","Rubtsova, Irina K.; Yambulatov, Dmitriy S.; Shmelev, Maxim A.; Voronina, Julia K.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Matiukhina, Anna K.; Nikolaevskii, Stanislav A.; Kiskin, Mikhail A.; Eremenko, Igor L.","The influence of the coordination environment of cobalt(II) ions on the magnetic properties of heterometallic complexes with a {Co<sub>2</sub>Li<sub>2</sub>} metal core.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2883","2892","10.1039/d5dt02560e","","","0.71073","MoKα","","0.0603","0.0427","","","0.0988","0.1067","","","","","","1.026","","","","has coordinates,has disorder","304499","2026-02-18","00:16:11",""
"7720235","15.0397","0.0007","24.4053","0.0014","15.792","0.0007","90","","107.05","0.002","90","","5541.7","0.5","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C110 H142 Co2 Li2 N4 O12 -","- C110 H142 Co2 Li2 N4 O12 -","- C220 H284 Co4 Li4 N8 O24 -","2","0.5","","Rubtsova, Irina K.; Yambulatov, Dmitriy S.; Shmelev, Maxim A.; Voronina, Julia K.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Matiukhina, Anna K.; Nikolaevskii, Stanislav A.; Kiskin, Mikhail A.; Eremenko, Igor L.","The influence of the coordination environment of cobalt(II) ions on the magnetic properties of heterometallic complexes with a {Co<sub>2</sub>Li<sub>2</sub>} metal core.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2883","2892","10.1039/d5dt02560e","","","0.71073","MoKα","","0.1312","0.0787","","","0.1867","0.2148","","","","","","1.018","","","","has coordinates,has disorder","304499","2026-02-18","00:16:11",""
"7720236","26.0812","0.0009","14.3916","0.0005","27.6124","0.0009","90","","96.456","0.001","90","","10298.6","0.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H55 N8 O9 Sm -","- C54 H48 N7 O8 Sm -","- C432 H384 N56 O64 Sm8 -","8","1","","Belousov, Yuriy A.; Polikovsky, Trofim A.; Metlin, Mikhail T.; Shikin, Daniil D.; Gontcharenko, Victoria E.; Lyssenko, Konstanin A.; Drozdov, Andrey A.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Marchetti, Fabio; Pettinari, Claudio","Why europium acylpyrazolonates are bad phosphors: lessons learned from the study of ionic and polymer complexes [MLnQ<sub>4</sub>], M = NEt<sub>4</sub><sup>+</sup>, Ag<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3087","3100","10.1039/d5dt02746b","","","0.71073","MoKα","","0.0744","0.0701","","","0.144","0.146","","","","","","1.31","","","","has coordinates,has disorder","304500","2026-02-18","00:17:13",""
"7720237","14.0221","0.0005","29.1667","0.0011","16.7398","0.0006","90","","113.133","0.001","90","","6295.7","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C71.5 H57.25 Ag N9.75 O8 Sm -","- C71.5 H57.25 Ag N9.75 O8 Sm -","- C286 H229 Ag4 N39 O32 Sm4 -","4","1","","Belousov, Yuriy A.; Polikovsky, Trofim A.; Metlin, Mikhail T.; Shikin, Daniil D.; Gontcharenko, Victoria E.; Lyssenko, Konstanin A.; Drozdov, Andrey A.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Marchetti, Fabio; Pettinari, Claudio","Why europium acylpyrazolonates are bad phosphors: lessons learned from the study of ionic and polymer complexes [MLnQ<sub>4</sub>], M = NEt<sub>4</sub><sup>+</sup>, Ag<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3087","3100","10.1039/d5dt02746b","","","0.71073","MoKα","","0.0764","0.0553","","","0.1145","0.1266","","","","","","1.045","","","","has coordinates,has disorder","304500","2026-02-18","00:17:13",""
"7720238","26.133","0.004","14.423","0.003","27.726","0.005","90","","96.708","0.005","90","","10379","3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H61 Eu N8 O10 -","- C54 H48 Eu N7 O8 -","- C432 H384 Eu8 N56 O64 -","8","1","","Belousov, Yuriy A.; Polikovsky, Trofim A.; Metlin, Mikhail T.; Shikin, Daniil D.; Gontcharenko, Victoria E.; Lyssenko, Konstanin A.; Drozdov, Andrey A.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Marchetti, Fabio; Pettinari, Claudio","Why europium acylpyrazolonates are bad phosphors: lessons learned from the study of ionic and polymer complexes [MLnQ<sub>4</sub>], M = NEt<sub>4</sub><sup>+</sup>, Ag<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3087","3100","10.1039/d5dt02746b","","","0.71073","MoKα","","0.1053","0.0824","","","0.186","0.2006","","","","","","1.081","","","","has coordinates","304500","2026-02-18","00:17:14",""
"7720239","23.8802","0.0006","14.7946","0.0004","20.5168","0.0007","90","","106.963","0.001","90","","6933.2","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H75 Eu N10 O8 -","- C78 H75 Eu N10 O8 -","- C312 H300 Eu4 N40 O32 -","4","1","","Belousov, Yuriy A.; Polikovsky, Trofim A.; Metlin, Mikhail T.; Shikin, Daniil D.; Gontcharenko, Victoria E.; Lyssenko, Konstanin A.; Drozdov, Andrey A.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Marchetti, Fabio; Pettinari, Claudio","Why europium acylpyrazolonates are bad phosphors: lessons learned from the study of ionic and polymer complexes [MLnQ<sub>4</sub>], M = NEt<sub>4</sub><sup>+</sup>, Ag<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3087","3100","10.1039/d5dt02746b","","","0.71073","MoKα","","0.0701","0.0522","","","0.111","0.1219","","","","","","1.034","","","","has coordinates","304500","2026-02-18","00:17:14",""
"7720240","23.9119","0.0019","14.8147","0.0011","20.536","0.0015","90","","107.131","0.002","90","","6952.1","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H75 N10 O8 Sm -","- C78 H75 N10 O8 Sm -","- C312 H300 N40 O32 Sm4 -","4","1","","Belousov, Yuriy A.; Polikovsky, Trofim A.; Metlin, Mikhail T.; Shikin, Daniil D.; Gontcharenko, Victoria E.; Lyssenko, Konstanin A.; Drozdov, Andrey A.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Marchetti, Fabio; Pettinari, Claudio","Why europium acylpyrazolonates are bad phosphors: lessons learned from the study of ionic and polymer complexes [MLnQ<sub>4</sub>], M = NEt<sub>4</sub><sup>+</sup>, Ag<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3087","3100","10.1039/d5dt02746b","","","0.71073","MoKα","","0.0639","0.0416","","","0.0912","0.0996","","","","","","1.039","","","","has coordinates","304500","2026-02-18","00:17:14",""
"7720241","13.9878","0.0003","29.1643","0.0006","16.7245","0.0003","90","","113.031","0.001","90","","6278.9","0.2","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C71.5 H57.25 Ag Gd N9.75 O8 -","- C71.5 H57.25 Ag Gd N9.75 O8 -","- C286 H229 Ag4 Gd4 N39 O32 -","4","1","","Belousov, Yuriy A.; Polikovsky, Trofim A.; Metlin, Mikhail T.; Shikin, Daniil D.; Gontcharenko, Victoria E.; Lyssenko, Konstanin A.; Drozdov, Andrey A.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Marchetti, Fabio; Pettinari, Claudio","Why europium acylpyrazolonates are bad phosphors: lessons learned from the study of ionic and polymer complexes [MLnQ<sub>4</sub>], M = NEt<sub>4</sub><sup>+</sup>, Ag<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3087","3100","10.1039/d5dt02746b","","","0.71073","MoKα","","0.0734","0.0552","","","0.1111","0.1223","","","","","","1.038","","","","has coordinates,has disorder","304500","2026-02-18","00:17:14",""
"7720242","14.0434","0.0008","29.1528","0.0016","16.7937","0.0009","90","","112.813","0.001","90","","6337.6","0.6","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C71.5 H57.25 Ag Eu N9.75 O8 -","- C71.5 H57.25 Ag Eu N9.75 O8 -","- C286 H229 Ag4 Eu4 N39 O32 -","4","1","","Belousov, Yuriy A.; Polikovsky, Trofim A.; Metlin, Mikhail T.; Shikin, Daniil D.; Gontcharenko, Victoria E.; Lyssenko, Konstanin A.; Drozdov, Andrey A.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Marchetti, Fabio; Pettinari, Claudio","Why europium acylpyrazolonates are bad phosphors: lessons learned from the study of ionic and polymer complexes [MLnQ<sub>4</sub>], M = NEt<sub>4</sub><sup>+</sup>, Ag<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3087","3100","10.1039/d5dt02746b","","","0.71073","MoKα","","0.0687","0.0427","","","0.0841","0.0939","","","","","","1.024","","","","has coordinates,has disorder","304500","2026-02-18","00:17:14",""
"7720243","7.037","0.0003","5.4777","0.0002","14.1283","0.0005","90","","94.808","0.003","90","","542.68","0.04","293","","293","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cl2 H4 O7 P2 Pb3 -","- Cl2 H4 O7 P2 Pb3 -","- Cl4 H8 O14 P4 Pb6 -","2","0.5","","Zhao, Zong-Jie; Yan, Yu-Zheng; Fu, Jia-Jian; Wu, Hong-Yan; Zhang, Jian-Han","Crystal structures and optical properties of two layered lead halide phosphites Pb<sub>3</sub>(HPO<sub>3</sub>)Cl<sub>4</sub>·H<sub>2</sub>O and Pb<sub>3</sub>(HPO<sub>3</sub>)<sub>2</sub>Cl<sub>2</sub>·H<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4169","4180","10.1039/d5dt03075g","","","0.71073","MoKα","","0.0324","0.029","","","0.0636","0.0646","","","","","","1.055","","","","has coordinates","305357","2026-04-05","12:01:25",""
"7720244","15.7896","0.0003","8.4224","0.0002","16.4621","0.0004","90","","102.742","0.002","90","","2135.32","0.08","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cl4 H3 O4 P Pb3 -","- Cl4 H3 O4 P Pb3 -","- Cl32 H24 O32 P8 Pb24 -","8","2","","Zhao, Zong-Jie; Yan, Yu-Zheng; Fu, Jia-Jian; Wu, Hong-Yan; Zhang, Jian-Han","Crystal structures and optical properties of two layered lead halide phosphites Pb<sub>3</sub>(HPO<sub>3</sub>)Cl<sub>4</sub>·H<sub>2</sub>O and Pb<sub>3</sub>(HPO<sub>3</sub>)<sub>2</sub>Cl<sub>2</sub>·H<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4169","4180","10.1039/d5dt03075g","","","0.71073","MoKα","","0.0433","0.0331","","","0.0746","0.0787","","","","","","1.019","","","","has coordinates","305357","2026-04-05","12:01:25",""
"7720245","5.3593","0.0003","16.3702","0.0007","10.7142","0.0005","90","","102.787","0.002","90","","916.67","0.08","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CV8_250K","","","- C16 H16 N6 Ni O2 S2 -","- C16 H16 N6 Ni O2 S2 -","- C32 H32 N12 Ni2 O4 S4 -","2","0.5","","Loukopoulos, Edward; Fabra, David; Melones-Herrero, Jorge; Matesanz, Ana I.; Viciana, Carmen; Platero-Prats, Ana E; Sánchez-Pérez, Isabel; Quiroga, Adoracion G.","Structural features and antibacterial activity of Ni(II) thiosemicarbazones in a zirconium metal-organic framework composite.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5130","5138","10.1039/d5dt03008k","","","0.71073","MoKα","","0.0427","0.0291","","","0.0626","0.0675","","","","","","1.051","","","","has coordinates","305368","2026-04-05","12:06:28",""
"7720246","7.1806","0.0006","11.4484","0.0009","13.8901","0.001","76.331","0.002","86.624","0.003","83.694","0.003","1102.16","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","CV14.3_150K","","","- C40 H50 N12 Ni O10 S2 -","- C40 H50 N12 Ni O10 S2 -","- C40 H50 N12 Ni O10 S2 -","1","0.5","","Loukopoulos, Edward; Fabra, David; Melones-Herrero, Jorge; Matesanz, Ana I.; Viciana, Carmen; Platero-Prats, Ana E; Sánchez-Pérez, Isabel; Quiroga, Adoracion G.","Structural features and antibacterial activity of Ni(II) thiosemicarbazones in a zirconium metal-organic framework composite.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5130","5138","10.1039/d5dt03008k","","x-ray","0.71073","MoKα","","0.0486","0.0345","","","0.0831","0.0878","","","","","","1.049","","","","has coordinates","305368","2026-04-05","12:06:28",""
"7720247","11.7331","0.0009","7.2792","0.0006","13.7801","0.0011","90","","104.101","0.006","90","","1141.46","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cl2 N2 O -","- C13 H8 Cl2 N2 O -","- C52 H32 Cl8 N8 O4 -","4","1","","D'Anna, Luisa; Froux, Aurane; Bonsignore, Riccardo; Roller, Alexander; Kowol, Christian R.; Monari, Antonio; Grandemange, Stéphanie; Barone, Giampaolo; Terenzi, Alessio","<i>In medio stat virtus</i>: asymmetric Salphen metal complexes with improved biological properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4250","4258","10.1039/d5dt02881g","","x-ray","1.54186","CuKα","","0.066","0.0557","","","0.1461","0.157","","","","","","1.058","","","","has coordinates","305352","2026-04-05","12:01:02",""
"7720248","28.962","0.008","3.788","0.0006","23.455","0.007","90","","112.9","0.02","90","","2370.4","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C104 H80 Cl16 N16 O8 -","8","1","","D'Anna, Luisa; Froux, Aurane; Bonsignore, Riccardo; Roller, Alexander; Kowol, Christian R.; Monari, Antonio; Grandemange, Stéphanie; Barone, Giampaolo; Terenzi, Alessio","<i>In medio stat virtus</i>: asymmetric Salphen metal complexes with improved biological properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4250","4258","10.1039/d5dt02881g","","x-ray","0.71073","MoKα","","0.0926","0.048","","","0.1099","0.1214","","","","","","1.031","","","","has coordinates,has disorder","305352","2026-04-05","12:01:02",""
"7720249","10.8579","0.0005","11.2199","0.0004","7.0701","0.0003","90","","104.371","0.007","90","","834.36","0.07","111","2","111","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 N5 O S -","- C5 H9 N5 O S -","- C20 H36 N20 O4 S4 -","4","1","","Petrasheuskaya, Tatsiana V.; Kiss, Márton A; Rapta, Peter; Fonay, Csenge; May, Nóra V; Spengler, Gabriella; Frank, Éva; Enyedy, Éva A","Comparative solution study of imidazole-derived thiosemicarbazone complexes: effects of methylation and aromatic conjugation on the redox properties, anticancer, and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4269","4287","10.1039/d5dt02939b","","","0.71075","MoKα","","0.038","0.0359","","","0.0812","0.0823","","","","","","1.0716","","","","has coordinates","305361","2026-04-05","12:02:58",""
"7720250","9.4428","0.0008","14.1585","0.0011","7.3587","0.0007","90","","108.425","0.008","90","","933.4","0.15","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 N5 S -","- C7 H11 N5 S -","- C28 H44 N20 S4 -","4","1","","Petrasheuskaya, Tatsiana V.; Kiss, Márton A; Rapta, Peter; Fonay, Csenge; May, Nóra V; Spengler, Gabriella; Frank, Éva; Enyedy, Éva A","Comparative solution study of imidazole-derived thiosemicarbazone complexes: effects of methylation and aromatic conjugation on the redox properties, anticancer, and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4269","4287","10.1039/d5dt02939b","","x-ray","0.71073","MoKα","","0.0558","0.0444","","","0.0942","0.0993","","","","","","1.0834","","","","has coordinates","305361","2026-04-05","12:02:58",""
"7720251","15.3254","0.0012","4.0308","0.0004","34.173","0.003","90","","102.906","0.007","90","","2057.7","0.3","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Cl4 Cu2 N10 Na2 O S2 -","- C10 H14 Cl4 Cu2 N10 Na2 O S2 -","- C40 H56 Cl16 Cu8 N40 Na8 O4 S8 -","4","0.5","","Petrasheuskaya, Tatsiana V.; Kiss, Márton A; Rapta, Peter; Fonay, Csenge; May, Nóra V; Spengler, Gabriella; Frank, Éva; Enyedy, Éva A","Comparative solution study of imidazole-derived thiosemicarbazone complexes: effects of methylation and aromatic conjugation on the redox properties, anticancer, and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4269","4287","10.1039/d5dt02939b","","x-ray","0.71073","MoKα","","0.1009","0.0648","","","0.0971","0.1065","","","","","","1.1198","","","","has coordinates","305361","2026-04-05","12:02:58",""
"7720252","6.609","0.0009","21.973","0.003","6.9687","0.0008","90","","90","","90","","1012","0.2","125","2","125","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C7 H10 Cl N5 S -","- C7 H10 Cl N5 S -","- C28 H40 Cl4 N20 S4 -","4","0.5","","Petrasheuskaya, Tatsiana V.; Kiss, Márton A; Rapta, Peter; Fonay, Csenge; May, Nóra V; Spengler, Gabriella; Frank, Éva; Enyedy, Éva A","Comparative solution study of imidazole-derived thiosemicarbazone complexes: effects of methylation and aromatic conjugation on the redox properties, anticancer, and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4269","4287","10.1039/d5dt02939b","","x-ray","0.71073","MoKα","","0.0465","0.0444","","","0.1009","0.1021","","","","","","1.0821","","","","has coordinates,has disorder","305361","2026-04-05","12:02:58",""
"7720253","17.136","0.004","6.888","0.0014","20.579","0.005","90","","98.284","0.009","90","","2403.7","0.9","120","2","120.15","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C14 H25 Cl2 Cu2 N10 O3 S2 -","- C14 H25 Cl2 Cu2 N10 O3 S2 -","- C56 H100 Cl8 Cu8 N40 O12 S8 -","4","0.5","","Petrasheuskaya, Tatsiana V.; Kiss, Márton A; Rapta, Peter; Fonay, Csenge; May, Nóra V; Spengler, Gabriella; Frank, Éva; Enyedy, Éva A","Comparative solution study of imidazole-derived thiosemicarbazone complexes: effects of methylation and aromatic conjugation on the redox properties, anticancer, and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4269","4287","10.1039/d5dt02939b","","x-ray","0.71073","MoKα","","0.0417","0.0336","","","0.067","0.0697","","","","","","1.0846","","","","has coordinates","305361","2026-04-05","12:02:58",""
"7720254","20.1353","0.0007","14.3233","0.0004","15.9141","0.0005","90","","92.489","0.007","90","","4585.4","0.3","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Cl Fe N10 O S2 -","- C15 H24 Cl Fe N10 O S2 -","- C120 H192 Cl8 Fe8 N80 O8 S16 -","8","2","","Petrasheuskaya, Tatsiana V.; Kiss, Márton A; Rapta, Peter; Fonay, Csenge; May, Nóra V; Spengler, Gabriella; Frank, Éva; Enyedy, Éva A","Comparative solution study of imidazole-derived thiosemicarbazone complexes: effects of methylation and aromatic conjugation on the redox properties, anticancer, and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4269","4287","10.1039/d5dt02939b","","x-ray","0.71075","MoKα","","0.0685","0.0543","","","0.1151","0.1212","","","","","","1.0769","","","","has coordinates","305361","2026-04-05","12:02:58",""
"7720255","15.4545","0.0015","7.6025","0.0007","20.508","0.002","90","","108.077","0.008","90","","2290.6","0.4","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cl4 Cu2 N10 O S2 -","- C12 H18 Cl4 Cu2 N10 O S2 -","- C48 H72 Cl16 Cu8 N40 O4 S8 -","4","1","","Petrasheuskaya, Tatsiana V.; Kiss, Márton A; Rapta, Peter; Fonay, Csenge; May, Nóra V; Spengler, Gabriella; Frank, Éva; Enyedy, Éva A","Comparative solution study of imidazole-derived thiosemicarbazone complexes: effects of methylation and aromatic conjugation on the redox properties, anticancer, and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4269","4287","10.1039/d5dt02939b","","x-ray","0.71073","MoKα","","0.1895","0.1478","","","0.3375","0.3671","","","","","","1.0768","","","","has coordinates","305361","2026-04-05","12:02:58",""
"7720256","9.6485","0.0004","7.8052","0.0003","22.5205","0.0008","90","","90","","90","","1695.98","0.11","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H9 N5 S -","- C6 H9 N5 S -","- C48 H72 N40 S8 -","8","1","","Petrasheuskaya, Tatsiana V.; Kiss, Márton A; Rapta, Peter; Fonay, Csenge; May, Nóra V; Spengler, Gabriella; Frank, Éva; Enyedy, Éva A","Comparative solution study of imidazole-derived thiosemicarbazone complexes: effects of methylation and aromatic conjugation on the redox properties, anticancer, and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4269","4287","10.1039/d5dt02939b","","x-ray","0.71073","MoKα","","0.0444","0.0413","","","0.0931","0.0954","","","","","","1.1062","","","","has coordinates","305361","2026-04-05","12:02:58",""
"7720257","17.5784","0.0008","17.5784","0.0008","46.063","0.004","90","","90","","90","","14233.5","1.5","296","2","296","2","","","","","","","","7","I 4/m c m","-I 4 2c","140","","","","- C72 H74 Cu3 F18 N24 O Si3 -","- C72 H74 Cu3 F18 N24 O Si3 -","- C288 H296 Cu12 F72 N96 O4 Si12 -","4","0.125","","Liu, Shuang; Yu, Chunze; Geng, Sidan; Duan, Jingui","Formation and tuning of a pillar porous-layered framework into a pillar double-channelled framework.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4813","4820","10.1039/d6dt00054a","","","0.71073","MoKα","","0.0909","0.0648","","","0.182","0.1912","","","","","","1.096","","","","has coordinates","305394","2026-04-05","12:12:22",""
"7720258","44.4981","0.001","44.4981","0.001","12.974","0.0006","90","","90","","90","","25689.6","1.4","293","2","293","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C54 H54 Cu2.5 F7.5 N18 Ti1.25 -","- C54 H54 Cu2.5 F7.5 N18 Ti1.25 -","- C432 H432 Cu20 F60 N144 Ti10 -","8","0.5","","Liu, Shuang; Yu, Chunze; Geng, Sidan; Duan, Jingui","Formation and tuning of a pillar porous-layered framework into a pillar double-channelled framework.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4813","4820","10.1039/d6dt00054a","","","0.71073","MoKα","","0.1364","0.1053","","","0.2786","0.2979","","","","","","1.092","","","","has coordinates,has disorder","305394","2026-04-05","12:12:22",""
"7720259","19.933","0.004","16.961","0.003","15.528","0.004","90","","100.411","0.012","90","","5163.3","1.9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H17 Ag Cl N5.46 O4.54 S -","- C25 H17 Ag Cl N5.46 O4.54 S -","- C200 H136 Ag8 Cl8 N43.68 O36.32 S8 -","8","1","","Ndifon, Peltine; Pinder, Emma C.; Slater, Christopher H. L.; Clemett, Christopher J.; McRobbie, Auska A. T.; Rayner, Samuel P.; Wickramarachchi, Shalith; Bertal-Ngaage, Karima; Allison, Simon J.; Dowey, Rebecca; Harmer, Jane; Carr, Martin; Slate, Anthony J.; Phillips, Roger M.; Butler, Jonathan A.; Rice, Craig R.; Whitehead, Martina","Synthesis, characterisation and biological properties of a silver helicate which displays enhanced activity towards methicillin-resistant <i>Staphylococcus aureus</i> (MRSA).","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3667","3671","10.1039/d6dt00038j","","","0.71073","MoKα","","0.0674","0.0492","","","0.1419","0.1605","","","","","","0.988","","","","has coordinates,has disorder","304915","2026-03-05","12:52:57",""
"7720260","11.8934","0.0003","22.7852","0.0006","9.454","0.0002","90","","102.526","0.001","90","","2500.99","0.11","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Ag F3 N5 O3 S2 -","- C24 H17 Ag F3 N5 O3 S2 -","- C96 H68 Ag4 F12 N20 O12 S8 -","4","1","","Ndifon, Peltine; Pinder, Emma C.; Slater, Christopher H. L.; Clemett, Christopher J.; McRobbie, Auska A. T.; Rayner, Samuel P.; Wickramarachchi, Shalith; Bertal-Ngaage, Karima; Allison, Simon J.; Dowey, Rebecca; Harmer, Jane; Carr, Martin; Slate, Anthony J.; Phillips, Roger M.; Butler, Jonathan A.; Rice, Craig R.; Whitehead, Martina","Synthesis, characterisation and biological properties of a silver helicate which displays enhanced activity towards methicillin-resistant <i>Staphylococcus aureus</i> (MRSA).","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3667","3671","10.1039/d6dt00038j","","","0.71073","MoKα","","0.0369","0.0325","","","0.0719","0.0739","","","","","","1.109","","","","has coordinates","304915","2026-03-05","12:52:58",""
"7720261","11.8289","0.0005","11.9812","0.0005","20.776","0.0009","100.505","0.002","99.09","0.002","100.839","0.002","2786.5","0.2","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C118 H144 N12 P4 Zn4 -","- C118 H144 N12 P4 Zn4 -","- C118 H144 N12 P4 Zn4 -","1","0.5","","Ginés, Carlos; Parra-Cadenas, Blanca; Elorriaga, David; García-Vivó, Daniel; Fernández-Galán, Rafael; Ramos, Alberto; Carrillo-Hermosilla, Fernando","Efficient synthesis of cyclic carbonates and oxazolidinones by simple zinc guanidinato complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4525","4534","10.1039/d6dt00139d","","","0.71073","MoKα","","0.092","0.0477","","","0.1304","0.1745","","","","","","1.066","","","","has coordinates,has disorder","305379","2026-04-05","12:09:58",""
"7720262","12.0842","0.0005","34.2298","0.001","11.1316","0.0004","90","","116.101","0.005","90","","4134.9","0.3","250","0.14","250.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 N6 S2 Zn2 -","- C40 H54 N6 S2 Zn2 -","- C160 H216 N24 S8 Zn8 -","4","1","","Ginés, Carlos; Parra-Cadenas, Blanca; Elorriaga, David; García-Vivó, Daniel; Fernández-Galán, Rafael; Ramos, Alberto; Carrillo-Hermosilla, Fernando","Efficient synthesis of cyclic carbonates and oxazolidinones by simple zinc guanidinato complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4525","4534","10.1039/d6dt00139d","","","0.71073","MoKα","","0.0709","0.0571","","","0.1435","0.1486","","","","","","1.115","","","","has coordinates,has disorder","305379","2026-04-05","12:09:58",""
"7720263","9.502","0.0001","10.9733","0.0001","15.7972","0.0002","90","","104.764","0.001","90","","1592.76","0.03","250","0.1","250","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 N6 O2 Zn2 -","- C28 H46 N6 O2 Zn2 -","- C56 H92 N12 O4 Zn4 -","2","0.5","","Ginés, Carlos; Parra-Cadenas, Blanca; Elorriaga, David; García-Vivó, Daniel; Fernández-Galán, Rafael; Ramos, Alberto; Carrillo-Hermosilla, Fernando","Efficient synthesis of cyclic carbonates and oxazolidinones by simple zinc guanidinato complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4525","4534","10.1039/d6dt00139d","","x-ray","1.54184","CuKα","","0.0238","0.0228","","","0.0639","0.0646","","","","","","1.067","","","","has coordinates","305379","2026-04-05","12:09:58",""
"7720264","7.0307","0.0003","12.5506","0.0006","32.798","0.0014","90","","90","","90","","2894.1","0.2","280","2","280","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C24 H14 Ba2 Br2 Cu2 F4 N4 O9 -","- C24 H14 Ba2 Br2 Cu2 F4 N4 O9 -","- C96 H56 Ba8 Br8 Cu8 F16 N16 O36 -","4","0.5","","Peng, Can; Zhang, Sheng-Mao; Liu, Jin-Mei; Wang, Nian-Hao; Tian, Lin-Xu; Ping, Xue-Hao; Zhao, Jia-Jing; Wu, Zhao-Feng; Huang, Xiao-Ying","A series of Cu<i>X</i> (<i>X</i> = Br and I) units bearing Ba-MOFs: structures, fluorescence and sensing properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4792","4801","10.1039/d5dt02972d","","","0.71073","MoKα","","0.0664","0.0429","","","0.0899","0.1011","","","","","","1.07","","","","has coordinates,has disorder","305401","2026-04-05","12:15:15",""
"7720265","9.2951","0.0002","11.6513","0.0002","20.1943","0.0004","74.916","0.002","81.305","0.002","86.706","0.002","2087.04","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H33 Ba2 Br3 Cu4 N5 O16.5 -","- C30 H33 Ba2 Br3 Cu4 N5 O16.5 -","- C60 H66 Ba4 Br6 Cu8 N10 O33 -","2","1","","Peng, Can; Zhang, Sheng-Mao; Liu, Jin-Mei; Wang, Nian-Hao; Tian, Lin-Xu; Ping, Xue-Hao; Zhao, Jia-Jing; Wu, Zhao-Feng; Huang, Xiao-Ying","A series of Cu<i>X</i> (<i>X</i> = Br and I) units bearing Ba-MOFs: structures, fluorescence and sensing properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4792","4801","10.1039/d5dt02972d","","","0.71073","MoKα","","0.0411","0.0295","","","0.0658","0.0691","","","","","","1.034","","","","has coordinates","305401","2026-04-05","12:15:15",""
"7720266","10.6665","0.0002","14.1811","0.0003","18.5074","0.0003","105.729","0.002","102.88","0.002","100.66","0.002","2535.42","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H68 Ba2 Cu7 I6 K5 N13 O26.5 -","- C69 H64 Ba2 Cu7 I6 K5 N13 O26.5 -","- C69 H64 Ba2 Cu7 I6 K5 N13 O26.5 -","1","0.5","","Peng, Can; Zhang, Sheng-Mao; Liu, Jin-Mei; Wang, Nian-Hao; Tian, Lin-Xu; Ping, Xue-Hao; Zhao, Jia-Jing; Wu, Zhao-Feng; Huang, Xiao-Ying","A series of Cu<i>X</i> (<i>X</i> = Br and I) units bearing Ba-MOFs: structures, fluorescence and sensing properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4792","4801","10.1039/d5dt02972d","","","0.71073","MoKα","","0.0552","0.0381","","","0.0906","0.0971","","","","","","1.055","","","","has coordinates,has disorder","305401","2026-04-05","12:15:15",""
"7720267","16.3216","0.0012","13.6024","0.0008","20.9657","0.0013","90","","92.313","0.006","90","","4650.9","0.5","296.8","1","296.8","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","di(2,6-bis[3-phenylimidazol-2-35ylidene]pyridine)manganese(II) hexafluorophosphate","","- C46 H34 F12 Mn N10 P2 -","- C46 H34 F12 Mn N10 P2 -","- C184 H136 F48 Mn4 N40 P8 -","4","1","","Rhames, Maxwell C.; Burnett, Nora L.; Lee, Annemarie A.; Clark, Colin B.; Tocco, William C.; Ahmed, Ahshabibi; Ruhren, Alexander N.; Besson, Claire; Panetier, Julien A.; Swierk, John R.; Arias-Rotondo, Daniela M","A low-spin manganese(II) complex with an emissive charge-transfer excited state.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4097","4101","10.1039/d5dt02990b","","x-ray","0.71073","MoKα","","0.1823","0.071","","","0.1395","0.1778","","","","","","0.991","","","","has coordinates,has disorder","305356","2026-04-05","12:01:22",""
"7720268","11.7471","0.0004","11.9355","0.0004","12.3676","0.0004","89.889","0.001","75.106","0.001","77.776","0.001","1635.25","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H66 Eu2 N18 Na2 O36 -","- C46 H66 Eu2 N18 Na2 O36 -","- C46 H66 Eu2 N18 Na2 O36 -","1","0.5","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences in the luminescence spectra and concentration quenching of Eu<sup>3+</sup> luminescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4988","4996","10.1039/d5dt02952j","","","0.71073","MoKα","","0.0168","0.016","","","0.0386","0.0391","","","","","","1.056","","","","has coordinates","305396","2026-04-05","12:13:52",""
"7720269","11.7248","0.0013","11.8913","0.0013","12.3642","0.0014","89.653","0.005","74.987","0.005","77.757","0.005","1625","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H66 Eu0.25 N18 Na2 O36 Y1.75 -","- C46 H66 Eu0.2412 N18 Na2 O36 Y1.7588 -","- C46 H66 Eu0.2412 N18 Na2 O36 Y1.7588 -","1","0.5","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences in the luminescence spectra and concentration quenching of Eu<sup>3+</sup> luminescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4988","4996","10.1039/d5dt02952j","","","0.71073","MoKα","","0.0557","0.039","","","0.0806","0.0872","","","","","","1.05","","","","has coordinates,has disorder","305396","2026-04-05","12:13:52",""
"7720270","11.7306","0.0005","11.9014","0.0006","12.3547","0.0006","89.751","0.002","75.01","0.002","77.732","0.002","1625.76","0.13","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H66 Eu0.67 N18 Na2 O36 Y1.33 -","- C46 H66 Eu0.6706 N18 Na2 O36 Y1.3294 -","- C46 H66 Eu0.6706 N18 Na2 O36 Y1.3294 -","1","0.5","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences in the luminescence spectra and concentration quenching of Eu<sup>3+</sup> luminescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4988","4996","10.1039/d5dt02952j","","","0.71073","MoKα","","0.0439","0.0338","","","0.0774","0.0823","","","","","","1.047","","","","has coordinates,has disorder","305396","2026-04-05","12:13:52",""
"7720271","11.7374","0.0006","11.9066","0.0006","12.3666","0.0006","89.797","0.002","75.063","0.002","77.733","0.002","1629.34","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H66 N18 Na2 O36 Tb2 -","- C46 H66 N18 Na2 O36 Tb2 -","- C46 H66 N18 Na2 O36 Tb2 -","1","0.5","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences in the luminescence spectra and concentration quenching of Eu<sup>3+</sup> luminescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4988","4996","10.1039/d5dt02952j","","","0.71073","MoKα","","0.0222","0.0205","","","0.0491","0.05","","","","","","1.082","","","","has coordinates","305396","2026-04-05","12:13:52",""
"7720272","11.7224","0.0009","11.8824","0.0009","12.3528","0.0008","89.612","0.003","74.984","0.003","77.739","0.003","1621.8","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H66 N18 Na2 O36 Y2 -","- C46 H66 N18 Na2 O36 Y2 -","- C46 H66 N18 Na2 O36 Y2 -","1","0.5","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences in the luminescence spectra and concentration quenching of Eu<sup>3+</sup> luminescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4988","4996","10.1039/d5dt02952j","","","0.71073","MoKα","","0.0389","0.0319","","","0.0751","0.0773","","","","","","1.031","","","","has coordinates","305396","2026-04-05","12:13:52",""
"7720273","11.7211","0.0006","11.8783","0.0006","12.3497","0.0007","89.65","0.003","74.992","0.002","77.688","0.002","1620.36","0.15","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H66 Eu0.1 N18 Na2 O36 Y1.9 -","- C46 H66 Eu0.1 N18 Na2 O36 Y1.9 -","- C46 H66 Eu0.1 N18 Na2 O36 Y1.9 -","1","0.5","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences in the luminescence spectra and concentration quenching of Eu<sup>3+</sup> luminescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4988","4996","10.1039/d5dt02952j","","","0.71073","MoKα","","0.063","0.0438","","","0.0888","0.0983","","","","","","1.055","","","","has coordinates,has disorder","305396","2026-04-05","12:13:52",""
"7720274","11.7385","0.0006","11.9005","0.0005","12.3629","0.0006","89.767","0.002","75.062","0.002","77.751","0.002","1628.33","0.14","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H66 Eu0.8 N18 Na2 O36 Y1.2 -","- C46 H66 Eu0.792 N18 Na2 O36 Y1.208 -","- C46 H66 Eu0.792 N18 Na2 O36 Y1.208 -","1","0.5","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences in the luminescence spectra and concentration quenching of Eu<sup>3+</sup> luminescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4988","4996","10.1039/d5dt02952j","","","0.71073","MoKα","","0.0391","0.0318","","","0.0757","0.0793","","","","","","1.055","","","","has coordinates,has disorder","305396","2026-04-05","12:13:52",""
"7720275","11.7324","0.001","11.8824","0.001","12.3569","0.0011","89.617","0.003","74.934","0.003","77.671","0.003","1622.9","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H66 Ho2 N18 Na2 O36 -","- C46 H66 Ho2 N18 Na2 O36 -","- C46 H66 Ho2 N18 Na2 O36 -","1","0.5","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences in the luminescence spectra and concentration quenching of Eu<sup>3+</sup> luminescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4988","4996","10.1039/d5dt02952j","","","0.71073","MoKα","","0.0215","0.0207","","","0.0507","0.0511","","","","","","1.078","","","","has coordinates","305396","2026-04-05","12:13:52",""
"7720276","11.7329","0.0006","11.8952","0.0006","12.3584","0.0007","89.673","0.002","75.03","0.002","77.725","0.002","1625.96","0.15","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H66 Eu0.42 N18 Na2 O36 Y1.58 -","- C46 H66 Eu0.4192 N18 Na2 O36 Y1.5808 -","- C46 H66 Eu0.4192 N18 Na2 O36 Y1.5808 -","1","0.5","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences in the luminescence spectra and concentration quenching of Eu<sup>3+</sup> luminescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4988","4996","10.1039/d5dt02952j","","","0.71073","MoKα","","0.0616","0.0439","","","0.0785","0.0864","","","","","","1.092","","","","has coordinates,has disorder","305396","2026-04-05","12:13:52",""
"7720277","11.7173","0.0006","11.8564","0.0005","12.3481","0.0006","89.499","0.002","74.919","0.002","77.631","0.002","1615.92","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H66 N18 Na2 O36 Tm2 -","- C46 H66 N18 Na2 O36 Tm2 -","- C46 H66 N18 Na2 O36 Tm2 -","1","0.5","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences in the luminescence spectra and concentration quenching of Eu<sup>3+</sup> luminescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4988","4996","10.1039/d5dt02952j","","","0.71073","MoKα","","0.0184","0.0175","","","0.0437","0.0441","","","","","","1.135","","","","has coordinates","305396","2026-04-05","12:13:52",""
"7720278","7.78","0.0004","13.5149","0.0007","19.6193","0.0008","90","","96.022","0.002","90","","2051.51","0.17","193","","193","","","","","","","","Toluene - CH3CN","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl N4 O3 Re -","- C20 H18 Cl N4 O3 Re -","- C80 H72 Cl4 N16 O12 Re4 -","4","1","","Abate, Pedro O.; Rizo, José Francisco; Fernández-de-Córdova, Francisco José; Ros, Abel; Rivada-Wheelaghan, Orestes","Acid-responsive rhenium(I) NHC complexes: pyrazine <i>vs.</i> pyridine.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4677","4686","10.1039/d6dt00158k","","","0.71073","MoKα","","0.0347","0.0241","","","0.0506","0.058","","","","","","1.191","","","","has coordinates","305385","2026-04-05","12:11:00",""
"7720279","19.606","0.002","9.987","0.001","16.0179","0.0012","90","","103.353","0.004","90","","3051.6","0.5","193","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 B F4 N5 O3 Re -","- C29 H29 B F4 N5 O3 Re -","- C116 H116 B4 F16 N20 O12 Re4 -","4","1","","Abate, Pedro O.; Rizo, José Francisco; Fernández-de-Córdova, Francisco José; Ros, Abel; Rivada-Wheelaghan, Orestes","Acid-responsive rhenium(I) NHC complexes: pyrazine <i>vs.</i> pyridine.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4677","4686","10.1039/d6dt00158k","","","0.71073","MoKα","","0.0427","0.0349","","","0.0743","0.0774","","","","","","1.143","","","","has coordinates","305385","2026-04-05","12:11:00",""
"7720280","11.1996","0.0006","15.6853","0.0008","22.5574","0.0011","72.895","0.002","87.83","0.002","84.825","0.002","3771.7","0.3","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H38 F6 N4 O3 P Re -","- C37 H38 F6 N4 O3 P Re -","- C148 H152 F24 N16 O12 P4 Re4 -","4","2","","Abate, Pedro O.; Rizo, José Francisco; Fernández-de-Córdova, Francisco José; Ros, Abel; Rivada-Wheelaghan, Orestes","Acid-responsive rhenium(I) NHC complexes: pyrazine <i>vs.</i> pyridine.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4677","4686","10.1039/d6dt00158k","","x-ray","0.71073","MoKα","","0.0768","0.0535","","","0.1089","0.1157","","","","","","1.152","","","","has coordinates","305385","2026-04-05","12:11:00",""
"7720281","11.5596","0.0005","23.0747","0.0009","6.7187","0.0003","90","","90","","90","","1792.11","0.13","300","","300","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- Eu Ga2 Te4 -","- Eu Ga2 Te4 -","- Eu8 Ga16 Te32 -","8","0.5","","Jana, Subhendu; Chirantha Edirisinghe, E. A.; Mongkhonratanachai, Machima; Maggard, Paul A.","Crystal growth of metal tellurides from a boron-tellurium mixture: MTr<sub>2</sub>Te<sub>4</sub> (M = Sr, Eu; Tr = In, Ga).","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4574","4583","10.1039/d6dt00156d","","","0.71073","MoKα","","0.027","0.0212","","","0.0591","0.0639","","","","","","1.08","","","","has coordinates","305381","2026-04-05","12:10:21",""
"7720282","8.219","0.0005","8.219","0.0005","6.727","0.0005","90","","90","","90","","454.42","0.05","300","2","300","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Ga2 Sr Te4 -","- Ga2 Sr Te4 -","- Ga4 Sr2 Te8 -","2","0.0625","","Jana, Subhendu; Chirantha Edirisinghe, E. A.; Mongkhonratanachai, Machima; Maggard, Paul A.","Crystal growth of metal tellurides from a boron-tellurium mixture: MTr<sub>2</sub>Te<sub>4</sub> (M = Sr, Eu; Tr = In, Ga).","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4574","4583","10.1039/d6dt00156d","","x-ray","0.71073","MoKα","","0.0271","0.0226","","","0.0474","0.0486","","","","","","0.995","","","","has coordinates","305381","2026-04-05","12:10:21",""
"7720283","7.1392","0.0005","11.6314","0.0008","11.6903","0.0009","90","","90","","90","","970.75","0.12","300","","300","","","","","","","","","3","C c c m","-C 2 2c","66","","","","- Eu In2 Te4 -","- Eu In2 Te4 -","- Eu4 In8 Te16 -","4","0.25","","Jana, Subhendu; Chirantha Edirisinghe, E. A.; Mongkhonratanachai, Machima; Maggard, Paul A.","Crystal growth of metal tellurides from a boron-tellurium mixture: MTr<sub>2</sub>Te<sub>4</sub> (M = Sr, Eu; Tr = In, Ga).","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4574","4583","10.1039/d6dt00156d","","","0.71073","MoKα","","0.027","0.0249","","","0.0549","0.0556","","","","","","1.144","","","","has coordinates","305381","2026-04-05","12:10:21",""
"7720284","18.8218","0.0005","16.4998","0.0005","8.2891","0.0002","90","","94.2446","0.0012","90","","2567.17","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 Cl Ti -","- C34 H29 Cl Ti -","- C136 H116 Cl4 Ti4 -","4","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","1.54178","CuKα","","0.0346","0.033","","","0.0889","0.0902","","","","","","1.084","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720285","10.0789","0.0005","10.7767","0.0005","12.9427","0.0006","109.046","0.0017","91.4751","0.0017","94.0174","0.0017","1323.81","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37 Cl Si2 Ti -","- C28 H37 Cl Si2 Ti -","- C56 H74 Cl2 Si4 Ti2 -","2","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0352","0.0312","","","0.0903","0.0931","","","","","","1.045","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720286","10.1447","0.0002","10.1649","0.0002","13.2164","0.0003","90","","111.274","0.0008","90","","1270","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H42 Ti -","- C32 H42 Ti -","- C64 H84 Ti2 -","2","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0352","0.0324","","","0.0798","0.0813","","","","","","1.065","","","","has coordinates,has disorder","305374","2026-04-05","12:08:49",""
"7720287","8.5677","0.0004","12.2738","0.0006","15.0541","0.0007","90","","101.237","0.0016","90","","1552.72","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O2 Ti -","- C18 H22 O2 Ti -","- C72 H88 O8 Ti4 -","4","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0652","0.0578","","","0.1433","0.1479","","","","","","1.094","","","","has coordinates,has disorder","305374","2026-04-05","12:08:49",""
"7720288","13.9824","0.0005","9.1041","0.0003","17.9064","0.0007","90","","108.573","0.0012","90","","2160.72","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Ti -","- C28 H38 Ti -","- C112 H152 Ti4 -","4","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0322","0.0277","","","0.0818","0.0849","","","","","","1.053","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720289","8.1816","0.0003","23.8056","0.0011","25.5009","0.0011","90","","94.4182","0.0016","90","","4952","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Ti -","- C20 H26 Ti -","- C240 H312 Ti12 -","12","3","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0589","0.0485","","","0.0989","0.1027","","","","","","1.137","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720290","16.1429","0.0007","16.6373","0.0007","16.9216","0.0007","90","","93.376","0.0016","90","","4536.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Ti -","- C30 H30 Ti -","- C240 H240 Ti8 -","8","2","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0462","0.0374","","","0.099","0.1043","","","","","","1.051","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720291","9.9598","0.0004","10.8054","0.0005","13.1951","0.0006","110.092","0.0014","91.8127","0.0015","92.8264","0.0015","1330.22","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H40 Si2 Ti -","- C29 H40 Si2 Ti -","- C58 H80 Si4 Ti2 -","2","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0284","0.0262","","","0.0787","0.08","","","","","","1.095","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720292","7.25","0.0002","15.497","0.0004","11.7203","0.0003","90","","90","","90","","1316.81","0.06","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C16 H18 Ti -","- C16 H18 Ti -","- C64 H72 Ti4 -","4","0.5","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0334","0.0293","","","0.075","0.0777","","","","","","1.081","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720293","16.242","0.0014","11.5573","0.0011","32.294","0.003","90","","90","","90","","6062","1","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C36 H54 Ti -","- C36 H54 Ti -","- C288 H432 Ti8 -","8","2","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","1.54178","CuKα","","0.0941","0.087","","","0.2104","0.2163","","","","","","1.16","","","","has coordinates,has disorder","305374","2026-04-05","12:08:49",""
"7720294","8.2256","0.0004","15.7546","0.0008","20.0225","0.0009","90","","91.1451","0.0018","90","","2594.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 Ti -","- C35 H32 Ti -","- C140 H128 Ti4 -","4","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0442","0.0378","","","0.0968","0.1004","","","","","","1.061","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720295","13.1108","0.0006","10.2423","0.0005","25.2436","0.0011","90","","95.6324","0.0016","90","","3373.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 D6 Si2 Ti -","- C38 H48 D6 Si2 Ti -","- C152 H192 D24 Si8 Ti4 -","4","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0478","0.0401","","","0.0954","0.099","","","","","","1.127","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720296","9.7843","0.0007","10.6241","0.0007","12.5157","0.0008","95.663","0.003","95.294","0.003","90.89","0.003","1288.73","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H38 Si2 Ti -","- C28 H38 Si2 Ti -","- C56 H76 Si4 Ti2 -","2","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.044","0.0377","","","0.0988","0.1022","","","","","","1.081","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720297","15.8813","0.0005","16.4133","0.0005","7.9404","0.0003","90","","96.9409","0.0013","90","","2054.61","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Ti -","- C26 H34 Ti -","- C104 H136 Ti4 -","4","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0415","0.0358","","","0.0839","0.0863","","","","","","1.097","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720298","22.1525","0.0004","22.1525","0.0004","24.1648","0.0008","90","","90","","90","","11858.5","0.5","100","2","100","2","","","","","","","","3","P 43","P 4cw","78","","","","- C40 H34 Ti -","- C40 H34 Ti -","- C640 H544 Ti16 -","16","4","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","1.54178","CuKα","","0.0822","0.0681","","","0.1675","0.1787","","","","","","1.097","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720299","15.1717","0.0007","13.7665","0.0006","16.4988","0.0007","90","","103.54","0.0017","90","","3350.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H58 Ti -","- C40 H58 Ti -","- C160 H232 Ti4 -","4","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0559","0.0463","","","0.1089","0.1131","","","","","","1.133","","","","has coordinates,has disorder","305374","2026-04-05","12:08:49",""
"7720300","14.202","0.0003","14.202","0.0003","22.6244","0.0006","90","","90","","90","","4563.27","0.18","100","2","100","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- C28 H26 Ti -","- C28 H26 Ti -","- C224 H208 Ti8 -","8","0.5","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0215","0.0208","","","0.0586","0.059","","","","","","1.114","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720301","11.2225","0.0004","16.2455","0.0006","15.1819","0.0005","90","","95.0952","0.0012","90","","2756.95","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H34 D3 Ti -","- C37 H34 D3 Ti -","- C148 H136 D12 Ti4 -","4","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0386","0.0333","","","0.0907","0.0941","","","","","","1.054","","","","has coordinates,has disorder","305374","2026-04-05","12:08:49",""
"7720302","11.2614","0.0003","13.622","0.0003","27.5513","0.0009","90","","95.802","0.001","90","","4204.8","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Cl3 N O2 P Re -","- C44 H52 Cl3 N O2 P Re -","- C176 H208 Cl12 N4 O8 P4 Re4 -","4","1","","Petrov, Pavel A.; Dmitriev, Alexey A.; Semikina, Anastasiia D.; Eltsov, Ilia V.; Sukhikh, Taisiya S.; Lavrov, Alexander N.; Gushchin, Artem L.; Sokolov, Maxim N.; Gritsan, Nina P.","Electronic structure and magnetic properties of rhenium complexes with an iminoxolene ligand: experimental and computational studies.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3428","3441","10.1039/d5dt02698a","","","0.71073","MoKα","","0.0496","0.0353","","","0.0741","0.0778","","","","","","1.059","","","","has coordinates","304608","2026-02-24","23:56:45",""
"7720303","11.5787","0.0003","11.9253","0.0003","23.4028","0.0006","79.96","0.001","83.967","0.001","79.271","0.001","3117.51","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H76 Cl3 N O2 P Re -","- C68 H76 Cl3 N O2 P Re -","- C136 H152 Cl6 N2 O4 P2 Re2 -","2","1","","Petrov, Pavel A.; Dmitriev, Alexey A.; Semikina, Anastasiia D.; Eltsov, Ilia V.; Sukhikh, Taisiya S.; Lavrov, Alexander N.; Gushchin, Artem L.; Sokolov, Maxim N.; Gritsan, Nina P.","Electronic structure and magnetic properties of rhenium complexes with an iminoxolene ligand: experimental and computational studies.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3428","3441","10.1039/d5dt02698a","","","0.71073","MoKα","","0.0309","0.0253","","","0.0479","0.0495","","","","","","1.042","","","","has coordinates,has disorder","304608","2026-02-24","23:56:46",""
"7720304","11.432","0.0002","13.6478","0.0003","13.7555","0.0003","99.285","0.001","93.487","0.001","96.541","0.001","2097.37","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H52 Cl3 N O P Re -","- C44 H52 Cl3 N O P Re -","- C88 H104 Cl6 N2 O2 P2 Re2 -","2","1","","Petrov, Pavel A.; Dmitriev, Alexey A.; Semikina, Anastasiia D.; Eltsov, Ilia V.; Sukhikh, Taisiya S.; Lavrov, Alexander N.; Gushchin, Artem L.; Sokolov, Maxim N.; Gritsan, Nina P.","Electronic structure and magnetic properties of rhenium complexes with an iminoxolene ligand: experimental and computational studies.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3428","3441","10.1039/d5dt02698a","","","0.71073","MoKα","","0.0298","0.0257","","","0.0495","0.0519","","","","","","1.041","","","","has coordinates","304608","2026-02-24","23:56:46",""
"7720305","40.471","0.003","10.0512","0.0006","19.8546","0.0014","90","","101.752","0.004","90","","7907.2","0.9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H51 Cl4 Co N O1.5 Re -","- C38 H51 Cl4 Co N O1.5 Re -","- C304 H408 Cl32 Co8 N8 O12 Re8 -","8","1","","Petrov, Pavel A.; Dmitriev, Alexey A.; Semikina, Anastasiia D.; Eltsov, Ilia V.; Sukhikh, Taisiya S.; Lavrov, Alexander N.; Gushchin, Artem L.; Sokolov, Maxim N.; Gritsan, Nina P.","Electronic structure and magnetic properties of rhenium complexes with an iminoxolene ligand: experimental and computational studies.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3428","3441","10.1039/d5dt02698a","","","1.54178","CuKα","","0.0614","0.0565","","","0.1391","0.1426","","","","","","1.079","","","","has coordinates,has disorder","304608","2026-02-24","23:56:46",""
"7720308","6.0639","0.0002","8.0448","0.0003","14.3987","0.0006","90","","90","","90","","702.41","0.05","100","0.2","100","0.2","","","","","","","","5","I m m m","-I 2 2","71","","Acetamidinium bromocuprate","","- C2 H7 Br2 Cu N2 -","- C2 H7 Br2 Cu N2 -","- C8 H28 Br8 Cu4 N8 -","4","0.25","","Petrov, Andrey A.; Chen, Luyi; Li, Mingming; Fateev, Sergey A.","Structural and luminescence properties of acetamidinium- and imidazolium-based copper halides.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3422","3427","10.1039/d5dt02254a","","x-ray","0.71073","MoKα","","0.0173","0.016","","","0.0344","0.035","","","","","","1.14","","","","has coordinates,has disorder","304610","2026-02-24","23:57:52",""
"7720309","15.3264","0.0014","8.8529","0.0009","11.8454","0.0018","90","","118.931","0.003","90","","1406.6","0.3","100","0.2","100","0.2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Imidazolium bromocuprate","","- C3 H5 Br2 Cu N2 -","- C3 H5 Br2 Cu N2 -","- C24 H40 Br16 Cu8 N16 -","8","1","","Petrov, Andrey A.; Chen, Luyi; Li, Mingming; Fateev, Sergey A.","Structural and luminescence properties of acetamidinium- and imidazolium-based copper halides.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3422","3427","10.1039/d5dt02254a","","x-ray","0.71073","MoKα","","0.0529","0.0351","","","0.0721","0.0797","","","","","","1.089","","","","has coordinates","304610","2026-02-24","23:57:52",""
"7720310","6.3429","0.0003","8.6068","0.0004","14.8678","0.0009","90","","90","","90","","811.66","0.07","100","0.2","100","0.2","","","","","","","","5","I m m m","-I 2 2","71","","Acetamidinium iodocuprate","","- C2 H7 Cu I2 N2 -","- C2 H7 Cu I2 N2 -","- C8 H28 Cu4 I8 N8 -","4","0.25","","Petrov, Andrey A.; Chen, Luyi; Li, Mingming; Fateev, Sergey A.","Structural and luminescence properties of acetamidinium- and imidazolium-based copper halides.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3422","3427","10.1039/d5dt02254a","","x-ray","0.71073","MoKα","","0.0217","0.0166","","","0.0318","0.032","","","","","","1.26","","","","has coordinates","304610","2026-02-24","23:57:53",""
"7720311","8.5159","0.0007","14.1096","0.0011","10.9304","0.0008","90","","106.81","0.003","90","","1257.23","0.17","298","","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Imidazolium iodocuprate","","- C9 H15 Cu3 I6 N6 -","- C9 H15 Cu3 I6 N6 -","- C18 H30 Cu6 I12 N12 -","2","0.5","","Petrov, Andrey A.; Chen, Luyi; Li, Mingming; Fateev, Sergey A.","Structural and luminescence properties of acetamidinium- and imidazolium-based copper halides.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3422","3427","10.1039/d5dt02254a","","x-ray","0.71073","MoKα","","0.0599","0.0354","","","0.0639","0.0721","","","","","","1.028","","","","has coordinates,has disorder","304610","2026-02-24","23:57:53",""
"7720312","8.6966","0.0004","8.7794","0.0004","20.5773","0.001","80.5648","0.0014","79.647","0.0014","88.3127","0.0014","1524.61","0.12","100.15","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C8.5 H18 F1.5 K0.5 N0.25 O5 S0.5 -","- C8.5 H18 F1.5 K0.5 N0.25 O5 S0.5 -","- C34 H72 F6 K2 N O20 S2 -","4","2","","Geysens, Pieter; Heyns, Roy; Markowski, Robert; Ingenmey, Johannes; Van Meervelt, Luc; Vlad, Alexandru; Kirchner, Barbara; Fransaer, Jan; Binnemans, Koen","Solvation structures of potassium bis(trifluoromethylsulfonyl)imide-glyme highly concentrated electrolytes and cycling on organic cathodes.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3346","3362","10.1039/d5dt02781k","","","0.56086","AgKα","","0.0679","0.0657","","","0.1974","0.2003","","","","","","1.049","","","","has coordinates,has disorder","304611","2026-02-24","23:58:17",""
"7720313","10.2471","0.0003","10.8285","0.0003","19.6984","0.0006","90","","100.565","0.002","90","","2148.69","0.11","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H38 Au2 Co F6 P3 -","- C46 H38 Au2 Co F6 P3 -","- C92 H76 Au4 Co2 F12 P6 -","2","1","","Menia, D.; Neururer, F. R.; Wurst, K.; Lippmann, P.; Esarev, I. V.; Seidl, M.; Ott, I.; Podewitz, M.; Hohloch, S.; Bildstein, B.","Cobalt-based metallo-mesoionic carbene gold complexes with antiproliferative effects.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3259","3265","10.1039/d5dt02549d","","","0.71073","MoKα","","0.0146","0.0142","","","0.0328","0.033","","","","","","0.8168","","","","has coordinates","304612","2026-02-24","23:59:53",""
"7720314","18.8509","0.0006","18.2773","0.0006","19.9621","0.0006","90","","107.105","0.001","90","","6573.6","0.4","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H83 Au2 Co F6 N5 P -","- C66 H83 Au2 Co F6 N5 P -","- C264 H332 Au8 Co4 F24 N20 P4 -","4","1","","Menia, D.; Neururer, F. R.; Wurst, K.; Lippmann, P.; Esarev, I. V.; Seidl, M.; Ott, I.; Podewitz, M.; Hohloch, S.; Bildstein, B.","Cobalt-based metallo-mesoionic carbene gold complexes with antiproliferative effects.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3259","3265","10.1039/d5dt02549d","","","0.71073","MoKα","","0.0242","0.0191","","","0.044","0.046","","","","","","1.029","","","","has coordinates","304612","2026-02-24","23:59:53",""
"7720315","7.5721","0.0003","10.2081","0.0004","16.7183","0.0006","89.107","0.001","82.765","0.001","68.71","0.001","1193.86","0.08","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H26 Au2 Co F6 P3 -","- C16 H26 Au2 Co F6 P3 -","- C32 H52 Au4 Co2 F12 P6 -","2","1","","Menia, D.; Neururer, F. R.; Wurst, K.; Lippmann, P.; Esarev, I. V.; Seidl, M.; Ott, I.; Podewitz, M.; Hohloch, S.; Bildstein, B.","Cobalt-based metallo-mesoionic carbene gold complexes with antiproliferative effects.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3259","3265","10.1039/d5dt02549d","","","0.71073","MoKα","","0.0322","0.0268","","","0.0663","0.0691","","","","","","1.045","","","","has coordinates,has disorder","304612","2026-02-24","23:59:53",""
"7720316","10.5205","0.0004","16.7597","0.0006","21.5735","0.0009","90","","90","","90","","3803.8","0.3","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 Au2 Co F6 N4 P -","- C36 H44 Au2 Co F6 N4 P -","- C144 H176 Au8 Co4 F24 N16 P4 -","4","1","","Menia, D.; Neururer, F. R.; Wurst, K.; Lippmann, P.; Esarev, I. V.; Seidl, M.; Ott, I.; Podewitz, M.; Hohloch, S.; Bildstein, B.","Cobalt-based metallo-mesoionic carbene gold complexes with antiproliferative effects.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3259","3265","10.1039/d5dt02549d","","","0.71073","MoKα","","0.0247","0.0231","","","0.0544","0.0551","","","","","","1.112","","","","has coordinates","304612","2026-02-24","23:59:53",""
"7720317","10.3167","0.0003","18.8606","0.0006","12.9706","0.0005","90","","100.561","0.001","90","","2481.06","0.14","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 Au Co F6 N2 P -","- C23 H27 Au Co F6 N2 P -","- C92 H108 Au4 Co4 F24 N8 P4 -","4","1","","Menia, D.; Neururer, F. R.; Wurst, K.; Lippmann, P.; Esarev, I. V.; Seidl, M.; Ott, I.; Podewitz, M.; Hohloch, S.; Bildstein, B.","Cobalt-based metallo-mesoionic carbene gold complexes with antiproliferative effects.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3259","3265","10.1039/d5dt02549d","","","0.71073","MoKα","","0.0182","0.0166","","","0.0388","0.0395","","","","","","1.05","","","","has coordinates","304612","2026-02-24","23:59:53",""
"7720318","11.0209","0.0004","12.9996","0.0005","19.0417","0.0007","90","","90","","90","","2728.05","0.18","173","2","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 Au Co F6 P2 -","- C28 H24 Au Co F6 P2 -","- C112 H96 Au4 Co4 F24 P8 -","4","1","","Menia, D.; Neururer, F. R.; Wurst, K.; Lippmann, P.; Esarev, I. V.; Seidl, M.; Ott, I.; Podewitz, M.; Hohloch, S.; Bildstein, B.","Cobalt-based metallo-mesoionic carbene gold complexes with antiproliferative effects.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3259","3265","10.1039/d5dt02549d","","","0.71073","MoKα","","0.0207","0.0187","","","0.0477","0.0483","","","","","","1.0536","","","","has coordinates,has disorder","304612","2026-02-24","23:59:54",""
"7720319","15.328","0.0007","13.7476","0.0005","19.31","0.0008","90","","112.457","0.001","90","","3760.5","0.3","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H45 Au Co F6 N2 P -","- C37 H45 Au Co F6 N2 P -","- C148 H180 Au4 Co4 F24 N8 P4 -","4","1","","Menia, D.; Neururer, F. R.; Wurst, K.; Lippmann, P.; Esarev, I. V.; Seidl, M.; Ott, I.; Podewitz, M.; Hohloch, S.; Bildstein, B.","Cobalt-based metallo-mesoionic carbene gold complexes with antiproliferative effects.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3259","3265","10.1039/d5dt02549d","","","0.71073","MoKα","","0.0333","0.0239","","","0.051","0.0557","","","","","","1.0235","","","","has coordinates,has disorder","304612","2026-02-24","23:59:54",""
"7720320","6.0802","0.0003","29.753","0.0013","15.7206","0.0006","90","","90.991","0.002","90","","2843.5","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","mu-sulfato-di-copper-bis-1-(2-Pyridylazo)-2-naphtholato","","- C30 H24 Cu2 N6 O8 S -","- C30 H24 Cu2 N6 O8 S -","- C120 H96 Cu8 N24 O32 S4 -","4","1","","Goudjil, Meriem; Mattei, Carlo Andrea; Tacconi, Leonardo; Chelazzi, Laura; Perfetti, Mauro","Unusual slow magnetic relaxation in a sulfate-bridged copper(II) complex with 1-(2-pyridylazo)-2-naphthol ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3336","3345","10.1039/d6dt00068a","","x-ray","1.54178","CuKα","","0.0568","0.0503","","","0.1438","0.1482","","","","","","1.086","","","","has coordinates","304613","2026-02-25","00:00:23",""
"7720321","6.4703","0.0013","12.839","0.0007","20.797","0.004","90","","90","","90","","1727.7","0.5","293","2","293","2","","","","","","","","6","P b n m","-P 2c 2ab","62","","","","- C4 H14 Cl2 I4 N2 Pb -","- C4 H14 Cl2 I4 N2 Pb -","- C16 H56 Cl8 I16 N8 Pb4 -","4","0.5","","Yang, Linfei; Gan, Xiaoyan; Zhao, Gang; Huang, Qiang; Liao, Jianhua; Wang, Changsheng; Liu, Hanxing","Halide exchange in (ClEA)<sub>2</sub>PbI<sub>4</sub> and its effect on the structural and electronic properties of perovskite layers.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4259","4268","10.1039/d5dt03099d","","x-ray","0.71073","MoKα","","","0.0395","","","","0.0984","","","","","","1.073","","","","has coordinates","305364","2026-04-05","12:03:42",""
"7720322","14.6027","0.0006","21.7734","0.0005","14.8966","0.0006","90","","118.517","0.005","90","","4161.7","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 B Br2 F2 Mn N4 O2 -","- C46 H44 B Br2 F2 Mn N4 O2 -","- C184 H176 B4 Br8 F8 Mn4 N16 O8 -","4","1","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.0816","0.0486","","","0.0999","0.1121","","","","","","1.041","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720323","15.203","0.0004","22.844","0.0005","14.1868","0.0004","90","","115.065","0.003","90","","4463","0.2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H44 B I4 Mn N4 O2 -","- C46 H44 B I4 Mn N4 O2 -","- C184 H176 B4 I16 Mn4 N16 O8 -","4","1","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.0325","0.0303","","","0.0611","0.0628","","","","","","1.024","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720324","14.6442","0.0007","21.9152","0.0008","14.9298","0.0005","90","","118.679","0.005","90","","4203.6","0.4","160","2","160","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 B Br2 F2 Mn N4 O2 -","- C46 H44 B Br2 F2 Mn N4 O2 -","- C184 H176 B4 Br8 F8 Mn4 N16 O8 -","4","1","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.0894","0.0509","","","0.0919","0.1049","","","","","","1.039","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720325","13.5019","0.0004","14.1532","0.0004","23.1498","0.0007","79.988","0.003","86.273","0.003","76.064","0.002","4227","0.2","100.15","","100.15","","","","","","","","","8","P 1","P 1","1","","","","- C46 H44 B Br2 Cl2 Mn N4 O2 -","- C46 H44 B Br2 Cl2 Mn N4 O2 -","- C184 H176 B4 Br8 Cl8 Mn4 N16 O8 -","4","4","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.0702","0.0498","","","0.1158","0.12","","","","","","1.031","","","","has coordinates","305399","2026-04-05","12:14:40",""
"7720326","14.7203","0.0008","22.2056","0.001","14.9807","0.0008","90","","118.807","0.007","90","","4290.8","0.5","300","2","300","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 B Br2 F2 Mn N4 O2 -","- C46 H44 B Br2 F2 Mn N4 O2 -","- C184 H176 B4 Br8 F8 Mn4 N16 O8 -","4","1","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.1052","0.0545","","","0.0975","0.1192","","","","","","1.082","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720327","15.2521","0.0003","22.9461","0.0003","14.2321","0.0003","90","","115.189","0.002","90","","4507.26","0.16","170","2","170","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H44 B I4 Mn N4 O2 -","- C46 H44 B I4 Mn N4 O2 -","- C184 H176 B4 I16 Mn4 N16 O8 -","4","1","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.0298","0.0275","","","0.0619","0.0633","","","","","","1.041","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720328","14.6848","0.0008","22.1385","0.001","14.9688","0.0007","90","","118.962","0.007","90","","4257.8","0.5","240","2","240","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 B Br2 F2 Mn N4 O2 -","- C46 H44 B Br2 F2 Mn N4 O2 -","- C184 H176 B4 Br8 F8 Mn4 N16 O8 -","4","1","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.1272","0.0584","","","0.1017","0.1265","","","","","","1.062","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720329","14.8323","0.0004","22.6587","0.0005","14.1871","0.0005","90","","116.578","0.004","90","","4264.2","0.3","170","2","170","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C46 H44 B Br2 Cl2 Mn N4 O2 -","- C46 H44 B Br2 Cl2 Mn N4 O2 -","- C184 H176 B4 Br8 Cl8 Mn4 N16 O8 -","4","2","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.0693","0.042","","","0.0846","0.0969","","","","","","1.01","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720330","15.2632","0.0005","23.0148","0.0006","14.2934","0.0005","90","","115.259","0.004","90","","4540.9","0.3","240","2","240","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H44 B I4 Mn N4 O2 -","- C46 H44 B I4 Mn N4 O2 -","- C184 H176 B4 I16 Mn4 N16 O8 -","4","1","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.0392","0.0345","","","0.0684","0.0714","","","","","","1.025","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720331","14.9035","0.0007","22.8438","0.0009","14.3442","0.0008","90","","116.755","0.006","90","","4360.7","0.4","300","2","300","1","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C46 H44 B Br2 Cl2 Mn N4 O2 -","- C46 H44 B Br2 Cl2 Mn N4 O2 -","- C184 H176 B4 Br8 Cl8 Mn4 N16 O8 -","4","1","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.0566","0.0427","","","0.0988","0.1068","","","","","","0.986","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720332","14.7783","0.001","22.2504","0.0016","15.0138","0.0009","90","","118.66","0.008","90","","4332","0.6","350","2","350","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 B Br2 F2 Mn N4 O2 -","- C46 H44 B Br2 F2 Mn N4 O2 -","- C184 H176 B4 Br8 F8 Mn4 N16 O8 -","4","1","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.1247","0.0568","","","0.0881","0.1117","","","","","","1.058","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720333","14.8718","0.0005","22.7589","0.0006","14.2705","0.0005","90","","116.662","0.004","90","","4316.5","0.3","240","2","240","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C46 H44 B Br2 Cl2 Mn N4 O2 -","- C46 H44 B Br2 Cl2 Mn N4 O2 -","- C184 H176 B4 Br8 Cl8 Mn4 N16 O8 -","4","2","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.0721","0.0431","","","0.1013","0.1186","","","","","","1.012","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720334","4.8341","0.0004","15.6709","0.0013","7.643","0.0005","90","","90","","90","","578.99","0.08","300","","300","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag Cl Cs I -","- Ag Cl Cs I -","- Ag4 Cl4 Cs4 I4 -","4","0.25","","Cheng, Bingliang; Ma, Wenjuan; Hu, Cong; Lv, Yuhan; Li, Zongxiao; Zhao, Jianchao; Bo, Tao; Lin, Wenwen","Realization of the transition from an indirect band gap to a direct band gap through halogen regulation in the Cs-Ag-X system.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4402","4405","10.1039/d6dt00040a","","","0.71073","MoKα","","0.0241","0.0228","","","0.0512","0.0517","","","","","","1.0297","","","","has coordinates","305380","2026-04-05","12:10:11",""
"7720335","10.08","0.0016","4.8981","0.0008","19.635","0.003","90","","90","","90","","969.4","0.3","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag Br2 Cs2 I -","- Ag Br2 Cs2 I -","- Ag4 Br8 Cs8 I4 -","4","0.5","","Cheng, Bingliang; Ma, Wenjuan; Hu, Cong; Lv, Yuhan; Li, Zongxiao; Zhao, Jianchao; Bo, Tao; Lin, Wenwen","Realization of the transition from an indirect band gap to a direct band gap through halogen regulation in the Cs-Ag-X system.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4402","4405","10.1039/d6dt00040a","","","0.71073","MoKα","","0.0182","0.0173","","","0.0391","0.0394","","","","","","1.0708","","","","has coordinates","305380","2026-04-05","12:10:11",""
"7720341","10.9652","0.0018","10.781","0.002","25.738","0.011","90","","90","","90","","3042.6","1.5","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H28 B Cl N2 -","- C12 H28 B Cl N2 -","- C96 H224 B8 Cl8 N16 -","8","1","","Shulyak, Aleksandra T.; Lukoshkova, Anna A.; Selivanov, Nikita A.; Kubasov, Alexey S.; Skabitskii, Ivan V.; Zhdanov, Andrey P.; Avdeeva, Varvara V.; Bykov, Aleksandr Yu; Zhizhin, Konstantin Yu; Kuznetsov, Nikolay T.","Unlocking the chemistry of the octahydrotriborate anion: robust synthesis, structural elucidation, and unprecedented protonation stability of diamine-substituted derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4306","4318","10.1039/d5dt02948a","","","0.71073","MoKα","","0.1188","0.052","","","0.116","0.159","","","","","","1.01","","","","has coordinates","305354","2026-04-05","12:01:10",""
"7720342","7.6448","0.0006","18.0943","0.0014","19.011","0.002","90","","90","","90","","2629.7","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H19 B3 N2 -","- C12 H19 B3 N2 -","- C96 H152 B24 N16 -","8","1","","Shulyak, Aleksandra T.; Lukoshkova, Anna A.; Selivanov, Nikita A.; Kubasov, Alexey S.; Skabitskii, Ivan V.; Zhdanov, Andrey P.; Avdeeva, Varvara V.; Bykov, Aleksandr Yu; Zhizhin, Konstantin Yu; Kuznetsov, Nikolay T.","Unlocking the chemistry of the octahydrotriborate anion: robust synthesis, structural elucidation, and unprecedented protonation stability of diamine-substituted derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4306","4318","10.1039/d5dt02948a","","","0.71073","MoKα","","0.096","0.0645","","","0.1392","0.1585","","","","","","1.03","","","","has coordinates","305354","2026-04-05","12:01:10",""
"7720343","9.3751","0.0007","9.4843","0.0007","21.4916","0.0015","90","","90","","90","","1911","0.2","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H20 B3 N -","- C6 H20 B3 N -","- C48 H160 B24 N8 -","8","1","","Shulyak, Aleksandra T.; Lukoshkova, Anna A.; Selivanov, Nikita A.; Kubasov, Alexey S.; Skabitskii, Ivan V.; Zhdanov, Andrey P.; Avdeeva, Varvara V.; Bykov, Aleksandr Yu; Zhizhin, Konstantin Yu; Kuznetsov, Nikolay T.","Unlocking the chemistry of the octahydrotriborate anion: robust synthesis, structural elucidation, and unprecedented protonation stability of diamine-substituted derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4306","4318","10.1039/d5dt02948a","","","0.71073","MoKα","","0.0719","0.0525","","","0.12","0.1317","","","","","","1.041","","","","has coordinates","305354","2026-04-05","12:01:10",""
"7720344","7.411","0.0004","8.4211","0.0005","10.3215","0.0007","101.507","0.003","94.477","0.003","97.303","0.002","622.53","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C5 H22 B3 I N2 -","- C5 H22 B3 I N2 -","- C10 H44 B6 I2 N4 -","2","1","","Shulyak, Aleksandra T.; Lukoshkova, Anna A.; Selivanov, Nikita A.; Kubasov, Alexey S.; Skabitskii, Ivan V.; Zhdanov, Andrey P.; Avdeeva, Varvara V.; Bykov, Aleksandr Yu; Zhizhin, Konstantin Yu; Kuznetsov, Nikolay T.","Unlocking the chemistry of the octahydrotriborate anion: robust synthesis, structural elucidation, and unprecedented protonation stability of diamine-substituted derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4306","4318","10.1039/d5dt02948a","","","0.71073","MoKα","","0.0316","0.0286","","","0.0687","0.0705","","","","","","1.033","","","","has coordinates","305354","2026-04-05","12:01:10",""
"7720345","10.764","0.0003","7.0083","0.0002","16.6109","0.0005","90","","97.751","0.001","90","","1241.63","0.06","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H24 B3 Cl N2 -","- C6 H24 B3 Cl N2 -","- C24 H96 B12 Cl4 N8 -","4","1","","Shulyak, Aleksandra T.; Lukoshkova, Anna A.; Selivanov, Nikita A.; Kubasov, Alexey S.; Skabitskii, Ivan V.; Zhdanov, Andrey P.; Avdeeva, Varvara V.; Bykov, Aleksandr Yu; Zhizhin, Konstantin Yu; Kuznetsov, Nikolay T.","Unlocking the chemistry of the octahydrotriborate anion: robust synthesis, structural elucidation, and unprecedented protonation stability of diamine-substituted derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4306","4318","10.1039/d5dt02948a","","","0.71073","MoKα","","0.0241","0.0223","","","0.0617","0.0626","","","","","","1.03","","","","has coordinates","305354","2026-04-05","12:01:10",""
"7720346","8.3527","0.0003","5.6597","0.0002","16.8327","0.0006","90","","94.605","0.004","90","","793.18","0.05","293","2","293","2","","","","","","","analogue of fumarolic shchurovskyite","5","P 1 2/c 1","-P 2yc","13","potassium calcium copper oxyphosphate","","","- Ca0.87 Cu6.13 K2 O18 P4 -","- Ca0.876 Cu6.124 K2 O18 P4 -","- Ca1.752 Cu12.248 K4 O36 P8 -","2","0.5","","Kiriukhina, G. V.; Yakubovich, O. V.; Shvanskaya, L. V.; Vasiliev, A. N.","Crystal structure and physical properties of shchurovskyite-related K<sub>2</sub>CaCu<sub>6</sub>O<sub>2</sub>(PO<sub>4</sub>)<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4951","4960","10.1039/d6dt00109b","","","0.71073","MoKα","","0.0542","0.0381","","","0.0624","0.0664","","","","","","1.213","","","","has coordinates","305389","2026-04-05","12:11:45",""
"7720358","20.5753","0.0014","12.4895","0.0008","22.0707","0.0017","90","","111.471","0.003","90","","5278","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H50 Cl13 N5 Os -","- C45 H50 Cl13 N5 Os -","- C180 H200 Cl52 N20 Os4 -","4","1","","Parche, Joshua; Sievers, Robin; Streit, Tim-Niclas; Malischewski, Moritz","Accessing osmium(VI) nitrido complexes with N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5161","5167","10.1039/d6dt00234j","","x-ray","0.71073","MoKα","","0.0659","0.0453","","","0.104","0.1146","","","","","","1.028","","","","has coordinates","305375","2026-04-05","12:09:02",""
"7720359","25.7601","0.0009","11.7745","0.0005","20.9785","0.0009","90","","108.121","0.001","90","","6047.4","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H68 Cl4 N14 O3 Os -","- C54 H68 Cl4 N14 O3 Os -","- C216 H272 Cl16 N56 O12 Os4 -","4","0.5","","Parche, Joshua; Sievers, Robin; Streit, Tim-Niclas; Malischewski, Moritz","Accessing osmium(VI) nitrido complexes with N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5161","5167","10.1039/d6dt00234j","","","0.71073","MoKα","","0.0719","0.0576","","","0.1365","0.1478","","","","","","1.103","","","","has coordinates","305375","2026-04-05","12:09:02",""
"7720360","19.8661","0.001","14.6551","0.0007","14.3853","0.0006","90","","90","","90","","4188.1","0.3","100","","100","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C42 H44 Cl6 F N5 Os -","- C42 H44 Cl6 F N5 Os -","- C168 H176 Cl24 F4 N20 Os4 -","4","0.5","","Parche, Joshua; Sievers, Robin; Streit, Tim-Niclas; Malischewski, Moritz","Accessing osmium(VI) nitrido complexes with N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5161","5167","10.1039/d6dt00234j","","","0.71073","MoKα","","0.0721","0.0432","","","0.0924","0.1172","","","","","","1.115","","","","has coordinates","305375","2026-04-05","12:09:02",""
"7720361","20.03","0.004","14.421","0.003","16.435","0.004","90","","93.164","0.008","90","","4740.1","1.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 Cl4 F3 N5 Os -","- C47 H56 Cl4 F3 N5 Os -","- C188 H224 Cl16 F12 N20 Os4 -","4","1","","Parche, Joshua; Sievers, Robin; Streit, Tim-Niclas; Malischewski, Moritz","Accessing osmium(VI) nitrido complexes with N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5161","5167","10.1039/d6dt00234j","","","0.71073","MoKα","","0.0575","0.0406","","","0.0964","0.1152","","","","","","1.131","","","","has coordinates","305375","2026-04-05","12:09:02",""
"7720362","9.0171","0.0003","14.1829","0.0003","15.7288","0.0003","104.693","0.0018","92.663","0.002","106.224","0.002","1853.31","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H40 Br12 N4 Sb2 -","- C18 H40 Br12 N4 Sb2 -","- C36 H80 Br24 N8 Sb4 -","2","1","","Shestimerova, Tatiana A.; Klykova, Angelina P.; Medved'ko, Alexey V.; Khrustalev, Victor N.; Bykov, Mikhail A.; Pankratov, Denis A.; Presniakov, Igor A.; Kuznetsov, Alexey N.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Tailoring in-gap states for optimizing the band gap in mixed-valent bromometallates, towards lead-free photovoltaics.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5013","5026","10.1039/d5dt02874d","","","1.54184","CuKα","","0.0521","0.0501","","","0.1304","0.133","","","","","","1.01","","","","has coordinates","305392","2026-04-05","12:12:12",""
"7720363","15.3442","0.0002","9.77582","0.00017","13.11027","0.00018","90","","90.5767","0.0013","90","","1966.47","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H44 Bi Br12 N4 O2 Sb -","- C18 H44 Bi Br12 N4 O2 Sb -","- C36 H88 Bi2 Br24 N8 O4 Sb2 -","2","0.5","","Shestimerova, Tatiana A.; Klykova, Angelina P.; Medved'ko, Alexey V.; Khrustalev, Victor N.; Bykov, Mikhail A.; Pankratov, Denis A.; Presniakov, Igor A.; Kuznetsov, Alexey N.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Tailoring in-gap states for optimizing the band gap in mixed-valent bromometallates, towards lead-free photovoltaics.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5013","5026","10.1039/d5dt02874d","","","1.54184","CuKα","","0.0724","0.0717","","","0.1811","0.1818","","","","","","1.044","","","","has coordinates","305392","2026-04-05","12:12:12",""
"7720364","8.5678","0.00019","15.8051","0.0003","13.6322","0.0003","90","","96.1095","0.0019","90","","1835.52","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H20 Br6 N2 -","- C9 H20 Br6 N2 -","- C36 H80 Br24 N8 -","4","1","","Shestimerova, Tatiana A.; Klykova, Angelina P.; Medved'ko, Alexey V.; Khrustalev, Victor N.; Bykov, Mikhail A.; Pankratov, Denis A.; Presniakov, Igor A.; Kuznetsov, Alexey N.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Tailoring in-gap states for optimizing the band gap in mixed-valent bromometallates, towards lead-free photovoltaics.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5013","5026","10.1039/d5dt02874d","","","1.54184","CuKα","","0.0588","0.0573","","","0.1598","0.1608","","","","","","1.129","","","","has coordinates,has disorder","305392","2026-04-05","12:12:12",""
"7720365","13.373","0.003","13.859","0.004","13.464","0.005","90","","119.197","0.009","90","","2178.3","1.2","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cl2 N4 O5 Zn -","- C19 H20 Cl2 N4 O5 Zn -","- C76 H80 Cl8 N16 O20 Zn4 -","4","1","","Kim, Han Sol; Lee, Soo Suk","Single-site hydrogen-bond modulation enhances catalytic ester hydrolysis in a Zn(II)-TPA scaffold.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5004","5012","10.1039/d5dt03058g","","","0.71073","MoKα","","0.0885","0.0588","","","0.1539","0.1785","","","","","","1.0774","","","","has coordinates,has disorder","305400","2026-04-05","12:14:55",""
"7720384","8.888","0.002","7.1684","0.0013","16.592","0.004","90","","93.69","0.015","90","","1054.9","0.4","289","2","289","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C6 H32 Cl8 N4 O4 Ru -","- C6 H24 Cl8 N4 O4 Ru -","- C12 H48 Cl16 N8 O8 Ru2 -","2","0.25","","Saikia, Himangshu Pratim; Likson, Ankita; Anand, Khyati; Das, Bidyut; Tiwari, Abinash; Dey, Sandeep Kumar; Gil-Hernández, Beatriz; Mudoi, Prashurya Pritam","Deciphering cation-driven structure-property correlations in 0D hybrid ruthenium halide perovskites.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4780","4791","10.1039/d5dt02797g","","","0.71073","MoKα","","0.0391","0.0378","","","0.1091","0.111","","","","","","1.105","","","","has coordinates,has disorder","305398","2026-04-05","12:14:02",""
"7720385","7.4977","0.0013","9.2251","0.0016","9.8296","0.0017","111.591","0.005","109.533","0.005","94.3","0.005","580.39","0.18","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H32 Cl8 N4 O2 Ru -","- C8 H28 Cl8 N4 O2 Ru -","- C8 H28 Cl8 N4 O2 Ru -","1","0.5","","Saikia, Himangshu Pratim; Likson, Ankita; Anand, Khyati; Das, Bidyut; Tiwari, Abinash; Dey, Sandeep Kumar; Gil-Hernández, Beatriz; Mudoi, Prashurya Pritam","Deciphering cation-driven structure-property correlations in 0D hybrid ruthenium halide perovskites.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4780","4791","10.1039/d5dt02797g","","","0.71073","MoKα","","0.0205","0.0183","","","0.047","0.0488","","","","","","1.151","","","","has coordinates,has disorder","305398","2026-04-05","12:14:02",""
"7720386","8.0705","0.0019","10.021","0.003","10.374","0.003","90","","90.593","0.007","90","","838.9","0.4","300","2","300","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H22 Cl7 N4 O Ru -","- C4 H20 Cl7 N4 O Ru -","- C8 H40 Cl14 N8 O2 Ru2 -","2","0.5","","Saikia, Himangshu Pratim; Likson, Ankita; Anand, Khyati; Das, Bidyut; Tiwari, Abinash; Dey, Sandeep Kumar; Gil-Hernández, Beatriz; Mudoi, Prashurya Pritam","Deciphering cation-driven structure-property correlations in 0D hybrid ruthenium halide perovskites.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4780","4791","10.1039/d5dt02797g","","","0.71073","MoKα","","0.0312","0.0271","","","0.0727","0.0777","","","","","","1.114","","","","has coordinates","305398","2026-04-05","12:14:02",""
"7720387","17.0471","0.0011","8.4619","0.0005","16.6401","0.0009","90","","116.328","0.005","90","","2151.4","0.2","100","2","100","2","","","","","","","synthetical product","6","C 1 2/c 1","-C 2yc","15","(mu2-oxo)-bis[dichloro-bis(dimethyl sulfide)-oxo-rhenium(V)]","(mu2-oxo)-bis[dichloro-bis(dimethyl sulfide)-oxo-rhenium(V)]","","- C8 H24 Cl4 O3 Re2 S4 -","- C8 H24 Cl4 O3 Re2 S4 -","- C32 H96 Cl16 O12 Re8 S16 -","4","0.5","","Doliner, Tobias A.; Hartmann, Peter E.; Oberwinkler, Gernot; Belaj, Ferdinand; Dupé, Antoine; Boese, A. Daniel; Schachner, Jörg A","A di-nuclear μ-oxido rhenium(VI) complex: from deep purple to catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4547","4559","10.1039/d6dt00039h","","","0.71073","MoKα","","0.0515","0.031","","","0.0802","0.0883","","","","","","1.071","","","","has coordinates","305383","2026-04-05","12:10:37",""
"7720388","12.1609","0.0014","9.9571","0.0013","18.691","0.002","90","","103.208","0.007","90","","2203.4","0.5","100","2","100","2","","","","","","","synthetical product","6","P 1 21/n 1","-P 2yn","14","[2,4-di(tert-butyl)-6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pheno-lato-N,O]-dichloro-dioxo-rhenium(VII)","[2,4-di(tert-butyl)-6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pheno-lato-N,O]-dichloro-dioxo-rhenium(VII)","","- C19 H28 Cl2 N O4 Re -","- C19 H28 Cl2 N O4 Re -","- C76 H112 Cl8 N4 O16 Re4 -","4","1","","Doliner, Tobias A.; Hartmann, Peter E.; Oberwinkler, Gernot; Belaj, Ferdinand; Dupé, Antoine; Boese, A. Daniel; Schachner, Jörg A","A di-nuclear μ-oxido rhenium(VI) complex: from deep purple to catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4547","4559","10.1039/d6dt00039h","","","0.71073","MoKα","","0.0534","0.0446","","","0.1151","0.1187","","","","","","1.011","","","","has coordinates","305383","2026-04-05","12:10:37",""
"7720389","15.05","0.0002","19.9825","0.0002","16.4972","0.0002","90","","100.322","0.001","90","","4881.02","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(mu-oxido)-bis((2,4-t-butyl-6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenolato)-dichlorido-oxido-rhenium(VI)) cyclohexane solvate","","- C44 H68 Cl4 N2 O7 Re2 -","- C44 H68 Cl4 N2 O7 Re2 -","- C176 H272 Cl16 N8 O28 Re8 -","4","1","","Doliner, Tobias A.; Hartmann, Peter E.; Oberwinkler, Gernot; Belaj, Ferdinand; Dupé, Antoine; Boese, A. Daniel; Schachner, Jörg A","A di-nuclear μ-oxido rhenium(VI) complex: from deep purple to catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4547","4559","10.1039/d6dt00039h","","x-ray","1.54184","CuKα","","0.0409","0.0386","","","0.1024","0.1039","","","","","","1.038","","","","has coordinates,has disorder","305383","2026-04-05","12:10:37",""
"7720390","10.0035","0.0002","11.1092","0.0002","12.0885","0.0003","67.984","0.002","83.086","0.002","89.813","0.002","1235.11","0.05","100","0.11","100","0.11","","","","","","","","7","P -1","-P 1","2","","(2,4-t-butyl-6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenolato)-dichlorido-(dimethyl sulfide)-oxido-rhenium(v)","","- C21 H34 Cl2 N O3 Re S -","- C21 H34 Cl2 N O3 Re S -","- C42 H68 Cl4 N2 O6 Re2 S2 -","2","1","","Doliner, Tobias A.; Hartmann, Peter E.; Oberwinkler, Gernot; Belaj, Ferdinand; Dupé, Antoine; Boese, A. Daniel; Schachner, Jörg A","A di-nuclear μ-oxido rhenium(VI) complex: from deep purple to catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4547","4559","10.1039/d6dt00039h","","x-ray","0.71073","MoKα","","0.0301","0.0257","","","0.0523","0.0531","","","","","","1.206","","","","has coordinates","305383","2026-04-05","12:10:37",""
"7720391","16.2873","0.0001","10.7879","0.0001","22.2775","0.0002","90","","91.278","0.001","90","","3913.31","0.06","99.9","0.8","99.9","0.8","","","","","","","","7","P 1 21 1","P 2yb","4","","(2,4-t-butyl-6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenolato)-dichlorido-oxido-triphenylphosphine-rhenium(V)","","- C37 H43 Cl2 N O3 P Re -","- C37 H43 Cl2 N O3 P Re -","- C148 H172 Cl8 N4 O12 P4 Re4 -","4","2","","Doliner, Tobias A.; Hartmann, Peter E.; Oberwinkler, Gernot; Belaj, Ferdinand; Dupé, Antoine; Boese, A. Daniel; Schachner, Jörg A","A di-nuclear μ-oxido rhenium(VI) complex: from deep purple to catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4547","4559","10.1039/d6dt00039h","","x-ray","1.54184","CuKα","","0.0506","0.0474","","","0.1232","0.1255","","","","","","1.052","","","","has coordinates,has disorder","305383","2026-04-05","12:10:37",""
"7720392","7.8683","0.0005","12.6536","0.0008","12.0886","0.0007","90","","103.407","0.002","90","","1170.77","0.13","100","2","100","2","","","","","","","synthetical product","6","P 1 21/c 1","-P 2ybc","14","trichloro-bis(dimethyl sulfide)-oxo-rhenium(V)","trichloro-bis(dimethyl sulfide)-oxo-rhenium(V)","","- C4 H12 Cl3 O Re S2 -","- C4 H12 Cl3 O Re S2 -","- C16 H48 Cl12 O4 Re4 S8 -","4","1","","Doliner, Tobias A.; Hartmann, Peter E.; Oberwinkler, Gernot; Belaj, Ferdinand; Dupé, Antoine; Boese, A. Daniel; Schachner, Jörg A","A di-nuclear μ-oxido rhenium(VI) complex: from deep purple to catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4547","4559","10.1039/d6dt00039h","","","0.71073","MoKα","","0.0316","0.0267","","","0.0668","0.0694","","","","","","1.045","","","","has coordinates","305383","2026-04-05","12:10:37",""
"7720393","17.6599","0.0009","19.3252","0.0013","19.5497","0.001","69.345","0.002","66.66","0.002","85.478","0.002","5717.8","0.6","230","","230","","","","","","","","","6","P -1","-P 1","2","","","","- C84.6 H154.4 Cl3 La3 N18.8 O41 -","- C84.6 H154.4 Cl3 La3 N18.8 O41 -","- C169.2 H308.8 Cl6 La6 N37.6 O82 -","2","1","","Evsiunina, Mariia V.; Kalinin, Mikhail A.; Kalle, Paulina; Iakovlev, Danila A.; Kalmykov, Stepan N.; Matveev, Petr I.; Borisova, Nataliya E.","Rigidified cyclic diglycolamides: coordination and extraction of trivalent f-elements.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4638","4656","10.1039/d6dt00275g","","","0.71073","MoKα","","0.0697","0.0462","","","0.0946","0.1056","","","","","","1.016","","","","has coordinates,has disorder","305386","2026-04-05","12:11:09",""
"7720394","11.42","0.002","11.3445","0.0019","13.155","0.003","96.111","0.015","103.119","0.015","89.988","0.015","1649.9","0.6","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C77 H64 N20 V2 -","- C77 H64 N20 V2 -","- C77 H64 N20 V2 -","1","0.5","","Baumgärtner, Lena; Feldmann, Claus","Homoleptic complexes of vanadium and N-heterocycles made <i>via</i> oxidation of vanadium nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4856","4866","10.1039/d6dt00230g","","","0.71073","MoKα","","0.0601","0.0379","","","0.0826","0.0859","","","","","","0.803","","","","has coordinates,has disorder","305388","2026-04-05","12:11:42",""
"7720395","13.852","0.003","13.732","0.002","18.117","0.004","90","","98.252","0.018","90","","3410.5","1.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 N4 Na V -","- C48 H32 N4 Na V -","- C192 H128 N16 Na4 V4 -","4","0.5","","Baumgärtner, Lena; Feldmann, Claus","Homoleptic complexes of vanadium and N-heterocycles made <i>via</i> oxidation of vanadium nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4856","4866","10.1039/d6dt00230g","","","0.71073","MoKα","","0.0482","0.0267","","","0.0467","0.0485","","","","","","0.731","","","","has coordinates","305388","2026-04-05","12:11:42",""
"7720396","14.967","0.003","15.205","0.002","11.065","0.002","90","","99.05","0.015","90","","2486.8","0.8","210","","210","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N6 V -","- C30 H24 N6 V -","- C120 H96 N24 V4 -","4","1","","Baumgärtner, Lena; Feldmann, Claus","Homoleptic complexes of vanadium and N-heterocycles made <i>via</i> oxidation of vanadium nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4856","4866","10.1039/d6dt00230g","","","0.71073","MoKα","","0.1231","0.0575","","","0.1449","0.1809","","","","","","0.829","","","","has coordinates","305388","2026-04-05","12:11:42",""
"7720397","10.2347","0.0005","13.5883","0.0008","20.2593","0.0008","90","","103.303","0.004","90","","2741.9","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N6 V -","- C36 H24 N6 V -","- C144 H96 N24 V4 -","4","1","","Baumgärtner, Lena; Feldmann, Claus","Homoleptic complexes of vanadium and N-heterocycles made <i>via</i> oxidation of vanadium nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4856","4866","10.1039/d6dt00230g","","","0.71073","MoKα","","0.1111","0.0682","","","0.1658","0.195","","","","","","1.043","","","","has coordinates","305388","2026-04-05","12:11:42",""
"7720398","14.543","0.007","5.976","0.003","20.466","0.01","90","","97.769","0.01","90","","1762.4","1.5","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 Au2 Cl2 -","- C40 H48 Au2 Cl2 -","- C80 H96 Au4 Cl4 -","2","0.5","","Křelinová, Magda; Forté, Jérémy; Lacoma, Tom; Annesi, Giulia; Folda, Alessandra; Rigobello, Maria Pia; Salmain, Michèle; Štěpnička, Petr; Schulz, Jiří; Bertrand, Benoît","Combining gold(I/III) complexes and the ferrociphenol scaffold for the generation of bimetallic complexes with anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5038","5054","10.1039/d6dt00049e","","","0.71073","MoKα","","0.1051","0.0683","","","0.1092","0.12","","","","","","1.059","","","","has coordinates","305393","2026-04-05","12:12:16",""
"7720399","13.1491","0.0007","14.008","0.0007","14.7986","0.0008","81.866","0.002","73.881","0.002","78.051","0.002","2551.6","0.2","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H57 Au Cl2 F6 Fe N2 P2 -","- C50 H57 Au Cl2 F6 Fe N2 P2 -","- C100 H114 Au2 Cl4 F12 Fe2 N4 P4 -","2","1","","Křelinová, Magda; Forté, Jérémy; Lacoma, Tom; Annesi, Giulia; Folda, Alessandra; Rigobello, Maria Pia; Salmain, Michèle; Štěpnička, Petr; Schulz, Jiří; Bertrand, Benoît","Combining gold(I/III) complexes and the ferrociphenol scaffold for the generation of bimetallic complexes with anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5038","5054","10.1039/d6dt00049e","","","0.71073","MoKα","","0.0583","0.036","","","0.0633","0.0699","","","","","","1.006","","","","has coordinates,has disorder","305393","2026-04-05","12:12:16",""
"7720400","32.5183","0.001","18.0719","0.0002","31.6045","0.0009","90","","126.481","0.004","90","","14933.6","1","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H104 Dy8 N40 O44 -","- C108 H104 Dy8 N40 O44 -","- C432 H416 Dy32 N160 O176 -","4","0.5","","Liu, Cai-Ming; Hao, Xiang","Fixing CO<sub>2</sub> from the air to assemble Dy<sub>8</sub> zero-field single-molecule magnets and Gd<sub>8</sub> magnetocaloric molecular materials.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5055","5063","10.1039/d6dt00214e","","x-ray","1.54184","CuKα","","0.0545","0.0457","","","0.1226","0.1288","","","","","","1.038","","","","has coordinates","305390","2026-04-05","12:11:57",""
"7720401","32.5485","0.0008","18.1561","0.0004","28.8794","0.0008","90","","118.271","0.003","90","","15030.7","0.8","100","0.13","100","0.13","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H104 Gd8 N40 O44 -","- C108 H104 Gd8 N40 O44 -","- C432 H416 Gd32 N160 O176 -","4","0.5","","Liu, Cai-Ming; Hao, Xiang","Fixing CO<sub>2</sub> from the air to assemble Dy<sub>8</sub> zero-field single-molecule magnets and Gd<sub>8</sub> magnetocaloric molecular materials.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5055","5063","10.1039/d6dt00214e","","x-ray","1.54184","CuKα","","0.0778","0.0531","","","0.1394","0.1522","","","","","","1.052","","","","has coordinates","305390","2026-04-05","12:11:57",""
"7720402","11.7867","0.0002","12.4022","0.0002","13.6136","0.0002","65.148","0.001","87.54","0.001","83.234","0.001","1793.14","0.05","100","0.1","100","0.1","","","","","","","","7","P 1","P 1","1","","","","- C52 H84 Dy2 F6 N16 O22 S2 -","- C52 H84 Dy2 F6 N16 O22 S2 -","- C52 H84 Dy2 F6 N16 O22 S2 -","1","1","","Liu, Cai-Ming; Hao, Xiang","Fixing CO<sub>2</sub> from the air to assemble Dy<sub>8</sub> zero-field single-molecule magnets and Gd<sub>8</sub> magnetocaloric molecular materials.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5055","5063","10.1039/d6dt00214e","","x-ray","1.54184","CuKα","","0.04","0.0397","","","0.104","0.1044","","","","","","1.02","","","","has coordinates","305390","2026-04-05","12:11:57",""
"7720403","12.2359","0.0005","39.5973","0.0014","12.9688","0.0004","90","","93.879","0.001","90","","6269.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Ir(H)(PMe3)(tBu4POCOP)][BArF4]","","- C57 H61 B F24 Ir O2 P3 -","- C57 H61 B F24 Ir O2 P3 -","- C228 H244 B4 F96 Ir4 O8 P12 -","4","1","","Pradhan, Mitarani; Surati, Zeel Y.; Pal, Apurba Kumar; Vanka, Kumar; Jagirdar, Balaji R.","Heterolytic cleavage of the B-H bond in H<sub>3</sub>B·L (L = THF, NMe<sub>2</sub>H) by an electrophilic Ir(III) pincer complex [Ir(H)(PMe<sub>3</sub>)(<sup><i>t</i>Bu4</sup>POCOP)][BArF4].","Dalton transactions (Cambridge, England : 2003)","2026","55","1","476","491","10.1039/d5dt01780g","","","0.71073","MoKα","","0.0529","0.0436","","","0.0735","0.076","","","","","","1.139","","","","has coordinates,has disorder","304732","2026-03-04","11:02:19",""
"7720404","9.221","0.0004","8.0654","0.0003","15.8229","0.0006","90","","104.415","0.004","90","","1139.72","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br3 Cl N Pb -","- C5 H5 Br3 Cl N Pb -","- C20 H20 Br12 Cl4 N4 Pb4 -","4","1","","Selivanov, N. I.; Kevorkyants, R.; Emeline, A. V.","Structural and optoelectronic properties of quasi-1D hybrid 3-halogenopyridinium lead bromides.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2232","2241","10.1039/d5dt02637g","","x-ray","0.71073","MoKα","","0.0621","0.0344","","","0.0564","0.0609","","","","","","1.052","","","","has coordinates","304733","2026-03-04","11:06:32",""
"7720405","9.6254","0.0004","8.0836","0.0003","15.7786","0.0007","90","","105.349","0.005","90","","1183.91","0.09","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br3 I N Pb -","- C5 H5 Br3 I N Pb -","- C20 H20 Br12 I4 N4 Pb4 -","4","1","","Selivanov, N. I.; Kevorkyants, R.; Emeline, A. V.","Structural and optoelectronic properties of quasi-1D hybrid 3-halogenopyridinium lead bromides.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2232","2241","10.1039/d5dt02637g","","x-ray","0.71073","MoKα","","0.0911","0.0436","","","0.0749","0.0839","","","","","","1.015","","","","has coordinates","304733","2026-03-04","11:06:33",""
"7720406","9.3638","0.0003","8.0748","0.0002","15.7895","0.0007","90","","104.49","0.004","90","","1155.88","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br4 N Pb -","- C5 H5 Br4 N Pb -","- C20 H20 Br16 N4 Pb4 -","4","1","","Selivanov, N. I.; Kevorkyants, R.; Emeline, A. V.","Structural and optoelectronic properties of quasi-1D hybrid 3-halogenopyridinium lead bromides.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2232","2241","10.1039/d5dt02637g","","x-ray","0.71073","MoKα","","0.0347","0.0275","","","0.0627","0.0649","","","","","","1.046","","","","has coordinates","304733","2026-03-04","11:06:34",""
"7720407","8.5602","0.0003","9.1168","0.0003","11.422","0.0004","95.534","0.001","94.733","0.001","96.584","0.001","877.43","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 La2 N12 O22 -","- C22 H26 La2 N12 O22 -","- C22 H26 La2 N12 O22 -","1","0.5","","Liu, Bo-Yu; Abdukader, Ablimit; Huang, Jian-Bo; Wang, Lu-Lu; Wang, Duo-Zhi","Self-assembly of binuclear/hexanuclear lanthanide complexes for functional catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2312","2317","10.1039/d5dt02757h","","","0.71073","MoKα","","0.0331","0.0275","","","0.0636","0.0673","","","","","","1.157","","","","has coordinates","304734","2026-03-04","11:07:22",""
"7720408","8.568","0.0009","9.088","0.001","11.3279","0.0012","95.682","0.003","94.776","0.003","97.044","0.003","867.03","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N12 O22 Sm2 -","- C22 H26 N12 O22 Sm2 -","- C22 H26 N12 O22 Sm2 -","1","0.5","","Liu, Bo-Yu; Abdukader, Ablimit; Huang, Jian-Bo; Wang, Lu-Lu; Wang, Duo-Zhi","Self-assembly of binuclear/hexanuclear lanthanide complexes for functional catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2312","2317","10.1039/d5dt02757h","","","0.71073","MoKα","","0.0294","0.0246","","","0.0501","0.0521","","","","","","1.061","","","","has coordinates","304734","2026-03-04","11:07:22",""
"7720409","8.62","0.009","9.188","0.009","11.602","0.011","95.61","0.03","94.86","0.03","96.1","0.03","905.1","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Dy2 N12 O22 -","- C22 H26 Dy2 N12 O22 -","- C22 H26 Dy2 N12 O22 -","1","0.5","","Liu, Bo-Yu; Abdukader, Ablimit; Huang, Jian-Bo; Wang, Lu-Lu; Wang, Duo-Zhi","Self-assembly of binuclear/hexanuclear lanthanide complexes for functional catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2312","2317","10.1039/d5dt02757h","","","0.71073","MoKα","","0.0545","0.046","","","0.1125","0.1175","","","","","","1.045","","","","has coordinates","304734","2026-03-04","11:07:22",""
"7720410","8.5601","0.001","9.105","0.001","11.3843","0.0012","95.586","0.003","94.771","0.003","96.714","0.003","873","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N12 Nd2 O22 -","- C22 H26 N12 Nd2 O22 -","- C22 H26 N12 Nd2 O22 -","1","0.5","","Liu, Bo-Yu; Abdukader, Ablimit; Huang, Jian-Bo; Wang, Lu-Lu; Wang, Duo-Zhi","Self-assembly of binuclear/hexanuclear lanthanide complexes for functional catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2312","2317","10.1039/d5dt02757h","","","0.71073","MoKα","","0.0348","0.0275","","","0.0481","0.051","","","","","","1.094","","","","has coordinates","304734","2026-03-04","11:07:22",""
"7720411","14.8086","0.0008","14.8086","0.0008","53.648","0.004","90","","90","","90","","11764.7","1.3","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C22 H20 Er1.5 N8 O10.25 -","- C22 H20 Er1.5 N8 O10.25 -","- C352 H320 Er24 N128 O164 -","16","1","","Liu, Bo-Yu; Abdukader, Ablimit; Huang, Jian-Bo; Wang, Lu-Lu; Wang, Duo-Zhi","Self-assembly of binuclear/hexanuclear lanthanide complexes for functional catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2312","2317","10.1039/d5dt02757h","","","0.71073","MoKα","","0.1427","0.0628","","","0.1332","0.1623","","","","","","1.025","","","","has coordinates","304734","2026-03-04","11:07:22",""
"7720412","14.7916","0.0005","14.7916","0.0005","53.557","0.003","90","","90","","90","","11717.8","0.9","296","2","296.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C44 H44 Ho3 N16 O20.5 -","- C44 H44 Ho3 N16 O20.5 -","- C352 H352 Ho24 N128 O164 -","8","0.5","","Liu, Bo-Yu; Abdukader, Ablimit; Huang, Jian-Bo; Wang, Lu-Lu; Wang, Duo-Zhi","Self-assembly of binuclear/hexanuclear lanthanide complexes for functional catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2312","2317","10.1039/d5dt02757h","","","0.71073","MoKα","","0.0932","0.0627","","","0.1354","0.1527","","","","","","1.129","","","","has coordinates","304734","2026-03-04","11:07:22",""
"7720413","7.255","0.004","7.554","0.004","8.201","0.004","113.368","0.008","103.575","0.007","102.904","0.007","375","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","BaMgSi3O8","","- Ba Mg O8 Si3 -","- Ba Mg O8 Si3 -","- Ba2 Mg2 O16 Si6 -","2","1","","Hikita, Wataru; Sato, Mineo; Toda, Kenji","Crystal structure elucidation and luminescence properties of a blue-emitting BaMgSi<sub>3</sub>O<sub>8</sub>:Eu<sup>2+</sup> phosphor with an alkali feldspar structure.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2148","2155","10.1039/d5dt02821c","","x-ray","0.71073","MoKα","","0.0378","0.0313","","","0.0716","0.074","","","","","","1.111","","","","has coordinates","304735","2026-03-04","11:07:48",""
"7720414","14.81","0.004","18.242","0.005","8.351","0.002","90","","105.38","0.007","90","","2175.3","1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N8 O6 -","- C19 H22 N8 O6 -","- C76 H88 N32 O24 -","4","1","","Nehe, Sagar; Ghule, Vikas D.; Dharavath, Srinivas","Fused pyrazolo[3,4-<i>d</i>] pyrimidine nitrogen-rich salts with balanced energetic performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2025","2029","10.1039/d5dt02893k","","x-ray","0.71073","MoKα","","0.0777","0.0743","","","0.1861","0.1891","","","","","","1.0475","","","","has coordinates","304736","2026-03-04","11:08:12",""
"7720415","8.2556","0.0002","25.4712","0.0007","9.0244","0.0002","90","","92.447","0.002","90","","1895.92","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Br4 Cd N4 O -","- C10 H20 Br4 Cd N4 O -","- C40 H80 Br16 Cd4 N16 O4 -","4","1","","Chen, Jie; Qu, Hao; Zhang, Jie; Huo, Meng-Rui; Zhang, Wen-Wen; Liu, Bing-Qi; Chai, Jianfei; Ji, Chunqing; Chen, Xiangyu; Wang, Yu-Yin; Zhou, Yan; Lin, Guoming","A centimeter-sized water-resistant blue-light-emitting zero-dimensional hybrid halide for solid-state lighting.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2181","2190","10.1039/d5dt02670a","","x-ray","1.54184","CuKα","","0.0681","0.0655","","","0.1798","0.1833","","","","","","1.064","","","","has coordinates","304737","2026-03-04","11:08:33",""
"7720416","8.2781","0.0001","25.5437","0.0004","9.04","0.0001","90","","92.375","0.001","90","","1909.9","0.04","200","0.1","200","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Br4 Cd N4 O -","- C10 H20 Br4 Cd N4 O -","- C40 H80 Br16 Cd4 N16 O4 -","4","1","","Chen, Jie; Qu, Hao; Zhang, Jie; Huo, Meng-Rui; Zhang, Wen-Wen; Liu, Bing-Qi; Chai, Jianfei; Ji, Chunqing; Chen, Xiangyu; Wang, Yu-Yin; Zhou, Yan; Lin, Guoming","A centimeter-sized water-resistant blue-light-emitting zero-dimensional hybrid halide for solid-state lighting.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2181","2190","10.1039/d5dt02670a","","x-ray","1.54184","CuKα","","0.0496","0.0478","","","0.1394","0.1414","","","","","","1.046","","","","has coordinates","304737","2026-03-04","11:08:34",""
"7720417","8.2377","0.0002","25.4216","0.0008","9.0131","0.0002","90","","92.488","0.002","90","","1885.7","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Br4 Cd N4 O -","- C10 H20 Br4 Cd N4 O -","- C40 H80 Br16 Cd4 N16 O4 -","4","1","","Chen, Jie; Qu, Hao; Zhang, Jie; Huo, Meng-Rui; Zhang, Wen-Wen; Liu, Bing-Qi; Chai, Jianfei; Ji, Chunqing; Chen, Xiangyu; Wang, Yu-Yin; Zhou, Yan; Lin, Guoming","A centimeter-sized water-resistant blue-light-emitting zero-dimensional hybrid halide for solid-state lighting.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2181","2190","10.1039/d5dt02670a","","x-ray","1.54184","CuKα","","0.0709","0.0681","","","0.1875","0.1913","","","","","","1.058","","","","has coordinates","304737","2026-03-04","11:08:36",""
"7720418","8.2931","0.0006","25.7784","0.0019","9.0582","0.0006","90","","91.806","0.002","90","","1935.5","0.2","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Br4 Cd N4 O -","- C10 H20 Br4 Cd N4 O -","- C40 H80 Br16 Cd4 N16 O4 -","4","1","","Chen, Jie; Qu, Hao; Zhang, Jie; Huo, Meng-Rui; Zhang, Wen-Wen; Liu, Bing-Qi; Chai, Jianfei; Ji, Chunqing; Chen, Xiangyu; Wang, Yu-Yin; Zhou, Yan; Lin, Guoming","A centimeter-sized water-resistant blue-light-emitting zero-dimensional hybrid halide for solid-state lighting.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2181","2190","10.1039/d5dt02670a","","","0.71076","MoKα","","0.0618","0.0391","","","0.0927","0.103","","","","","","1.023","","","","has coordinates","304738","2026-03-04","11:08:56",""
"7720419","19.58922","0.00016","19.58922","0.00016","14.53473","0.00018","90","","90","","90","","5577.52","0.09","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C23.5 H21.5 Mg2 N6.5 O10.5 S2 -","- C16 H4 Mg2 N4 O8 S2 -","- C128 H32 Mg16 N32 O64 S16 -","8","1","","Sun, Haiyi; Liu, Yunlei; Sun, Meng; Gao, Fei; Feng, Xueying; Xu, Mingming; Wang, Xiaokang","Functionalization of benzothiadiazole in magnesium-based metal-organic framework for C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> separation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2036","2040","10.1039/d5dt02980e","","x-ray","1.54184","CuKα","","0.0369","0.0343","","","0.0925","0.0948","","","","","","1.058","","","","has coordinates","304739","2026-03-04","11:09:15",""
"7720420","20.6204","0.0004","24.5542","0.0005","25.5396","0.0005","90","","90","","90","","12931.1","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C83.5 H64 Ga N2 O2 P2 -","- C83.5 H64 Ga N2 O2 P2 -","- C668 H512 Ga8 N16 O16 P16 -","8","1","","Skatova, Alexandra A.; Bazanov, Andrey A.; Baranov, Evgeny V.; Kiskin, Mikhail A.; Ketkov, Sergey Yu; Fedushkin, Igor L.","Gallium phosphaketenes derived from bis(imino)acenaphthenes (bian): synthesis and reactivity towards a trityl radical and bian-gallylene.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2080","2087","10.1039/d5dt02466h","","","0.71073","MoKα","","0.0862","0.0461","","","0.0952","0.1105","","","","","","1.013","","","","has coordinates,has disorder","304740","2026-03-04","11:09:52",""
"7720421","13.327","0.004","13.562","0.004","21.365","0.01","90.675","0.015","102.827","0.014","97.442","0.007","3730","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C99.5 H81.25 Ga N2 O1.25 -","- C99.5 H81.25 Ga N2 O1.25 -","- C199 H162.5 Ga2 N4 O2.5 -","2","1","","Skatova, Alexandra A.; Bazanov, Andrey A.; Baranov, Evgeny V.; Kiskin, Mikhail A.; Ketkov, Sergey Yu; Fedushkin, Igor L.","Gallium phosphaketenes derived from bis(imino)acenaphthenes (bian): synthesis and reactivity towards a trityl radical and bian-gallylene.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2080","2087","10.1039/d5dt02466h","","","0.71073","MoKα","","0.2146","0.0813","","","0.1549","0.1821","","","","","","1.007","","","","has coordinates,has disorder","304740","2026-03-04","11:09:53",""
"7720422","12.2228","0.0004","14.9094","0.0004","20.3396","0.0006","68.618","0.003","86.435","0.003","83.84","0.002","3430.46","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H76 Ga N2 O P -","- C93 H76 Ga N2 O P -","- C186 H152 Ga2 N4 O2 P2 -","2","1","","Skatova, Alexandra A.; Bazanov, Andrey A.; Baranov, Evgeny V.; Kiskin, Mikhail A.; Ketkov, Sergey Yu; Fedushkin, Igor L.","Gallium phosphaketenes derived from bis(imino)acenaphthenes (bian): synthesis and reactivity towards a trityl radical and bian-gallylene.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2080","2087","10.1039/d5dt02466h","","","0.71073","MoKα","","0.1163","0.0737","","","0.183","0.2167","","","","","","1.082","","","","has coordinates,has disorder","304740","2026-03-04","11:09:53",""
"7720423","11.8992","0.0006","14.8576","0.0005","19.8172","0.0007","85.634","0.001","82.537","0.002","89.968","0.002","3463.6","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C89.64 H71.64 Cl0.28 Ga N2.73 O P -","- C89.64 H71.64 Cl0.272 Ga N2.728 O P -","- C179.28 H143.28 Cl0.544 Ga2 N5.456 O2 P2 -","2","1","","Skatova, Alexandra A.; Bazanov, Andrey A.; Baranov, Evgeny V.; Kiskin, Mikhail A.; Ketkov, Sergey Yu; Fedushkin, Igor L.","Gallium phosphaketenes derived from bis(imino)acenaphthenes (bian): synthesis and reactivity towards a trityl radical and bian-gallylene.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2080","2087","10.1039/d5dt02466h","","","0.71073","MoKα","","0.1545","0.07","","","0.1476","0.1654","","","","","","0.913","","","","has coordinates,has disorder","304740","2026-03-04","11:09:53",""
"7720424","32.181","0.0005","32.181","0.0005","37.8481","0.0012","90","","90","","90","","39196.1","1.5","100","2","100","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C360 H452 N24 O48 -","- C360 H452 N24 O48 -","- C720 H904 N48 O96 -","2","0.25","","Guo, Yanan; Feng, Jiajun; Wang, Wenjing; Su, Kongzhao; Yuan, Daqiang","Effective hydrogen isotope separation by a robust flexible calix[4]resorcinarene-based porous organic cage.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2030","2035","10.1039/d5dt02805a","","","1.54184","CuKα","","0.1461","0.0902","","","0.2777","0.3202","","","","","","0.962","","","","has coordinates","304741","2026-03-04","11:10:30",""
"7720425","9.7041","0.0011","12.6241","0.0015","14.1057","0.0014","103.754","0.008","100.413","0.008","112.528","0.008","1477.5","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H40 N2 O4 Ru -","- C31 H40 N2 O4 Ru -","- C62 H80 N4 O8 Ru2 -","2","1","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","","0.71073","MoKα","","0.0832","0.0433","","","0.0808","0.0852","","","","","","0.911","","","","has coordinates,has disorder","304742","2026-03-04","11:11:32",""
"7720426","9.7072","0.0006","12.7353","0.0008","14.3871","0.0008","102.98","0.005","102.104","0.005","111.815","0.005","1522.21","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 N2 O4 Os -","- C32 H42 N2 O4 Os -","- C64 H84 N4 O8 Os2 -","2","1","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","x-ray","0.71073","MoKα","","0.0881","0.0384","","","0.0623","0.0706","","","","","","0.873","","","","has coordinates","304742","2026-03-04","11:11:33",""
"7720427","9.6961","0.0005","12.7169","0.0008","14.3705","0.0009","103.068","0.005","102.083","0.005","111.797","0.004","1516.05","0.18","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 N2 O4 Ru -","- C32 H42 N2 O4 Ru -","- C64 H84 N4 O8 Ru2 -","2","1","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","","0.71073","MoKα","","0.0831","0.0423","","","0.0762","0.0823","","","","","","0.951","","","","has coordinates","304742","2026-03-04","11:11:33",""
"7720428","12.467","0.0004","14.7959","0.0005","15.8824","0.0005","70.962","0.002","81.738","0.003","70.666","0.002","2611.15","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 N2 O3 Ru -","- C29 H34 N2 O3 Ru -","- C116 H136 N8 O12 Ru4 -","4","2","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","","0.71073","MoKα","","0.083","0.0397","","","0.0937","0.1017","","","","","","0.919","","","","has coordinates,has disorder","304742","2026-03-04","11:11:33",""
"7720429","10.174","0.002","10.412","0.002","12.597","0.003","102.88","0.03","92.89","0.03","118.32","0.03","1126","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N2 O3 Os -","- C26 H28 N2 O3 Os -","- C52 H56 N4 O6 Os2 -","2","1","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","x-ray","1.54178","CuKα","","0.0171","0.0167","","","0.0412","0.0414","","","","","","1.097","","","","has coordinates","304742","2026-03-04","11:11:33",""
"7720430","10.1522","0.0003","10.4123","0.0004","12.5901","0.0004","102.837","0.002","92.546","0.002","118.448","0.001","1123.26","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N2 O3 Ru -","- C26 H28 N2 O3 Ru -","- C52 H56 N4 O6 Ru2 -","2","1","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","","0.71073","MoKα","","0.0202","0.0187","","","0.0473","0.0479","","","","","","1.036","","","","has coordinates","304742","2026-03-04","11:11:33",""
"7720431","9.7513","0.0004","9.8612","0.0004","13.5758","0.0006","101.981","0.003","108.052","0.003","96.82","0.003","1190.39","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 N2 O3 Os -","- C27 H30 N2 O3 Os -","- C54 H60 N4 O6 Os2 -","2","1","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","x-ray","0.71073","MoKα","","0.0449","0.034","","","0.0772","0.0796","","","","","","0.997","","","","has coordinates","304742","2026-03-04","11:11:33",""
"7720432","10.1908","0.0005","17.8342","0.0008","12.9983","0.0008","90","","95.158","0.005","90","","2352.8","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 N2 O3 Os -","- C27 H30 N2 O3 Os -","- C108 H120 N8 O12 Os4 -","4","1","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","x-ray","0.71073","MoKα","","0.0551","0.038","","","0.0922","0.0982","","","","","","1.011","","","","has coordinates","304742","2026-03-04","11:11:33",""
"7720433","9.7903","0.0005","17.4298","0.0009","13.5228","0.0007","90","","94.398","0.004","90","","2300.8","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 N2 O3 Ru -","- C27 H30 N2 O3 Ru -","- C108 H120 N8 O12 Ru4 -","4","1","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","","0.71073","MoKα","","0.0355","0.0258","","","0.056","0.0567","","","","","","0.961","","","","has coordinates","304742","2026-03-04","11:11:33",""
"7720434","9.7915","0.0018","9.8922","0.0018","13.6713","0.0016","101.738","0.008","108.241","0.008","96.812","0.009","1207.5","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 N2 O3 Ru -","- C27 H30 N2 O3 Ru -","- C54 H60 N4 O6 Ru2 -","2","1","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","","0.71073","MoKα","","0.0222","0.0206","","","0.0504","0.0509","","","","","","1.061","","","","has coordinates","304742","2026-03-04","11:11:33",""
"7720435","12.4011","0.0016","15.266","0.002","16.009","0.002","70.693","0.004","81.979","0.004","69.726","0.004","2682","0.6","200.15","","200.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 N2 O3 Os -","- C29 H34 N2 O3 Os -","- C116 H136 N8 O12 Os4 -","4","2","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","","0.71073","MoKα","","0.0964","0.0462","","","0.0855","0.0954","","","","","","1.057","","","","has coordinates,has disorder","304742","2026-03-04","11:11:33",""
"7720436","9.835","0.0004","17.5139","0.0004","13.538","0.0003","90","","94.237","0.002","90","","2325.54","0.12","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 N2 O3 Os -","- C27 H30 N2 O3 Os -","- C108 H120 N8 O12 Os4 -","4","1","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","","0.71073","MoKα","","0.0152","0.0134","","","0.0318","0.0323","","","","","","1.075","","","","has coordinates","304742","2026-03-04","11:11:33",""
"7720437","23.1108","0.0008","16.0696","0.0005","17.3591","0.0006","90","","92.189","0.003","90","","6442.1","0.4","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 B2 F12 N6 O12 S4 -","- C18 H14 B2 F12 N6 O12 S4 -","- C144 H112 B16 F96 N48 O96 S32 -","8","1","","Yamamoto, Masahiro; Yamashita, Makoto","Substituent effect on the boron atoms in boron-bridged hexazenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2041","2045","10.1039/d5dt02896e","","x-ray","0.71073","MoKα","","0.0835","0.0482","","","0.0918","0.1008","","","","","","1.014","","","","has coordinates,has disorder","304743","2026-03-04","11:12:09",""
"7720438","9.51","0.005","10.265","0.005","11.092","0.006","95.1397","0.0011","108.318","0.006","109.543","0.006","945.5","0.9","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 B2 Cl4 N6 -","- C14 H14 B2 Cl4 N6 -","- C28 H28 B4 Cl8 N12 -","2","1","","Yamamoto, Masahiro; Yamashita, Makoto","Substituent effect on the boron atoms in boron-bridged hexazenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2041","2045","10.1039/d5dt02896e","","x-ray","0.71075","MoKα","","0.0861","0.0448","","","0.0875","0.1009","","","","","","1.006","","","","has coordinates","304743","2026-03-04","11:12:10",""
"7720439","11.046","0.002","6.4077","0.0013","13.815","0.003","90","","101.687","0.006","90","","957.5","0.3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 B2 N6 -","- C18 H26 B2 N6 -","- C36 H52 B4 N12 -","2","0.5","","Yamamoto, Masahiro; Yamashita, Makoto","Substituent effect on the boron atoms in boron-bridged hexazenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2041","2045","10.1039/d5dt02896e","","x-ray","0.71075","MoKα","","0.074","0.0476","","","0.103","0.1143","","","","","","1.054","","","","has coordinates","304743","2026-03-04","11:12:10",""
"7720440","41.1758","0.0015","37.6331","0.0014","25.835","0.0011","90","","118.335","0.001","90","","35237","2","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H3 Na3.83 Nd2.5 O118.33 Se5 W30 -","- C4 H3 Na3.8333 Nd2.5 O118.333 Se5 W30 -","- C32 H24 Na30.6664 Nd20 O946.666 Se40 W240 -","8","1","","Wang, Hao-Zhe; Liu, Yu-Feng; Lin, Zhou-Fu; Li, Shi-Xiong; Yang, Guo-Ping","A one-dimensional selenotungstate based on neodymium and {SeO<sub>3</sub>} groups for catalytic synthesis of imidazoles.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1646","1652","10.1039/d5dt02801a","","","0.71073","MoKα","","0.0763","0.0487","","","0.1154","0.1279","","","","","","1.022","","","","has coordinates,has disorder","304744","2026-03-04","11:12:34",""
"7720441","10.5121","0.0006","11.5698","0.0005","19.0923","0.001","96.406","0.002","93.983","0.003","101.347","0.002","2252.5","0.2","294.96","","294.96","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H40 Co2 N8 O8 -","- C52 H40 Co2 N8 O8 -","- C104 H80 Co4 N16 O16 -","2","1","","She, Jia-Hong; Sun, Mi-Zhen; Zhang, Shu-Ran; Xu, Guang-Juan; Xu, Yan-Hong; Xie, Wei; Hu, Xiao-Li; Su, Zhong-Min","Cobalt MOF-derived Co/CoO/C composites for efficient peroxymonosulfate activation and oxytetracycline degradation.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1891","1900","10.1039/d5dt02313k","","","0.71073","MoKα","","0.0817","0.0516","","","0.1168","0.1295","","","","","","1.059","","","","has coordinates","304745","2026-03-04","11:12:52",""
"7720442","12.1819","0.0002","18.8361","0.0003","20.6597","0.0004","90","","103.817","0.002","90","","4603.39","0.14","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H77 Ca N3 O Si2 -","- C43 H77 Ca N3 O Si2 -","- C172 H308 Ca4 N12 O4 Si8 -","4","1","","de Vere-Tucker, Matthew; Slawin, Alexandra M. Z.; Cordes, David B.; Stasch, Andreas","Synthesis of heteroleptic calcium amide complexes <i>via</i> manipulation of the Schlenk equilibrium.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1708","1715","10.1039/d5dt02949j","","","0.71073","MoKα","","0.0345","0.0311","","","0.0858","0.0878","","","","","","1.054","","","","has coordinates","304746","2026-03-04","11:13:44",""
"7720443","11.921","0.0009","29.295","0.002","13.3529","0.0009","90","","113.11","0.0017","90","","4289","0.5","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H67 Ca N3 Si2 -","- C39 H67 Ca N3 Si2 -","- C156 H268 Ca4 N12 Si8 -","4","1","","de Vere-Tucker, Matthew; Slawin, Alexandra M. Z.; Cordes, David B.; Stasch, Andreas","Synthesis of heteroleptic calcium amide complexes <i>via</i> manipulation of the Schlenk equilibrium.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1708","1715","10.1039/d5dt02949j","","","0.71075","MoKα","","0.047","0.0422","","","0.1113","0.1177","","","","","","1.03","","","","has coordinates","304746","2026-03-04","11:13:44",""
"7720444","17.2323","0.0018","17.2323","0.0018","43.437","0.005","90","","90","","90","","12899","2","93","","93","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C66 H100 Ca2 N4 -","- C66 H100 Ca2 N4 -","- C528 H800 Ca16 N32 -","8","0.5","","de Vere-Tucker, Matthew; Slawin, Alexandra M. Z.; Cordes, David B.; Stasch, Andreas","Synthesis of heteroleptic calcium amide complexes <i>via</i> manipulation of the Schlenk equilibrium.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1708","1715","10.1039/d5dt02949j","","","0.71073","MoKα","","0.0286","0.0263","","","0.0659","0.0671","","","","","","1.044","","","","has coordinates","304746","2026-03-04","11:13:44",""
"7720445","12.1402","0.0014","18.385","0.003","22.976","0.003","90","","92.196","0.004","90","","5124.4","1.2","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H87 Ca N3 O2 Si2 -","- C47 H87 Ca N3 O2 Si2 -","- C188 H348 Ca4 N12 O8 Si8 -","4","1","","de Vere-Tucker, Matthew; Slawin, Alexandra M. Z.; Cordes, David B.; Stasch, Andreas","Synthesis of heteroleptic calcium amide complexes <i>via</i> manipulation of the Schlenk equilibrium.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1708","1715","10.1039/d5dt02949j","","","0.71073","MoKα","","0.0407","0.0361","","","0.0953","0.0992","","","","","","1.062","","","","has coordinates,has disorder","304746","2026-03-04","11:13:44",""
"7720446","12.734","0.0006","13.0655","0.0007","20.7474","0.0009","90.774","0.004","91.907","0.004","112.633","0.005","3183","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H103 Ca N4 O0.5 -","- C68 H103 Ca N4 O0.5 -","- C136 H206 Ca2 N8 O -","2","1","","de Vere-Tucker, Matthew; Slawin, Alexandra M. Z.; Cordes, David B.; Stasch, Andreas","Synthesis of heteroleptic calcium amide complexes <i>via</i> manipulation of the Schlenk equilibrium.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1708","1715","10.1039/d5dt02949j","","","0.71073","MoKα","","0.1251","0.0563","","","0.1057","0.1272","","","","","","1","","","","has coordinates,has disorder","304746","2026-03-04","11:13:44",""
"7720447","41.158","0.003","13.0488","0.0009","9.6912","0.0006","90","","96.608","0.002","90","","5170.2","0.6","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H45.47 N4 O14 Ti2 -","- C56 H43.2 N4 O12 Ti2.5 -","- C224 H172.8 N16 O48 Ti10 -","4","0.5","","Subramaniyan, Mahabarathi; Thanigachalam, Sathish; Salimath, Shivabasayya V.; Ramasamy, Selva Kumar; George, Kevin; Pathak, Madhvesh","Synthesis, characterization and <i>in vitro</i> studies of metallacyclic derivatives of titanium(IV) incorporated with Schiff's bases: DNA/BSA binding, computational aspects and cytotoxic potential.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1806","1832","10.1039/d5dt02277k","","","0.71073","MoKα","","0.2258","0.1625","","","0.3797","0.4189","","","","","","1.06","","","","has coordinates,has disorder","304747","2026-03-04","11:14:28",""
"7720448","9.835","0.002","9.835","0.002","26.225","0.005","90","0.03","90","0.03","90","0.03","2536.7","0.9","299","2","299","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C120 H104 N16 O16 Ti4 -","- C120 H104 N8 O24 Ti4 -","- C120 H104 N8 O24 Ti4 -","1","0.125","","Subramaniyan, Mahabarathi; Thanigachalam, Sathish; Salimath, Shivabasayya V.; Ramasamy, Selva Kumar; George, Kevin; Pathak, Madhvesh","Synthesis, characterization and <i>in vitro</i> studies of metallacyclic derivatives of titanium(IV) incorporated with Schiff's bases: DNA/BSA binding, computational aspects and cytotoxic potential.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1806","1832","10.1039/d5dt02277k","","","0.71073","MoKα","","0.0696","0.0388","","","0.0885","0.1062","","","","","","1.109","","","","has coordinates","304747","2026-03-04","11:14:29",""
"7720449","7.0381","0.0017","5.5378","0.0012","14.505","0.003","90","","92.65","0.009","90","","564.7","0.2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F2 Na2 O4 S Sn -","- F2 Na2 O4 S Sn -","- F8 Na8 O16 S4 Sn4 -","4","1","","Wang, Jia; Zhang, Wenbin; Ma, Xiangcong; Zhang, Fangfang; Du, Hong; Han, Shujuan","Na<sub>2</sub>SnSO<sub>4</sub>F<sub>2</sub>: an ultraviolet-transparent sulfate crystal with large birefringence driven by stereochemically active tin(II).","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1659","1663","10.1039/d5dt02815a","","","0.71073","MoKα","","0.0249","0.0202","","","0.0495","0.052","","","","","","1.061","","","","has coordinates","304748","2026-03-04","11:14:52",""
"7720450","27.7537","0.001","8.7587","0.0004","7.0757","0.0003","90","","90.105","0.004","90","","1720","0.12","150","2","150","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","n/a","n/a","","- C22 H36 Cl8 Fe3 N8 -","- C22 H36 Cl8 Fe3 N8 -","- C44 H72 Cl16 Fe6 N16 -","2","0.25","","Alberti, Matteo; Rossi, Greta; Boucherabine, Djihed; Cargnoni, Fausto; Trioni, Mario Italo; Taini, Giulia; Zakutna, Dominika; Gentilin, Arianna; Đorđević, Luka; Sartorel, Andrea; Caselli, Alessandro","Photoactive Fe(III) pyclen complexes for light-driven aerobic oxidation of <i>p</i>-xylene.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1716","1726","10.1039/d5dt02534f","","x-ray","1.54184","CuKα","","0.0839","0.0676","","","0.1715","0.1914","","","","","","1.0324","","","","has coordinates","304749","2026-03-04","11:15:12",""
"7720451","22.8791","0.0019","10.8879","0.0009","9.3284","0.0007","90","","112.304","0.003","90","","2149.9","0.3","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H35 Cl N8 O4 -","- C17 H35 Cl N8 O4 -","- C68 H140 Cl4 N32 O16 -","4","0.5","","Sanz-Garrido, Jorge; Andrés, Román; Martín, Avelino; Gonzalez-Arellano, Camino; Flores, Juan C.","Triazaadamantyl N-heterocyclic carbenes (NHC-TA): water-soluble ligands and silver complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1675","1679","10.1039/d5dt02870a","","","0.71073","MoKα","","0.0503","0.0427","","","0.0963","0.1003","","","","","","1.115","","","","has coordinates","304750","2026-03-04","11:15:32",""
"7720452","16.3772","0.0003","10.4693","0.0001","14.2568","0.0002","90","","112.281","0.001","90","","2261.93","0.06","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N2 Ni O5 P2 S4 -","- C14 H24 N2 Ni O5 P2 S4 -","- C56 H96 N8 Ni4 O20 P8 S16 -","4","1","","Pillay, Michael N.; Li, Min-Chi; Ni, Yu-Rong; Yen, Wei-Jung; Chiu, Tzu-Hao; Wang, Xiaoping; Saillard, Jean-Yves; Liu, C. W.","Solving the P-O/P-OH riddle: direct synthesis and neutron diffraction characterization of dianionic dithiophosphonates.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1637","1641","10.1039/d5dt02816g","","","1","neutron","","0.0898","0.047","","","0.07","0.0766","","","","","","1.099","","","","has coordinates","304751","2026-03-04","11:16:20",""
"7720453","12.1011","0.0002","10.9171","0.0002","9.219","0.0001","90","","97.586","0.002","90","","1207.25","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 N4 O5 P2 S4 -","- C14 H32 N4 O5 P2 S4 -","- C28 H64 N8 O10 P4 S8 -","2","0.5","","Pillay, Michael N.; Li, Min-Chi; Ni, Yu-Rong; Yen, Wei-Jung; Chiu, Tzu-Hao; Wang, Xiaoping; Saillard, Jean-Yves; Liu, C. W.","Solving the P-O/P-OH riddle: direct synthesis and neutron diffraction characterization of dianionic dithiophosphonates.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1637","1641","10.1039/d5dt02816g","","x-ray","1.54184","CuKα","","0.0337","0.0331","","","0.0877","0.0882","","","","","","1.052","","","","has coordinates","304751","2026-03-04","11:16:20",""
"7720454","16.4408","0.0003","10.4823","0.0002","14.5603","0.0003","90","","112.818","0.002","90","","2312.91","0.08","293.15","0.1","293.15","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N2 Ni O5 P2 S4 -","- C14 H24 N2 Ni O5 P2 S4 -","- C56 H96 N8 Ni4 O20 P8 S16 -","4","1","","Pillay, Michael N.; Li, Min-Chi; Ni, Yu-Rong; Yen, Wei-Jung; Chiu, Tzu-Hao; Wang, Xiaoping; Saillard, Jean-Yves; Liu, C. W.","Solving the P-O/P-OH riddle: direct synthesis and neutron diffraction characterization of dianionic dithiophosphonates.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1637","1641","10.1039/d5dt02816g","","x-ray","1.54184","CuKα","","0.027","0.0236","","","0.0637","0.0655","","","","","","1.079","","","","has coordinates","304751","2026-03-04","11:16:20",""
"7720455","16.5343","0.0002","10.6191","0.0001","14.4834","0.0002","90","","112.913","0.002","90","","2342.34","0.06","293.15","0.1","293.15","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N2 O5 P2 Pd S4 -","- C14 H24 N2 O5 P2 Pd S4 -","- C56 H96 N8 O20 P8 Pd4 S16 -","4","1","","Pillay, Michael N.; Li, Min-Chi; Ni, Yu-Rong; Yen, Wei-Jung; Chiu, Tzu-Hao; Wang, Xiaoping; Saillard, Jean-Yves; Liu, C. W.","Solving the P-O/P-OH riddle: direct synthesis and neutron diffraction characterization of dianionic dithiophosphonates.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1637","1641","10.1039/d5dt02816g","","x-ray","1.54184","CuKα","","0.051","0.0493","","","0.128","0.1302","","","","","","1.06","","","","has coordinates","304751","2026-03-04","11:16:20",""
"7720456","11.1647","0.0001","13.2084","0.0001","14.5162","0.0002","77.314","0.001","87.495","0.001","76.672","0.001","2032.11","0.04","100.15","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H39.4 Cl2 O2.2 P3 Pt S2 -","- C44 H39.4 Cl2 O2.2 P3 Pt S2 -","- C88 H78.8 Cl4 O4.4 P6 Pt2 S4 -","2","1","","Pillay, Michael N.; Li, Min-Chi; Ni, Yu-Rong; Yen, Wei-Jung; Chiu, Tzu-Hao; Wang, Xiaoping; Saillard, Jean-Yves; Liu, C. W.","Solving the P-O/P-OH riddle: direct synthesis and neutron diffraction characterization of dianionic dithiophosphonates.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1637","1641","10.1039/d5dt02816g","","","1.54184","CuKα","","0.0293","0.0289","","","0.0752","0.0755","","","","","","1.047","","","","has coordinates","304751","2026-03-04","11:16:20",""
"7720457","36.3137","0.001","9.4106","0.0002","22.9791","0.0006","90","","111.905","0.003","90","","7285.8","0.4","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H50 N Ni O4 P2 S4 -","- C30 H50 N Ni O4 P2 S4 -","- C240 H400 N8 Ni8 O32 P16 S32 -","8","1","","Pillay, Michael N.; Li, Min-Chi; Ni, Yu-Rong; Yen, Wei-Jung; Chiu, Tzu-Hao; Wang, Xiaoping; Saillard, Jean-Yves; Liu, C. W.","Solving the P-O/P-OH riddle: direct synthesis and neutron diffraction characterization of dianionic dithiophosphonates.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1637","1641","10.1039/d5dt02816g","","x-ray","1.54184","CuKα","","0.0756","0.062","","","0.1667","0.1784","","","","","","1.066","","","","has coordinates,has disorder","304751","2026-03-04","11:16:20",""
"7720458","7.5663","0.0001","5.9128","0.0001","9.9436","0.0002","90","","90.895","0.001","90","","444.803","0.013","299.08","","299.08","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- K3 O8 Pr V2 -","- K3 O8 Pr V2 -","- K6 O16 Pr2 V4 -","2","0.5","","Tisdale, Hunter B.; Zur Loye, Hans-Conrad","Flux crystal growth of potassium lanthanide double vanadates with lanthanide-dependent coordination number variance.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1901","1906","10.1039/d5dt02027a","","","0.71073","MoKα","","0.0117","0.0112","","","0.0291","0.0292","","","","","","1.156","","","","has coordinates","304752","2026-03-04","11:17:06",""
"7720459","7.5342","0.0002","5.909","0.0002","9.8642","0.0003","90","","90.809","0.001","90","","439.11","0.02","299.01","","299.01","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- K3 O8 Sm V2 -","- K3 O8 Sm V2 -","- K6 O16 Sm2 V4 -","2","0.5","","Tisdale, Hunter B.; Zur Loye, Hans-Conrad","Flux crystal growth of potassium lanthanide double vanadates with lanthanide-dependent coordination number variance.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1901","1906","10.1039/d5dt02027a","","","0.71073","MoKα","","0.0133","0.0133","","","0.0348","0.0348","","","","","","1.406","","","","has coordinates","304752","2026-03-04","11:17:06",""
"7720460","7.6047","0.0001","5.9188","0.0001","20.009","0.0004","90","","90.914","0.001","90","","900.5","0.03","297.31","","297.31","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- K3 La O8 V2 -","- K3 La O8 V2 -","- K12 La4 O32 V8 -","4","1","","Tisdale, Hunter B.; Zur Loye, Hans-Conrad","Flux crystal growth of potassium lanthanide double vanadates with lanthanide-dependent coordination number variance.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1901","1906","10.1039/d5dt02027a","","","0.71073","MoKα","","0.0135","0.0134","","","0.0336","0.0337","","","","","","1.312","","","","has coordinates","304752","2026-03-04","11:17:06",""
"7720461","7.5519","0.0002","5.9169","0.0001","9.9126","0.0002","90","","90.872","0.001","90","","442.882","0.017","300.45","","300.45","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- K3 Nd O8 V2 -","- K3 Nd O8 V2 -","- K6 Nd2 O16 V4 -","2","0.5","","Tisdale, Hunter B.; Zur Loye, Hans-Conrad","Flux crystal growth of potassium lanthanide double vanadates with lanthanide-dependent coordination number variance.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1901","1906","10.1039/d5dt02027a","","","0.71073","MoKα","","0.0223","0.0223","","","0.0581","0.0581","","","","","","1.42","","","","has coordinates","304752","2026-03-04","11:17:06",""
"7720462","11.7611","0.0004","31.1858","0.0012","12.1671","0.0005","90","","91.854","0.003","90","","4460.3","0.3","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C91 H60 B2 F20 Fe4 N2 O12 S4 -","- C91 H60 B2 F20 Fe4 N2 O12 S4 -","- C182 H120 B4 F40 Fe8 N4 O24 S8 -","2","0.5","","Bennour, Ines; Monnot, Victor; Schollhammer, Philippe; Chatelain, Lucile","Design of boron-decorated bimetallic iron complexes related to the active site of [FeFe]-hydrogenases and reactivity with hydride donors.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1915","1922","10.1039/d5dt02885j","","x-ray","0.71073","MoKα","","0.0673","0.0479","","","0.1097","0.1282","","","","","","1.06","","","","has coordinates,has disorder","304753","2026-03-04","11:17:58",""
"7720463","17.3141","0.0007","26.8437","0.0012","13.3182","0.0005","90","","95.886","0.004","90","","6157.3","0.4","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H34 B2 F10 Fe4 O12 S4 -","- C58 H34 B2 F10 Fe4 O12 S4 -","- C232 H136 B8 F40 Fe16 O48 S16 -","4","0.5","","Bennour, Ines; Monnot, Victor; Schollhammer, Philippe; Chatelain, Lucile","Design of boron-decorated bimetallic iron complexes related to the active site of [FeFe]-hydrogenases and reactivity with hydride donors.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1915","1922","10.1039/d5dt02885j","","x-ray","0.71073","MoKα","","0.0533","0.038","","","0.0887","0.1005","","","","","","1.071","","","","has coordinates","304753","2026-03-04","11:18:00",""
"7720464","9.5053","0.0003","9.6893","0.0003","21.8776","0.0007","90","","101.887","0.003","90","","1971.71","0.11","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Fe2 O5 P S2 -","- C16 H15 Fe2 O5 P S2 -","- C64 H60 Fe8 O20 P4 S8 -","4","1","","Bennour, Ines; Monnot, Victor; Schollhammer, Philippe; Chatelain, Lucile","Design of boron-decorated bimetallic iron complexes related to the active site of [FeFe]-hydrogenases and reactivity with hydride donors.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1915","1922","10.1039/d5dt02885j","","x-ray","0.71073","MoKα","","0.0408","0.0344","","","0.0871","0.0913","","","","","","1.125","","","","has coordinates","304753","2026-03-04","11:18:00",""
"7720465","9.4643","0.0009","19.6751","0.0016","11.7454","0.001","90","","106.553","0.01","90","","2096.5","0.3","150","","150","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H32 B F10 Fe2 Na O9 S2 -","- C38 H32 B F10 Fe2 Na O9 S2 -","- C76 H64 B2 F20 Fe4 Na2 O18 S4 -","2","1","","Bennour, Ines; Monnot, Victor; Schollhammer, Philippe; Chatelain, Lucile","Design of boron-decorated bimetallic iron complexes related to the active site of [FeFe]-hydrogenases and reactivity with hydride donors.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1915","1922","10.1039/d5dt02885j","","x-ray","0.71073","MoKα","","0.1412","0.1345","","","0.3651","0.3701","","","","","","1.039","","","","has coordinates","304753","2026-03-04","11:18:01",""
"7720466","10.4654","0.0002","14.8091","0.0002","16.8078","0.0003","74.785","0.002","81.086","0.001","80.497","0.001","2462.01","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H34 N2 O -","- C29 H34 N2 O -","- C116 H136 N8 O4 -","4","2","","Gong, Yi; Shibata, Kaname; Michiue, Kenji; Gbertyo, Joseph; Rais, Zaid; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Phenoxybis(imine) complexes of vanadium: structure, ethylene polymerization, and ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1866","1881","10.1039/d5dt02846a","","x-ray","1.54184","CuKα","","0.0543","0.0461","","","0.1233","0.1299","","","","","","1.039","","","","has coordinates","304754","2026-03-04","11:19:10",""
"7720467","11.4085","0.0003","13.1317","0.0004","17.479","0.0004","78.084","0.002","86.776","0.002","89.036","0.003","2558.06","0.12","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H41 F4 I4 N5 O3 V -","- C50 H41 F4 I4 N5 O3 V -","- C100 H82 F8 I8 N10 O6 V2 -","2","1","","Gong, Yi; Shibata, Kaname; Michiue, Kenji; Gbertyo, Joseph; Rais, Zaid; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Phenoxybis(imine) complexes of vanadium: structure, ethylene polymerization, and ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1866","1881","10.1039/d5dt02846a","","","1.54178","CuKα","","0.0682","0.0572","","","0.1508","0.1586","","","","","","1.048","","","","has coordinates","304754","2026-03-04","11:19:10",""
"7720468","21.1845","0.0007","5.0363","0.0001","19.2407","0.0007","90","","116.97","0.004","90","","1829.56","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H8 F10 N2 O -","- C21 H8 F10 N2 O -","- C84 H32 F40 N8 O4 -","4","1","","Gong, Yi; Shibata, Kaname; Michiue, Kenji; Gbertyo, Joseph; Rais, Zaid; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Phenoxybis(imine) complexes of vanadium: structure, ethylene polymerization, and ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1866","1881","10.1039/d5dt02846a","","x-ray","1.54178","CuKα","","0.0475","0.0409","","","0.1159","0.1215","","","","","","1.058","","","","has coordinates","304754","2026-03-04","11:19:10",""
"7720469","9.2637","0.0005","32.1121","0.0019","10.5093","0.0006","90","","104.641","0.001","90","","3024.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H82 N4 O3 V -","- C66 H82 N4 O3 V -","- C132 H164 N8 O6 V2 -","2","0.5","","Gong, Yi; Shibata, Kaname; Michiue, Kenji; Gbertyo, Joseph; Rais, Zaid; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Phenoxybis(imine) complexes of vanadium: structure, ethylene polymerization, and ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1866","1881","10.1039/d5dt02846a","","","0.71073","MoKα","","0.13","0.1135","","","0.2462","0.2562","","","","","","1.209","","","","has coordinates,has disorder","304754","2026-03-04","11:19:10",""
"7720470","8.3986","0.0001","22.0578","0.0003","11.608","0.0001","90","","96.202","0.001","90","","2137.85","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H50 N4 O3 V -","- C50 H50 N4 O3 V -","- C100 H100 N8 O6 V2 -","2","0.5","","Gong, Yi; Shibata, Kaname; Michiue, Kenji; Gbertyo, Joseph; Rais, Zaid; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Phenoxybis(imine) complexes of vanadium: structure, ethylene polymerization, and ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1866","1881","10.1039/d5dt02846a","","x-ray","1.54178","CuKα","","0.0386","0.0359","","","0.1028","0.1046","","","","","","1.043","","","","has coordinates,has disorder","304754","2026-03-04","11:19:10",""
"7720471","34.8959","0.0007","10.6717","0.0003","30.5882","0.0007","90","","109.452","0.002","90","","10740.8","0.5","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H50 F12 N4 O3 V -","- C59 H50 F12 N4 O3 V -","- C472 H400 F96 N32 O24 V8 -","8","1","","Gong, Yi; Shibata, Kaname; Michiue, Kenji; Gbertyo, Joseph; Rais, Zaid; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Phenoxybis(imine) complexes of vanadium: structure, ethylene polymerization, and ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1866","1881","10.1039/d5dt02846a","","x-ray","1.54184","CuKα","","0.0607","0.0522","","","0.1446","0.1506","","","","","","1.066","","","","has coordinates","304754","2026-03-04","11:19:10",""
"7720472","12.19953","0.00012","14.842","0.0002","26.2894","0.0002","93.4728","0.0009","99.0009","0.0008","106.458","0.001","4481.12","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H33 F12 N5 O3 V -","- C48 H33 F12 N5 O3 V -","- C192 H132 F48 N20 O12 V4 -","4","2","","Gong, Yi; Shibata, Kaname; Michiue, Kenji; Gbertyo, Joseph; Rais, Zaid; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Phenoxybis(imine) complexes of vanadium: structure, ethylene polymerization, and ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1866","1881","10.1039/d5dt02846a","","","1.54178","CuKα","","0.0717","0.069","","","0.2003","0.2021","","","","","","1.173","","","","has coordinates","304754","2026-03-04","11:19:10",""
"7720473","24.7568","0.0017","23.5695","0.0018","28.5975","0.0019","90","","108.311","0.002","90","","15841.9","1.9","253","2","253","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C144 H160 Cl12 Ir2 N12 -","- C138 H148 Ir2 N12 -","- C552 H592 Ir8 N48 -","4","0.5","","Ni, Guowei; Pan, Yi; Zhou, Muyu; Sang, Yufeng; Yiu, Shek-Man; Lau, Kai Chung; Chi, Yun","Janus-type diiridium complexes with functional carbene cyclometalates for high-energy phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","904","916","10.1039/d5dt02691a","","x-ray","1.54178","CuKα","","0.0348","0.0318","","","0.0881","0.0902","","","","","","1.059","","","","has coordinates,has disorder","304755","2026-03-04","11:20:37",""
"7720474","33.7477","0.0018","12.4772","0.0007","33.9723","0.0018","90","","95.452","0.003","90","","14240.2","1.3","213","2","213","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C150 H172 Cl8 Ir2 N12 -","- C146 H164 Ir2 N12 -","- C584 H656 Ir8 N48 -","4","1","","Ni, Guowei; Pan, Yi; Zhou, Muyu; Sang, Yufeng; Yiu, Shek-Man; Lau, Kai Chung; Chi, Yun","Janus-type diiridium complexes with functional carbene cyclometalates for high-energy phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","904","916","10.1039/d5dt02691a","","x-ray","1.54178","CuKα","","0.1028","0.0692","","","0.1755","0.1951","","","","","","1.07","","","","has coordinates,has disorder","304755","2026-03-04","11:20:38",""
"7720475","13.1678","0.0004","45.4005","0.0013","11.906","0.0003","90","","107.72","0.002","90","","6780","0.3","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C77 H87 Cl2 Ir N6 -","- C77 H87 Cl2 Ir N6 -","- C308 H348 Cl8 Ir4 N24 -","4","1","","Ni, Guowei; Pan, Yi; Zhou, Muyu; Sang, Yufeng; Yiu, Shek-Man; Lau, Kai Chung; Chi, Yun","Janus-type diiridium complexes with functional carbene cyclometalates for high-energy phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","904","916","10.1039/d5dt02691a","","x-ray","1.54178","CuKα","","0.0632","0.0488","","","0.1243","0.1338","","","","","","1.045","","","","has coordinates,has disorder","304755","2026-03-04","11:20:38",""
"7720476","39.8974","0.0009","14.5469","0.0003","22.9823","0.0005","90","","90","","90","","13338.5","0.5","193","2","193","2","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C131.5 H144 Cl Ir2 N13 -","- C131 H143 Ir2 N13 -","- C524 H572 Ir8 N52 -","4","0.5","","Ni, Guowei; Pan, Yi; Zhou, Muyu; Sang, Yufeng; Yiu, Shek-Man; Lau, Kai Chung; Chi, Yun","Janus-type diiridium complexes with functional carbene cyclometalates for high-energy phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","904","916","10.1039/d5dt02691a","","x-ray","1.54178","CuKα","","0.0275","0.026","","","0.0652","0.0661","","","","","","1.087","","","","has coordinates,has disorder","304755","2026-03-04","11:20:38",""
"7720477","24.524","0.0007","15.8085","0.0005","7.1593","0.0002","90","","90","","90","","2775.57","0.14","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H23 Cu N3 O6 S2 -","- C27 H23 Cu N3 O6 S2 -","- C108 H92 Cu4 N12 O24 S8 -","4","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M; Covelo, Berta","Structural diversity in Zn(II)/Cu(II) complexes with salicylic/acetylsalicylic acids and bis(4-pyridylthio)methane: coordination polymers, one organic cocrystal, and one organic salt.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","724","734","10.1039/d5dt02303c","","","0.71073","MoKα","","0.0546","0.038","","","0.0704","0.0749","","","","","","1.029","","","","has coordinates","304756","2026-03-04","11:22:01",""
"7720478","12.6079","0.0003","11.9634","0.0003","16.0231","0.0004","90","","90.59","0.001","90","","2416.69","0.1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O6 S2 Zn -","- C25 H20 N2 O6 S2 Zn -","- C100 H80 N8 O24 S8 Zn4 -","4","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M; Covelo, Berta","Structural diversity in Zn(II)/Cu(II) complexes with salicylic/acetylsalicylic acids and bis(4-pyridylthio)methane: coordination polymers, one organic cocrystal, and one organic salt.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","724","734","10.1039/d5dt02303c","","","0.71073","MoKα","","0.0256","0.023","","","0.0565","0.0578","","","","","","1.039","","","","has coordinates","304756","2026-03-04","11:22:01",""
"7720479","19.0306","0.0005","13.8281","0.0003","20.5871","0.0005","90","","115.568","0.001","90","","4887.1","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N2 O6.5 S2 Zn -","- C25 H21 N2 O6.5 S2 Zn -","- C200 H168 N16 O52 S16 Zn8 -","8","2","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M; Covelo, Berta","Structural diversity in Zn(II)/Cu(II) complexes with salicylic/acetylsalicylic acids and bis(4-pyridylthio)methane: coordination polymers, one organic cocrystal, and one organic salt.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","724","734","10.1039/d5dt02303c","","","0.71073","MoKα","","0.036","0.0289","","","0.0691","0.073","","","","","","1.024","","","","has coordinates","304756","2026-03-04","11:22:01",""
"7720480","17.1409","0.0016","24.162","0.002","13.1999","0.0012","90","","92.494","0.003","90","","5461.7","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H82 Cu5 N8 O26 S8 -","- C100 H82 Cu5 N8 O26 S8 -","- C200 H164 Cu10 N16 O52 S16 -","2","0.5","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M; Covelo, Berta","Structural diversity in Zn(II)/Cu(II) complexes with salicylic/acetylsalicylic acids and bis(4-pyridylthio)methane: coordination polymers, one organic cocrystal, and one organic salt.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","724","734","10.1039/d5dt02303c","","","0.71073","MoKα","","0.1373","0.0803","","","0.2068","0.2458","","","","","","1.02","","","","has coordinates","304756","2026-03-04","11:22:01",""
"7720481","4.0567","0.0003","22.3227","0.0013","25.5311","0.0016","90","","90","","90","","2312","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O6 S2 -","- C25 H22 N2 O6 S2 -","- C100 H88 N8 O24 S8 -","4","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M; Covelo, Berta","Structural diversity in Zn(II)/Cu(II) complexes with salicylic/acetylsalicylic acids and bis(4-pyridylthio)methane: coordination polymers, one organic cocrystal, and one organic salt.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","724","734","10.1039/d5dt02303c","","","0.71073","MoKα","","0.031","0.0275","","","0.0655","0.0674","","","","","","1.033","","","","has coordinates,has disorder","304756","2026-03-04","11:22:01",""
"7720482","12.6042","0.0008","7.2044","0.0005","19.3267","0.0012","90","","103.951","0.002","90","","1703.21","0.19","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O3 S2 -","- C18 H16 N2 O3 S2 -","- C72 H64 N8 O12 S8 -","4","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M; Covelo, Berta","Structural diversity in Zn(II)/Cu(II) complexes with salicylic/acetylsalicylic acids and bis(4-pyridylthio)methane: coordination polymers, one organic cocrystal, and one organic salt.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","724","734","10.1039/d5dt02303c","","","0.71073","MoKα","","0.0378","0.0315","","","0.076","0.079","","","","","","1.068","","","","has coordinates","304756","2026-03-04","11:22:01",""
"7720483","12.1962","0.0004","13.8436","0.0004","15.1045","0.0005","90","","90","","90","","2550.23","0.14","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 N2 O6 S2 Zn -","- C25 H20 N2 O6 S2 Zn -","- C100 H80 N8 O24 S8 Zn4 -","4","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M; Covelo, Berta","Structural diversity in Zn(II)/Cu(II) complexes with salicylic/acetylsalicylic acids and bis(4-pyridylthio)methane: coordination polymers, one organic cocrystal, and one organic salt.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","724","734","10.1039/d5dt02303c","","","0.71073","MoKα","","0.0209","0.0198","","","0.0452","0.0457","","","","","","1.035","","","","has coordinates","304756","2026-03-04","11:22:01",""
"7720484","11.7291","0.0013","11.6093","0.0012","17.996","0.002","90","","100.984","0.005","90","","2405.6","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O6 S2 Zn -","- C25 H20 N2 O6 S2 Zn -","- C100 H80 N8 O24 S8 Zn4 -","4","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M; Covelo, Berta","Structural diversity in Zn(II)/Cu(II) complexes with salicylic/acetylsalicylic acids and bis(4-pyridylthio)methane: coordination polymers, one organic cocrystal, and one organic salt.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","724","734","10.1039/d5dt02303c","","","0.71073","MoKα","","0.0359","0.0295","","","0.0693","0.0724","","","","","","1.031","","","","has coordinates","304756","2026-03-04","11:22:01",""
"7720485","10.3233","0.0009","13.6855","0.0012","18.734","0.0017","92.024","0.004","101.552","0.003","97.723","0.003","2564.3","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H51 Cu2 N7 O13 S4 -","- C37 H38 Cu2 N4 O11 S4 -","- C74 H76 Cu4 N8 O22 S8 -","2","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M; Covelo, Berta","Structural diversity in Zn(II)/Cu(II) complexes with salicylic/acetylsalicylic acids and bis(4-pyridylthio)methane: coordination polymers, one organic cocrystal, and one organic salt.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","724","734","10.1039/d5dt02303c","","","0.71073","MoKα","","0.0649","0.0617","","","0.163","0.1653","","","","","","1.062","","","","has coordinates","304756","2026-03-04","11:22:01",""
"7720486","13.7783","0.0014","5.6132","0.0007","20.88","0.003","90","","94.922","0.003","90","","1608.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Mn N2 O4 P2 -","- C36 H32 Mn N2 O4 P2 -","- C72 H64 Mn2 N4 O8 P4 -","2","0.5","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.0379","0.0328","","","0.0944","0.099","","","","","","1.038","","","","has coordinates","304757","2026-03-04","11:23:22",""
"7720487","25.424","0.003","11.3058","0.0014","25.572","0.003","90","","113.557","0.004","90","","6737.8","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H29 Cl Cu2 N2 O9 P2 -","- C34 H29 Cl Cu2 N2 O9 P2 -","- C272 H232 Cl8 Cu16 N16 O72 P16 -","8","1","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.0476","0.0335","","","0.0793","0.0878","","","","","","1.036","","","","has coordinates","304757","2026-03-04","11:23:22",""
"7720488","26.447","0.005","11.211","0.002","11.2987","0.0016","90","","92.771","0.009","90","","3346.1","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N2 Ni O6 P2 -","- C34 H32 N2 Ni O6 P2 -","- C136 H128 N8 Ni4 O24 P8 -","4","0.5","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.0573","0.039","","","0.0974","0.1091","","","","","","1.039","","","","has coordinates","304757","2026-03-04","11:23:22",""
"7720489","11.9816","0.0017","12.7736","0.0017","13.4767","0.0017","112.507","0.004","91.947","0.005","115.772","0.004","1665.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Co N2 O5 P2 -","- C36 H34 Co N2 O5 P2 -","- C72 H68 Co2 N4 O10 P4 -","2","1","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.072","0.0434","","","0.1053","0.1219","","","","","","1.021","","","","has coordinates","304757","2026-03-04","11:23:22",""
"7720490","11.4798","0.0013","27.409","0.004","11.5762","0.0014","90","","119.306","0.004","90","","3176.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 Co N2 O7 P2 -","- C34 H34 Co N2 O7 P2 -","- C136 H136 Co4 N8 O28 P8 -","4","1","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.1013","0.05","","","0.0966","0.1226","","","","","","1.112","","","","has coordinates","304757","2026-03-04","11:23:22",""
"7720491","13.2632","0.0014","16.5624","0.0018","11.6242","0.0012","90","","104.254","0.003","90","","2474.9","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cl Cu N2 O6 P -","- C24 H22 Cl Cu N2 O6 P -","- C96 H88 Cl4 Cu4 N8 O24 P4 -","4","1","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.0596","0.0443","","","0.1129","0.1228","","","","","","1.036","","","","has coordinates","304757","2026-03-04","11:23:22",""
"7720492","21.733","0.003","9.2303","0.001","23.419","0.003","90","","90","","90","","4697.9","1","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H20 Cl Cu N2 O7 P -","- C24 H20 Cl Cu N2 O7 P -","- C192 H160 Cl8 Cu8 N16 O56 P8 -","8","1","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.0582","0.037","","","0.0903","0.105","","","","","","1.06","","","","has coordinates","304757","2026-03-04","11:23:22",""
"7720493","11.3016","0.0011","11.3016","0.0011","33.869","0.005","90","","90","","90","","4326","0.9","100","2","100","2","","","","","","","","6","P 43 2 2","P 4cw 2c","95","","","","- C44 H40 N5 Ni O12 P2 -","- C44 H40 N5 Ni O12 P2 -","- C176 H160 N20 Ni4 O48 P8 -","4","0.5","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.0677","0.0468","","","0.1153","0.1286","","","","","","1.081","","","","has coordinates","304757","2026-03-04","11:23:22",""
"7720494","12.5496","0.0015","12.924","0.0017","14.449","0.002","90","","104.083","0.004","90","","2273.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 Co2 N6 O10 P2 -","- C48 H36 Co2 N6 O10 P2 -","- C96 H72 Co4 N12 O20 P4 -","2","0.5","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.0642","0.0393","","","0.1023","0.122","","","","","","1.054","","","","has coordinates","304757","2026-03-04","11:23:22",""
"7720495","13.5255","0.0016","13.5524","0.0015","14.8154","0.0016","98.577","0.004","104.184","0.004","119.379","0.003","2174.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H98 Co2 N6 O22 P4 -","- C84 H98 Co2 N6 O22 P4 -","- C84 H98 Co2 N6 O22 P4 -","1","0.5","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.0401","0.034","","","0.0943","0.0995","","","","","","1.025","","","","has coordinates","304757","2026-03-04","11:23:22",""
"7720496","22.865","0.002","11.7446","0.0008","32.081","0.002","90","","100.258","0.004","90","","8477.3","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Cd N2 O6 P3 -","- C46 H38 Cd N2 O6 P3 -","- C368 H304 Cd8 N16 O48 P24 -","8","1","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.0591","0.0428","","","0.1197","0.131","","","","","","0.993","","","","has coordinates","304757","2026-03-04","11:23:23",""
"7720497","13.7192","0.0012","13.7192","0.0012","45.094","0.004","90","","90","","90","","8487.4","1.3","150","2","150","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C32.65 H43.13 N7.55 Ni2 O13.55 -","- C32.68 H43.2 N7.56 Ni2 O13.56 -","- C261.44 H345.6 N60.48 Ni16 O108.48 -","8","1","","García-Rojas, Elena; Montes-Andrés, Helena; Tapiador, Jesús; Martos, Carmen; Salcedo-Abraira, Pablo; Choquesillo-Lazarte, Duane; Orcajo, Gisela; Leo, Pedro","Dual-function Ni-based MOF for hydrogen storage and CO<sub>2</sub> to carbonate cyclic catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","761","774","10.1039/d5dt02218e","","","0.71073","MoKα","","0.171","0.1259","","","0.2402","0.2548","","","","","","1.22","","","","has coordinates,has disorder","304758","2026-03-04","11:24:09",""
"7720498","12.2735","0.0001","10.2813","0.0001","27.6692","0.0002","90","","91.522","0.001","90","","3490.28","0.05","100","0.4","100","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 Ir3 N Nb -","- C32 H51 Ir3 N Nb -","- C128 H204 Ir12 N4 Nb4 -","4","1","","Dubrawski, Zachary; Aïssiou, Samy; Jeanneau, Erwann; Thieuleux, Chloé; Camp, Clément","Visible-light driven H<sub>2</sub> reductive elimination unlocks reactivity in polyhydrido niobium iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","620","629","10.1039/d5dt02432c","","x-ray","0.71073","MoKα","","0.0249","0.022","","","0.0508","0.0516","","","","","","1.106","","","","has coordinates","304760","2026-03-04","11:26:10",""
"7720499","10.1262","0.0003","11.8871","0.0003","23.4515","0.0006","90","","99.588","0.002","90","","2783.45","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 Ir2 N2 Nb -","- C24 H42 Ir2 N2 Nb -","- C96 H168 Ir8 N8 Nb4 -","4","1","","Dubrawski, Zachary; Aïssiou, Samy; Jeanneau, Erwann; Thieuleux, Chloé; Camp, Clément","Visible-light driven H<sub>2</sub> reductive elimination unlocks reactivity in polyhydrido niobium iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","620","629","10.1039/d5dt02432c","","x-ray","0.71073","MoKα","","0.054","0.0396","","","0.0822","0.086","","","","","","1.047","","","","has coordinates","304760","2026-03-04","11:26:17",""
"7720500","18.6279","0.0001","14.2373","0.0001","19.7435","0.0001","90","","104.686","0.001","90","","5065.13","0.06","100.02","0.1","100.02","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H70 Ir3 Nb O -","- C53 H70 Ir3 Nb O -","- C212 H280 Ir12 Nb4 O4 -","4","1","","Dubrawski, Zachary; Aïssiou, Samy; Jeanneau, Erwann; Thieuleux, Chloé; Camp, Clément","Visible-light driven H<sub>2</sub> reductive elimination unlocks reactivity in polyhydrido niobium iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","620","629","10.1039/d5dt02432c","","x-ray","1.54184","CuKα","","0.0255","0.025","","","0.069","0.0694","","","","","","1.097","","","","has coordinates","304760","2026-03-04","11:26:17",""
"7720501","11.1224","0.0003","11.6146","0.0003","16.8916","0.0004","73.274","0.002","86.167","0.002","79.895","0.002","2057.05","0.09","100","0.11","100","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C38 H63 Ir3 N Nb O2 -","- C38 H63 Ir3 N Nb O2 -","- C76 H126 Ir6 N2 Nb2 O4 -","2","1","","Dubrawski, Zachary; Aïssiou, Samy; Jeanneau, Erwann; Thieuleux, Chloé; Camp, Clément","Visible-light driven H<sub>2</sub> reductive elimination unlocks reactivity in polyhydrido niobium iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","620","629","10.1039/d5dt02432c","","x-ray","0.71073","MoKα","","0.0696","0.05","","","0.1146","0.1214","","","","","","1.144","","","","has coordinates","304760","2026-03-04","11:26:17",""
"7720502","12.5491","0.0001","13.8785","0.0001","20.4161","0.0001","90","","90","","90","","3555.72","0.04","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H51 Ir3 N Nb -","- C32 H51 Ir3 N Nb -","- C128 H204 Ir12 N4 Nb4 -","4","1","","Dubrawski, Zachary; Aïssiou, Samy; Jeanneau, Erwann; Thieuleux, Chloé; Camp, Clément","Visible-light driven H<sub>2</sub> reductive elimination unlocks reactivity in polyhydrido niobium iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","620","629","10.1039/d5dt02432c","","x-ray","1.54184","CuKα","","0.0218","0.0217","","","0.0576","0.0577","","","","","","1.049","","","","has coordinates","304760","2026-03-04","11:26:17",""
"7720503","12.7793","0.0002","24.674","0.0003","13.8521","0.0002","90","","101.491","0.001","90","","4280.25","0.11","100.02","0.12","100.02","0.12","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 Ir4 Nb -","- C40 H60 Ir4 Nb -","- C160 H240 Ir16 Nb4 -","4","1","","Dubrawski, Zachary; Aïssiou, Samy; Jeanneau, Erwann; Thieuleux, Chloé; Camp, Clément","Visible-light driven H<sub>2</sub> reductive elimination unlocks reactivity in polyhydrido niobium iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","620","629","10.1039/d5dt02432c","","x-ray","1.54184","CuKα","","0.0639","0.0597","","","0.1495","0.1525","","","","","","1.069","","","","has coordinates,has disorder","304760","2026-03-04","11:26:17",""
"7720504","16.3515","0.0003","12.1117","0.0002","26.2377","0.0005","90","","106.515","0.002","90","","4981.86","0.16","100","0.3","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H70 Ir3 Nb O -","- C53 H70 Ir3 Nb O -","- C212 H280 Ir12 Nb4 O4 -","4","1","","Dubrawski, Zachary; Aïssiou, Samy; Jeanneau, Erwann; Thieuleux, Chloé; Camp, Clément","Visible-light driven H<sub>2</sub> reductive elimination unlocks reactivity in polyhydrido niobium iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","620","629","10.1039/d5dt02432c","","x-ray","0.71073","MoKα","","0.0798","0.0646","","","0.1315","0.1377","","","","","","1.0287","","","","has coordinates,has disorder","304760","2026-03-04","11:26:17",""
"7720505","9.2162","0.0015","5.5496","0.001","13.422","0.003","90","","90","","90","","686.5","0.2","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba Br2 Cd O3 Se -","- Ba Br2 Cd O3 Se -","- Ba4 Br8 Cd4 O12 Se4 -","4","0.5","","Zeng, Shenghong; Maimaiti, Mayinuer; Wu, Jinche; Han, Tingwen; Chai, Hui; Zhang, Fangfang; Zhang, Min","Tuning birefringence in alkaline-earth metal oxyhalides through diverse mixed-cation coordination architectures.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","611","619","10.1039/d5dt02624e","","","0.71073","MoKα","","0.0175","0.0165","","","0.0363","0.0367","","","","","","1.158","","","","has coordinates","304761","2026-03-04","11:26:59",""
"7720506","6.7782","0.0008","13.1189","0.0015","5.5337","0.0007","90","","90","","90","","492.07","0.1","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Ba2 Cd Cl2 O6 Se2 -","- Ba2 Cd Cl2 O6 Se2 -","- Ba4 Cd2 Cl4 O12 Se4 -","2","0.25","","Zeng, Shenghong; Maimaiti, Mayinuer; Wu, Jinche; Han, Tingwen; Chai, Hui; Zhang, Fangfang; Zhang, Min","Tuning birefringence in alkaline-earth metal oxyhalides through diverse mixed-cation coordination architectures.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","611","619","10.1039/d5dt02624e","","","0.71073","MoKα","","0.0221","0.022","","","0.0595","0.0596","","","","","","1.088","","","","has coordinates","304761","2026-03-04","11:26:59",""
"7720507","12.8099","0.0016","12.8099","0.0016","8.3153","0.0015","90","","90","","90","","1364.5","0.3","293","","298","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- Ba5 Br10 O4 Pb4 -","- Ba5 Br10 O4 Pb4 -","- Ba10 Br20 O8 Pb8 -","2","0.25","","Zeng, Shenghong; Maimaiti, Mayinuer; Wu, Jinche; Han, Tingwen; Chai, Hui; Zhang, Fangfang; Zhang, Min","Tuning birefringence in alkaline-earth metal oxyhalides through diverse mixed-cation coordination architectures.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","611","619","10.1039/d5dt02624e","","","0.71073","MoKα","","0.025","0.0235","","","0.0513","0.0527","","","","","","1.258","","","","has coordinates","304761","2026-03-04","11:26:59",""
"7720508","20.5014","0.0011","10.9874","0.0008","33.168","0.002","90","","90","","90","","7471.3","0.8","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C42 H42 Cu N O3 P2 -","- C42 H42 Cu N O3 P2 -","- C336 H336 Cu8 N8 O24 P16 -","8","2","","Hadjikakou, S. K.; Koufou, T. M.; Banti, C. N.; Tsoureas, N.; Raptopoulou, C. P.; Psycharis, V.; Mitsopoulou, C. A.","Chirality-controlled biomolecular recognition in Cu(I) metallodrugs: the first enantiomorphic CuP<sub>2</sub>O<sub>2</sub> systems with dual DNA/LOX activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3687","3702","10.1039/d5dt02906f","","","0.71073","MoKα","","0.0562","0.049","","","0.1093","0.1136","","","","","","1.127","","","","has coordinates,has disorder","304762","2026-03-04","11:37:03",""
"7720509","22.0146","0.0007","10.9051","0.0004","23.8047","0.0007","90","","112.006","0.001","90","","5298.5","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H63 Cu N O3 P3 -","- C63 H63 Cu N O3 P3 -","- C252 H252 Cu4 N4 O12 P12 -","4","1","","Hadjikakou, S. K.; Koufou, T. M.; Banti, C. N.; Tsoureas, N.; Raptopoulou, C. P.; Psycharis, V.; Mitsopoulou, C. A.","Chirality-controlled biomolecular recognition in Cu(I) metallodrugs: the first enantiomorphic CuP<sub>2</sub>O<sub>2</sub> systems with dual DNA/LOX activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3687","3702","10.1039/d5dt02906f","","","0.71073","MoKα","","0.0538","0.0409","","","0.1042","0.1133","","","","","","1.032","","","","has coordinates,has disorder","304762","2026-03-04","11:37:08",""
"7720510","22.5498","0.0011","11.086","0.0006","23.7143","0.0012","90","","96.69","0.002","90","","5887.9","0.5","160","2","160","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C66 H70.5 Cu N2 O4.25 P3 -","- C66 H70.5 Cu N2 O4.25 P3 -","- C264 H282 Cu4 N8 O17 P12 -","4","1","","Hadjikakou, S. K.; Koufou, T. M.; Banti, C. N.; Tsoureas, N.; Raptopoulou, C. P.; Psycharis, V.; Mitsopoulou, C. A.","Chirality-controlled biomolecular recognition in Cu(I) metallodrugs: the first enantiomorphic CuP<sub>2</sub>O<sub>2</sub> systems with dual DNA/LOX activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3687","3702","10.1039/d5dt02906f","","","0.71073","MoKα","","0.0664","0.0496","","","0.1061","0.1145","","","","","","1.057","","","","has coordinates","304762","2026-03-04","11:37:08",""
"7720511","9.8617","0.0004","17.0838","0.0006","18.6279","0.0007","90","","96.691","0.001","90","","3117","0.2","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 B11 I7 N2 -","- C13 H20 B11 I7 N2 -","- C52 H80 B44 I28 N8 -","4","1","","Jiang, Chennuo; Chen, Lianyu; Jin, Yujie; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon","Monocarborane-stabilized iodonium salts enable regioselective B12-iodination of [CB<sub>11</sub>H<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1109","1113","10.1039/d5dt02721g","","x-ray","1.34139","GaKα","","0.0379","0.0359","","","0.0903","0.0915","","","","","","1.063","","","","has coordinates","304763","2026-03-04","11:39:15",""
"7720512","15.3144","0.0008","19.2591","0.0011","32.603","0.0019","92.857","0.002","101.15","0.002","106.677","0.002","8980.7","0.9","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H26 B11 Cl6 I N4 -","- C15 H26 B11 Cl6 I N4 -","- C180 H312 B132 Cl72 I12 N48 -","12","6","","Jiang, Chennuo; Chen, Lianyu; Jin, Yujie; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon","Monocarborane-stabilized iodonium salts enable regioselective B12-iodination of [CB<sub>11</sub>H<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1109","1113","10.1039/d5dt02721g","","x-ray","1.34139","GaKα","","0.1087","0.0705","","","0.1882","0.2123","","","","","","1.07","","","","has coordinates,has disorder","304763","2026-03-04","11:39:16",""
"7720513","7.034","0.0003","16.9143","0.0006","15.5499","0.0005","90","","99.846","0.001","90","","1822.8","0.12","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H41 B22 I N4 -","- C22 H41 B22 I N4 -","- C44 H82 B44 I2 N8 -","2","0.5","","Jiang, Chennuo; Chen, Lianyu; Jin, Yujie; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon","Monocarborane-stabilized iodonium salts enable regioselective B12-iodination of [CB<sub>11</sub>H<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1109","1113","10.1039/d5dt02721g","","","1.34139","GaKα","","0.0575","0.0493","","","0.1324","0.1364","","","","","","1.079","","","","has coordinates,has disorder","304763","2026-03-04","11:39:16",""
"7720514","10.2469","0.0006","14.9143","0.0008","24.6138","0.0012","90","","93.431","0.002","90","","3754.9","0.3","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 B11 Cl2 I7 N4 -","- C16 H28 B11 Cl2 I7 N4 -","- C64 H112 B44 Cl8 I28 N16 -","4","1","","Jiang, Chennuo; Chen, Lianyu; Jin, Yujie; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon","Monocarborane-stabilized iodonium salts enable regioselective B12-iodination of [CB<sub>11</sub>H<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1109","1113","10.1039/d5dt02721g","","x-ray","1.34139","GaKα","","0.0364","0.028","","","0.0553","0.058","","","","","","1.047","","","","has coordinates","304763","2026-03-04","11:39:16",""
"7720515","9.7127","0.0003","14.5096","0.0005","24.3406","0.0008","90","","90.922","0.001","90","","3429.81","0.19","170","","170","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 B11 Br6 Cl2 I N4 -","- C16 H28 B11 Br6 Cl2 I N4 -","- C64 H112 B44 Br24 Cl8 I4 N16 -","4","1","","Jiang, Chennuo; Chen, Lianyu; Jin, Yujie; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon","Monocarborane-stabilized iodonium salts enable regioselective B12-iodination of [CB<sub>11</sub>H<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1109","1113","10.1039/d5dt02721g","","x-ray","1.34139","GaKα","","0.033","0.0306","","","0.0801","0.0812","","","","","","1.074","","","","has coordinates","304763","2026-03-04","11:39:16",""
"7720516","14.9066","0.0006","8.9852","0.0004","21.3656","0.0011","90","","106.617","0.002","90","","2742.2","0.2","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H31 B11 I2 N4 -","- C15 H31 B11 I2 N4 -","- C60 H124 B44 I8 N16 -","4","1","","Jiang, Chennuo; Chen, Lianyu; Jin, Yujie; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon","Monocarborane-stabilized iodonium salts enable regioselective B12-iodination of [CB<sub>11</sub>H<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1109","1113","10.1039/d5dt02721g","","x-ray","0.71073","MoKα","","0.0494","0.0381","","","0.082","0.0942","","","","","","1.047","","","","has coordinates","304763","2026-03-04","11:39:16",""
"7720517","10.8897","0.0006","21.7447","0.0012","15.3415","0.0008","90","","90.933","0.002","90","","3632.3","0.3","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C78 H40 Eu2 F20 N6 O14 -","- C78 H40 Eu2 F20 N6 O14 -","- C156 H80 Eu4 F40 N12 O28 -","2","1","","Levina, Anastasia A.; Shmelev, Maxim A.; Lalov, Andrey V.; Chistyakov, Aleksandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Effect of combining 1-naphthoate and pentafluorobenzoate anions in Eu(III) compounds on their structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1417","1435","10.1039/d5dt02665b","","","0.71073","MoKα","","0.0703","0.0567","","","0.1343","0.1486","","","","","","0.845","","","","has coordinates","304764","2026-03-04","11:40:35",""
"7720518","12.7439","0.0009","13.5698","0.0018","14.4841","0.0014","98.464","0.005","109.966","0.002","108.891","0.004","2131.8","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C77.8 H43 Eu2 F15 N6 O12 -","- C78 H43 Eu2 F15 N6 O12 -","- C78 H43 Eu2 F15 N6 O12 -","1","0.5","","Levina, Anastasia A.; Shmelev, Maxim A.; Lalov, Andrey V.; Chistyakov, Aleksandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Effect of combining 1-naphthoate and pentafluorobenzoate anions in Eu(III) compounds on their structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1417","1435","10.1039/d5dt02665b","","","0.71073","MoKα","","0.0712","0.0527","","","0.1135","0.1286","","","","","","1.042","","","","has coordinates,has disorder","304764","2026-03-04","11:40:35",""
"7720519","12.8451","0.0005","13.0931","0.0005","21.8306","0.0009","90","","90.082","0.002","90","","3671.5","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H42 Eu2 F20 N4 O12 -","- C82 H42 Eu2 F20 N4 O12 -","- C164 H84 Eu4 F40 N8 O24 -","2","0.5","","Levina, Anastasia A.; Shmelev, Maxim A.; Lalov, Andrey V.; Chistyakov, Aleksandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Effect of combining 1-naphthoate and pentafluorobenzoate anions in Eu(III) compounds on their structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1417","1435","10.1039/d5dt02665b","","","1.54178","CuKα","","0.071","0.059","","","0.1419","0.149","","","","","","1.037","","","","has coordinates","304764","2026-03-04","11:40:35",""
"7720520","19.3888","0.001","25.78","0.0015","27.3266","0.0015","90","","90","","90","","13659","1.3","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C70 H22 Eu2 F30 N6 O12 -","- C70 H22 Eu2 F30 N6 O12 -","- C560 H176 Eu16 F240 N48 O96 -","8","1","","Levina, Anastasia A.; Shmelev, Maxim A.; Lalov, Andrey V.; Chistyakov, Aleksandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Effect of combining 1-naphthoate and pentafluorobenzoate anions in Eu(III) compounds on their structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1417","1435","10.1039/d5dt02665b","","","0.71073","MoKα","","0.1197","0.0559","","","0.1185","0.1472","","","","","","1.008","","","","has coordinates","304764","2026-03-04","11:40:35",""
"7720521","13.449","0.0008","17.2769","0.001","16.4477","0.0011","90","","112.573","0.003","90","","3529","0.4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H36 Eu2 F20 N6 O12 -","- C74 H36 Eu2 F20 N6 O12 -","- C148 H72 Eu4 F40 N12 O24 -","2","0.5","","Levina, Anastasia A.; Shmelev, Maxim A.; Lalov, Andrey V.; Chistyakov, Aleksandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Effect of combining 1-naphthoate and pentafluorobenzoate anions in Eu(III) compounds on their structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1417","1435","10.1039/d5dt02665b","","","1.54178","CuKα","","0.075","0.0668","","","0.1857","0.1939","","","","","","1.05","","","","has coordinates","304764","2026-03-04","11:40:35",""
"7720522","11.504","0.0019","12.882","0.002","13.126","0.002","107.538","0.004","102.836","0.004","103.898","0.005","1706.9","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H34 Eu2 F20 N4 O12 -","- C76 H34 Eu2 F20 N4 O12 -","- C76 H34 Eu2 F20 N4 O12 -","1","0.5","","Levina, Anastasia A.; Shmelev, Maxim A.; Lalov, Andrey V.; Chistyakov, Aleksandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Effect of combining 1-naphthoate and pentafluorobenzoate anions in Eu(III) compounds on their structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1417","1435","10.1039/d5dt02665b","","","0.71073","MoKα","","0.1211","0.0811","","","0.1868","0.2187","","","","","","1.009","","","","has coordinates,has disorder","304764","2026-03-04","11:40:35",""
"7720523","11.504","0.0019","12.882","0.002","13.126","0.002","107.538","0.004","102.836","0.004","103.898","0.005","1706.9","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H34 Eu2 F20 N4 O12 -","- C76 H34 Eu2 F20 N4 O12 -","- C76 H34 Eu2 F20 N4 O12 -","1","0.5","","Levina, Anastasia A.; Shmelev, Maxim A.; Lalov, Andrey V.; Chistyakov, Aleksandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Effect of combining 1-naphthoate and pentafluorobenzoate anions in Eu(III) compounds on their structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1417","1435","10.1039/d5dt02665b","","","0.71073","MoKα","","0.1211","0.0811","","","0.1868","0.2187","","","","","","1.009","","","","has coordinates,has disorder","304764","2026-03-04","11:40:35",""
"7720524","13.7337","0.0006","22.2044","0.0007","24.4039","0.0011","90","","90","","90","","7441.9","0.5","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C86 H50 Eu2 F10 N6 O12 -","- C86 H50 Eu2 F10 N6 O12 -","- C344 H200 Eu8 F40 N24 O48 -","4","0.5","","Levina, Anastasia A.; Shmelev, Maxim A.; Lalov, Andrey V.; Chistyakov, Aleksandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Effect of combining 1-naphthoate and pentafluorobenzoate anions in Eu(III) compounds on their structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1417","1435","10.1039/d5dt02665b","","","0.71073","MoKα","","0.0543","0.0388","","","0.0741","0.0808","","","","","","1.074","","","","has coordinates","304764","2026-03-04","11:40:35",""
"7720525","16.377","0.006","9.987","0.004","21.598","0.008","90","","100.764","0.011","90","","3470","2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H32 Eu2 F30 N4 O16 -","- C70 H32 Eu2 F30 N4 O16 -","- C140 H64 Eu4 F60 N8 O32 -","2","0.5","","Levina, Anastasia A.; Shmelev, Maxim A.; Lalov, Andrey V.; Chistyakov, Aleksandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Effect of combining 1-naphthoate and pentafluorobenzoate anions in Eu(III) compounds on their structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1417","1435","10.1039/d5dt02665b","","","0.71073","MoKα","","0.0957","0.0669","","","0.1514","0.1764","","","","","","1.056","","","","has coordinates","304764","2026-03-04","11:40:35",""
"7720526","14.4475","0.0005","18.6209","0.0007","19.361","0.0007","87.498","0.001","85.789","0.001","87.228","0.001","5184.3","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C212.8 H73.9 Eu6 F71.5 N12 O36 -","- C212.8 H73.9 Eu6 F71.5 N12 O36 -","- C212.8 H73.9 Eu6 F71.5 N12 O36 -","1","0.5","","Levina, Anastasia A.; Shmelev, Maxim A.; Lalov, Andrey V.; Chistyakov, Aleksandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Effect of combining 1-naphthoate and pentafluorobenzoate anions in Eu(III) compounds on their structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1417","1435","10.1039/d5dt02665b","","","0.71073","MoKα","","0.0876","0.055","","","0.1013","0.115","","","","","","1.025","","","","has coordinates,has disorder","304764","2026-03-04","11:40:35",""
"7720527","15.9034","0.0016","9.5088","0.0009","19.1598","0.0018","90","","97.895","0.007","90","","2869.9","0.5","90","0.5","90","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H54 Cu2 N22 O16 -","- C50 H50 Cu2 N22 O16 -","- C100 H100 Cu4 N44 O32 -","2","0.5","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","1.54184","CuKα","","0.0522","0.0415","","","0.1025","0.108","","","","","","1.057","","","","has coordinates","304765","2026-03-04","11:41:49",""
"7720528","8.964","0.003","13.137","0.004","14.005","0.004","115.408","0.014","97.499","0.017","100.703","0.014","1422.2","0.8","170","0.5","170","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C37.75 H58.75 Cu F12 N13.25 O7.25 P2 -","- C34 H50 Cu F12 N12 O6 P2 -","- C34 H50 Cu F12 N12 O6 P2 -","1","0.5","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","0.71073","MoKα","","0.1116","0.0715","","","0.1997","0.2215","","","","","","1.058","","","","has coordinates,has disorder","304765","2026-03-04","11:41:49",""
"7720529","13.8729","0.0013","20.8932","0.0019","13.8843","0.0013","90","","111.861","0.006","90","","3735","0.6","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64.8 H65.2 Cl16 Cu2 N24.4 -","- C48 H40 Cl16 Cu2 N16 -","- C96 H80 Cl32 Cu4 N32 -","2","0.5","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","1.54184","CuKα","","0.1026","0.0774","","","0.2223","0.2415","","","","","","1.069","","","","has coordinates","304765","2026-03-04","11:41:49",""
"7720530","8.791","0.002","12.004","0.003","17.853","0.004","74.326","0.015","76.798","0.014","87.66","0.014","1765.5","0.7","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C56 H68 Cu2 F24 N16 O8 P4 -","- C56 H68 Cu2 F24 N16 O8 P4 -","- C56 H68 Cu2 F24 N16 O8 P4 -","1","0.5","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","1.54184","CuKα","","0.0427","0.0379","","","0.0997","0.1037","","","","","","1.052","","","","has coordinates","304765","2026-03-04","11:41:49",""
"7720531","8.6627","0.0006","18.4772","0.0011","9.3588","0.0006","90","","113.75","0.003","90","","1371.13","0.16","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cu2 N12 O12 -","- C22 H18 Cu2 N12 O12 -","- C44 H36 Cu4 N24 O24 -","2","0.5","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","1.54184","CuKα","","0.0429","0.0393","","","0.1105","0.1134","","","","","","1.061","","","","has coordinates","304765","2026-03-04","11:41:49",""
"7720532","13.384","0.002","19.582","0.003","14.839","0.002","90","","101.339","0.005","90","","3813.2","1","90","0.5","90","0.5","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H46 Cl12 Cu2 F24 N18 P4 -","- C52 H46 Cl12 Cu2 F24 N18 P4 -","- C104 H92 Cl24 Cu4 F48 N36 P8 -","2","1","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","0.71073","MoKα","","0.0365","0.0338","","","0.084","0.0863","","","","","","1.024","","","","has coordinates,has disorder","304765","2026-03-04","11:41:49",""
"7720533","12.6125","0.0008","13.4244","0.0009","15.4304","0.001","93.867","0.003","106.12","0.003","114.674","0.003","2229.9","0.3","90","0.5","90","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C78 H86 B2 Cu2 F20 N28 O6 P2 -","- C78 H86 B2 Cu2 F20 N28 O6 P2 -","- C78 H86 B2 Cu2 F20 N28 O6 P2 -","1","0.5","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","1.54184","CuKα","","0.0675","0.0623","","","0.1628","0.1666","","","","","","1.015","","","","has coordinates","304765","2026-03-04","11:41:49",""
"7720534","11.0009","0.0014","11.9123","0.0016","11.9902","0.0016","85.029","0.009","72.094","0.008","79.542","0.009","1469.5","0.3","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C52 H48 Cl2 Cu2 F12 N20 P2 -","- C52 H48 Cl2 Cu2 F12 N20 P2 -","- C52 H48 Cl2 Cu2 F12 N20 P2 -","1","0.5","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","1.54184","CuKα","","0.0784","0.0582","","","0.1465","0.1605","","","","","","0.995","","","","has coordinates","304765","2026-03-04","11:41:49",""
"7720535","23.204","0.005","16.029","0.004","23.192","0.005","90","","116.819","0.015","90","","7698","3","90","0.5","90","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32.17 H44.08 B2 Cu F8 N10.73 O4.22 -","- C30 H39 B2 Cu F8 N10 O3.5 -","- C240 H312 B16 Cu8 F64 N80 O28 -","8","2","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","1.54184","CuKα","","0.1161","0.087","","","0.2392","0.2647","","","","","","1.02","","","","has coordinates","304765","2026-03-04","11:41:49",""
"7720536","12.2967","0.0016","12.4835","0.0015","14.044","0.0018","108.711","0.007","114.045","0.008","98.653","0.008","1763.5","0.4","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C60.2 H71.8 Cu2 N25.4 O15.4 -","- C50 H48 Cu2 N22 O12 -","- C50 H48 Cu2 N22 O12 -","1","0.5","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","1.54184","CuKα","","0.1298","0.1025","","","0.2985","0.3227","","","","","","1.219","","","","has coordinates,has disorder","304765","2026-03-04","11:41:49",""
"7720537","34.7353","0.0013","15.0083","0.0005","24.2823","0.001","90","","131.826","0.002","90","","9433","0.7","90","0.5","90","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C81 H76.5 Cu2 F24 N31.5 P4 -","- C74 H66 Cu2 F24 N28 P4 -","- C296 H264 Cu8 F96 N112 P16 -","4","0.5","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","1.54184","CuKα","","0.0583","0.0537","","","0.1417","0.1451","","","","","","1.045","","","","has coordinates,has disorder","304765","2026-03-04","11:41:50",""
"7720538","4.5482","0.0004","4.5482","0.0004","7.3726","0.001","90","","90","","120","","132.08","0.02","299","","299","","","","","","","","","6","P -3","-P 3","147","","","","- B2 Be2 F2 Mg O6 Sr -","- B2 Be2 F2 Mg O6 Sr -","- B2 Be2 F2 Mg O6 Sr -","1","0.166667","","Wu, Tong; Kang, Lei; Liu, Fan; Guo, Ruixin; Guo, Shu; Huang, Tianhong; Shang, Shuangyue; Liu, Lijuan; Wang, Xiaoyang","SrMBe<sub>2</sub>(BO<sub>3</sub>)<sub>2</sub>F<sub>2</sub>(M = Zn, Mg): two SBBO-like compounds obtained by cation regulation.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1164","1168","10.1039/d5dt02730f","","","0.71073","MoKα","","0.0274","0.0274","","","0.0685","0.0685","","","","","","1.078","","","","has coordinates","304766","2026-03-04","11:42:21",""
"7720539","4.5577","0.0002","4.5577","0.0002","7.384","0.0007","90","","90","","120","","132.835","0.015","287","","287","","","","","","","","","6","P -3","-P 3","147","","","","- B2 Be2 F2 O6 Sr Zn -","- B2 Be2 F2 O6 Sr Zn -","- B2 Be2 F2 O6 Sr Zn -","1","0.166667","","Wu, Tong; Kang, Lei; Liu, Fan; Guo, Ruixin; Guo, Shu; Huang, Tianhong; Shang, Shuangyue; Liu, Lijuan; Wang, Xiaoyang","SrMBe<sub>2</sub>(BO<sub>3</sub>)<sub>2</sub>F<sub>2</sub>(M = Zn, Mg): two SBBO-like compounds obtained by cation regulation.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1164","1168","10.1039/d5dt02730f","","x-ray","0.71073","MoKα","","0.0209","0.0205","","","0.057","0.0571","","","","","","1.3","","","","has coordinates","304766","2026-03-04","11:42:21",""
"7720540","8.284","0.006","9.77","0.007","9.568","0.007","90","","90","","90","","774.4","1","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H10 Cl N O5 -","- C4 H10 Cl N O5 -","- C16 H40 Cl4 N4 O20 -","4","0.5","","Xu, Zeyu; Jiang, Xiu'e; Wang, Ruihui; Fan, Mingren; Wang, Yi; Zhang, Qinghua","Facile and low-cost construction of laser-ignitable energetic materials.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1436","1444","10.1039/d5dt02640g","","","0.71073","MoKα","","0.0961","0.0743","","","0.1879","0.2119","","","","","","1.073","","","","has coordinates,has disorder","304767","2026-03-04","11:42:49",""
"7720541","7.7982","0.0005","10.6867","0.0008","14.9073","0.001","90","","98.435","0.002","90","","1228.89","0.15","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H16 Cl2 N2 O9 -","- C5 H16 Cl2 N2 O9 -","- C20 H64 Cl8 N8 O36 -","4","1","","Xu, Zeyu; Jiang, Xiu'e; Wang, Ruihui; Fan, Mingren; Wang, Yi; Zhang, Qinghua","Facile and low-cost construction of laser-ignitable energetic materials.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1436","1444","10.1039/d5dt02640g","","","0.71073","MoKα","","0.0539","0.0385","","","0.0881","0.0983","","","","","","1.052","","","","has coordinates,has disorder","304767","2026-03-04","11:42:49",""
"7720542","6.1177","0.0004","14.948","0.0011","6.9688","0.0004","90","","101.692","0.002","90","","624.06","0.07","150.15","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cl2 N2 O8 -","- C6 H16 Cl2 N2 O8 -","- C12 H32 Cl4 N4 O16 -","2","0.5","","Xu, Zeyu; Jiang, Xiu'e; Wang, Ruihui; Fan, Mingren; Wang, Yi; Zhang, Qinghua","Facile and low-cost construction of laser-ignitable energetic materials.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1436","1444","10.1039/d5dt02640g","","","0.71073","MoKα","","0.0969","0.0716","","","0.1395","0.1527","","","","","","1.165","","","","has coordinates","304767","2026-03-04","11:42:49",""
"7720543","7.187","0.0005","6.476","0.0004","13.3062","0.001","90","","96","0.002","90","","615.92","0.07","170.15","","170.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Cl2 N2 O10 -","- C4 H16 Cl2 N2 O10 -","- C8 H32 Cl4 N4 O20 -","2","0.5","","Xu, Zeyu; Jiang, Xiu'e; Wang, Ruihui; Fan, Mingren; Wang, Yi; Zhang, Qinghua","Facile and low-cost construction of laser-ignitable energetic materials.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1436","1444","10.1039/d5dt02640g","","","0.71073","MoKα","","0.0531","0.0405","","","0.0923","0.1","","","","","","1.074","","","","has coordinates","304767","2026-03-04","11:42:49",""
"7720544","21.8814","0.001","22.2623","0.0009","35.8239","0.0017","97.262","0.002","104.428","0.002","90.817","0.002","16745.9","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C340 H424 Gd18 Mn18 N104 O232 -","- C340 H420 Gd18 Mn18 N104 O232 -","- C340 H420 Gd18 Mn18 N104 O232 -","1","0.5","","Costa-Villén, Ernesto; Puigjaner, Cristina; Mayans, Júlia; Escuer, Albert","Dodecanuclear Mn<sup>II</sup>-Gd<sup>III</sup> metallomacrocycles: magnetic and refrigerant responses.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1298","1305","10.1039/d5dt02886h","","","0.71073","MoKα","","0.0763","0.054","","","0.1328","0.1486","","","","","","1.06","","","","has coordinates,has disorder","304768","2026-03-04","11:43:28",""
"7720545","34.2922","0.0012","34.2922","0.0012","21.5263","0.0013","90","","90","","120","","21922.5","1.7","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C144 H132 Gd6 Mn6 N36 O78 -","- C144 H132 Gd6 Mn6 N36 O78 -","- C432 H396 Gd18 Mn18 N108 O234 -","3","0.166667","","Costa-Villén, Ernesto; Puigjaner, Cristina; Mayans, Júlia; Escuer, Albert","Dodecanuclear Mn<sup>II</sup>-Gd<sup>III</sup> metallomacrocycles: magnetic and refrigerant responses.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1298","1305","10.1039/d5dt02886h","","","0.71073","MoKα","","0.1235","0.0864","","","0.2241","0.2639","","","","","","1.032","","","","has coordinates,has disorder","304768","2026-03-04","11:43:29",""
"7720546","14.1055","0.0005","19.2368","0.0006","19.9639","0.0006","84.734","0.003","71.04","0.003","76.279","0.003","4976.4","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H92 B2 Co2 F8 N12 O7 -","- C92 H92 B2 Co2 F8 N12 O7 -","- C184 H184 B4 Co4 F16 N24 O14 -","2","1","","Chakraborty, Anuj Baran; Hazra, Rajib; Mukherjee, Srimayee; Majumdar, Amit","Electronic effects of substituents on the catalytic conversion of thiolates to alcohols by carboxylate bridged nonheme binuclear Fe(II) and Co(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1335","1348","10.1039/d5dt02420j","","x-ray","0.71073","MoKα","","0.0828","0.0678","","","0.1823","0.1956","","","","","","1.027","","","","has coordinates,has disorder","304769","2026-03-04","11:44:18",""
"7720547","14.2379","0.0006","15.3665","0.0006","21.6986","0.0009","92.18","0.002","106.103","0.002","91.798","0.002","4553.5","0.3","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H78 B2 F10 Fe2 N12 O3 -","- C88 H78 B2 F10 Fe2 N12 O3 -","- C176 H156 B4 F20 Fe4 N24 O6 -","2","1","","Chakraborty, Anuj Baran; Hazra, Rajib; Mukherjee, Srimayee; Majumdar, Amit","Electronic effects of substituents on the catalytic conversion of thiolates to alcohols by carboxylate bridged nonheme binuclear Fe(II) and Co(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1335","1348","10.1039/d5dt02420j","","x-ray","0.71073","MoKα","","0.0793","0.0627","","","0.1624","0.17","","","","","","1.035","","","","has coordinates,has disorder","304769","2026-03-04","11:44:19",""
"7720548","13.9956","0.0007","15.4261","0.0006","21.4618","0.0007","90.995","0.003","105.6","0.004","91.867","0.004","4458.8","0.3","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H81 B2 Co2 F10 N13 O3 -","- C90 H81 B2 Co2 F10 N13 O3 -","- C180 H162 B4 Co4 F20 N26 O6 -","2","1","","Chakraborty, Anuj Baran; Hazra, Rajib; Mukherjee, Srimayee; Majumdar, Amit","Electronic effects of substituents on the catalytic conversion of thiolates to alcohols by carboxylate bridged nonheme binuclear Fe(II) and Co(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1335","1348","10.1039/d5dt02420j","","x-ray","0.71073","MoKα","","0.0902","0.0718","","","0.1982","0.2187","","","","","","1.041","","","","has coordinates,has disorder","304769","2026-03-04","11:44:19",""
"7720549","14.0777","0.0007","19.3657","0.0011","20.0923","0.0009","85.067","0.002","71.752","0.002","77.266","0.002","5073.4","0.5","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H97 B2 Co2 F8 N11 O8 -","- C94 H97 B2 Co2 F8 N11 O8 -","- C188 H194 B4 Co4 F16 N22 O16 -","2","1","","Chakraborty, Anuj Baran; Hazra, Rajib; Mukherjee, Srimayee; Majumdar, Amit","Electronic effects of substituents on the catalytic conversion of thiolates to alcohols by carboxylate bridged nonheme binuclear Fe(II) and Co(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1335","1348","10.1039/d5dt02420j","","x-ray","0.71073","MoKα","","0.0835","0.0762","","","0.2032","0.2083","","","","","","1.078","","","","has coordinates,has disorder","304769","2026-03-04","11:44:19",""
"7720550","9.9607","","9.9607","","18.0472","","90","","90","","90","","1790.56","","298","","298","","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C16 In N2 O8 -","- C16 In N2 O8 -","- C32 In2 N4 O16 -","2","0.125","","He, Chaohui; Guo, Jinglin; Krishna, Rajamani; Jia, Zhenzhen; Zhang, Yujuan; Wang, Xiao-Qing; Hu, Tuoping","Efficient separation of CH<sub>4</sub>/C<sub>2</sub>H<sub>6</sub>/C<sub>3</sub>H<sub>8</sub> enabled by an indium-tetracarboxylate MOF with cross-channel and amino sites.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1114","1118","10.1039/d5dt02718g","powder diffraction","","1.54059","CuKα","","","","","","","","","0.059","1.76","","","","","","","has coordinates","304770","2026-03-04","11:44:41",""
"7720551","9.9564","0.0018","11.5148","0.0009","17.391","0.003","84.921","0.018","86.684","0.012","86.06","0.03","1978.6","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H27 Au3 F27 O3 P3 -","- C21 H27 Au3 F27 O3 P3 -","- C42 H54 Au6 F54 O6 P6 -","2","1","","Hoffman, Nicholas A.; Emslie, David J. H.","Gold(I) alkoxide and thiolate complexes as potential atomic layer deposition precursors.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1234","1247","10.1039/d5dt02836a","","","0.71073","MoKα","","0.0377","0.0305","","","0.0774","0.08","","","","","","1.03","","","","has coordinates,has disorder","304771","2026-03-04","11:45:36",""
"7720552","8.841","0.003","10.717","0.0012","12.075","0.003","85.65","0.03","71.233","0.012","88.65","0.01","1080.1","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H27 Au F9 O P -","- C16 H27 Au F9 O P -","- C32 H54 Au2 F18 O2 P2 -","2","1","","Hoffman, Nicholas A.; Emslie, David J. H.","Gold(I) alkoxide and thiolate complexes as potential atomic layer deposition precursors.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1234","1247","10.1039/d5dt02836a","","","0.71073","MoKα","","0.0183","0.0165","","","0.0335","0.0337","","","","","","1.073","","","","has coordinates","304771","2026-03-04","11:45:37",""
"7720553","9.968","0.004","15.365","0.007","24.734","0.012","90","","90","","90","","3788","3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H22 Au F6 O2 P -","- C14 H22 Au F6 O2 P -","- C112 H176 Au8 F48 O16 P8 -","8","1","","Hoffman, Nicholas A.; Emslie, David J. H.","Gold(I) alkoxide and thiolate complexes as potential atomic layer deposition precursors.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1234","1247","10.1039/d5dt02836a","","","0.71073","MoKα","","0.0839","0.0547","","","0.1117","0.125","","","","","","1.054","","","","has coordinates","304771","2026-03-04","11:45:37",""
"7720554","7.328","0.002","17.503","0.002","14.509","0.004","90","","92.614","0.015","90","","1859","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Au(pftb)(PiPr3)","","- C13 H21 Au F9 O P -","- C13 H21 Au F9 O P -","- C52 H84 Au4 F36 O4 P4 -","4","1","","Hoffman, Nicholas A.; Emslie, David J. H.","Gold(I) alkoxide and thiolate complexes as potential atomic layer deposition precursors.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1234","1247","10.1039/d5dt02836a","","","0.71073","MoKα","","0.0199","0.0153","","","0.0306","0.0314","","","","","","1.013","","","","has coordinates","304771","2026-03-04","11:45:37",""
"7720555","9.3457","0.0019","10.051","0.002","18.098","0.004","90","","90.258","0.009","90","","1700","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H30 Au P S -","- C13 H30 Au P S -","- C52 H120 Au4 P4 S4 -","4","1","","Hoffman, Nicholas A.; Emslie, David J. H.","Gold(I) alkoxide and thiolate complexes as potential atomic layer deposition precursors.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1234","1247","10.1039/d5dt02836a","","","0.71073","MoKα","","0.0129","0.0117","","","0.0269","0.0273","","","","","","1.075","","","","has coordinates","304771","2026-03-04","11:45:37",""
"7720556","17.793","0.007","15.821","0.005","16.109","0.004","90","","90","","90","","4535","3","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H36 Au2 P2 S2 -","- C14 H36 Au2 P2 S2 -","- C112 H288 Au16 P16 S16 -","8","2","","Hoffman, Nicholas A.; Emslie, David J. H.","Gold(I) alkoxide and thiolate complexes as potential atomic layer deposition precursors.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1234","1247","10.1039/d5dt02836a","","","0.71073","MoKα","","0.0398","0.0294","","","0.061","0.0654","","","","","","1.019","","","","has coordinates","304771","2026-03-04","11:45:37",""
"7720557","9.049","0.002","10.313","0.003","19.881","0.007","82.075","0.014","85.745","0.01","89.516","0.011","1832.6","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H43 Au F18 O2 P2 -","- C26 H43 Au F18 O2 P2 -","- C52 H86 Au2 F36 O4 P4 -","2","1","","Hoffman, Nicholas A.; Emslie, David J. H.","Gold(I) alkoxide and thiolate complexes as potential atomic layer deposition precursors.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1234","1247","10.1039/d5dt02836a","","","0.71073","MoKα","","0.0379","0.0336","","","0.072","0.0735","","","","","","1.171","","","","has coordinates","304771","2026-03-04","11:45:38",""
"7720558","20.0126","0.0005","20.9012","0.0004","35.8631","0.0005","90","","90","","90","","15001.1","0.5","150","2","150.15","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C43 H34 Cl2 N6 O2 Zn -","- C43 H34 Cl2 N6 O2 Zn -","- C688 H544 Cl32 N96 O32 Zn16 -","16","0.5","","Chauhan, Pinky; Sarkar, Abani; Ravikanth, Mangalampalli","Synthesis of Ni(II) and Zn(II) complexes of pyrrolyl dipyrrins and their biomimetic role in catalyzing the hydrolysis of the phospho-ester bond.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1349","1359","10.1039/d5dt02700d","","","0.71073","MoKα","","0.037","0.0347","","","0.0929","0.0956","","","","","","1.0441","","","","has coordinates","304772","2026-03-04","11:47:20",""
"7720559","8.447","0.008","8.757","0.008","13.826","0.012","74.579","0.019","74.53","0.02","65.03","0.02","879.7","1.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N3 Ni O2 -","- C21 H17 N3 Ni O2 -","- C42 H34 N6 Ni2 O4 -","2","1","","Chauhan, Pinky; Sarkar, Abani; Ravikanth, Mangalampalli","Synthesis of Ni(II) and Zn(II) complexes of pyrrolyl dipyrrins and their biomimetic role in catalyzing the hydrolysis of the phospho-ester bond.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1349","1359","10.1039/d5dt02700d","","","0.71073","MoKα","","0.1286","0.0759","","","0.1809","0.2227","","","","","","1.0306","","","","has coordinates","304772","2026-03-04","11:47:21",""
"7720560","32.7458","0.0004","12.4657","0.0002","33.4685","0.0005","90","","90.865","0.001","90","","13660.3","0.3","150","0.1","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 N6 Zn -","- C40 H32 N6 Zn -","- C640 H512 N96 Zn16 -","16","2","","Chauhan, Pinky; Sarkar, Abani; Ravikanth, Mangalampalli","Synthesis of Ni(II) and Zn(II) complexes of pyrrolyl dipyrrins and their biomimetic role in catalyzing the hydrolysis of the phospho-ester bond.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1349","1359","10.1039/d5dt02700d","","","0.71073","MoKα","","0.0449","0.0397","","","0.1091","0.1134","","","","","","1.0489","","","","has coordinates","304772","2026-03-04","11:47:21",""
"7720561","11.8115","0.0003","14.1038","0.0004","20.1361","0.0005","70.054","0.001","88.114","0.001","85.582","0.001","3143.75","0.14","130","2","130","2","","","","","","","","7","P -1","-P 1","2","SQP5_KPF6","","","- C57.1 H58.25 F18 K N5.25 O14.65 P -","- C57.1 H58.25 F18 K N5.25 O14.65 P -","- C114.2 H116.5 F36 K2 N10.5 O29.3 P2 -","2","1","","Jagleniec, Damian; Wilczek, Marcin; Dobrzycki, Łukasz; Marmur, Tomasz; Marcisz, Kamil; Romański, Jan","Competing but coexisting: sulfate- and potassium-induced supramolecular motifs in squaramide-based receptor complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4941","4950","10.1039/d6dt00391e","","x-ray","1.54178","CuKα","","0.0549","0.0529","","","0.1397","0.1415","","","","","","1.039","","","","has coordinates,has disorder","305387","2026-04-05","12:11:25",""
"7720562","11.6788","0.0003","40.5906","0.001","12.3583","0.0003","90","","99.202","0.001","90","","5783.1","0.2","130","2","130","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","SQP5_KCl_X","","","- C54 H53 Cl F12 K N5 O15 -","- C54 H53 Cl F12 K N5 O15 -","- C216 H212 Cl4 F48 K4 N20 O60 -","4","1","","Jagleniec, Damian; Wilczek, Marcin; Dobrzycki, Łukasz; Marmur, Tomasz; Marcisz, Kamil; Romański, Jan","Competing but coexisting: sulfate- and potassium-induced supramolecular motifs in squaramide-based receptor complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4941","4950","10.1039/d6dt00391e","","","1.54178","CuKα","","0.0367","0.034","","","0.0861","0.0881","","","","","","1.055","","","","has coordinates,has disorder","305387","2026-04-05","12:11:25",""
"7720563","20.0763","0.0019","20.094","0.002","32.699","0.003","87.699","0.004","87.562","0.003","74.488","0.003","12694","2","130","2","130","1","","","","","","","","7","P -1","-P 1","2","SQP5_TBA2SO4","","","- C115.05 H112.57 F24 K2 N13.52 O32 S -","- C115.05 H112.575 F24 K2 N13.525 O32 S -","- C460.2 H450.3 F96 K8 N54.1 O128 S4 -","4","2","","Jagleniec, Damian; Wilczek, Marcin; Dobrzycki, Łukasz; Marmur, Tomasz; Marcisz, Kamil; Romański, Jan","Competing but coexisting: sulfate- and potassium-induced supramolecular motifs in squaramide-based receptor complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4941","4950","10.1039/d6dt00391e","","","0.71073","MoKα","","0.0559","0.0436","","","0.1038","0.1143","","","","","","1.059","","","","has coordinates,has disorder","305387","2026-04-05","12:11:25",""
"7720564","13.091","0.009","9.094","0.006","11.318","0.008","90","","90","","90","","1347.4","1.6","120","2","120.15","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C5 H13 Cl5 N Sb -","- C5 H13 Cl5 N Sb -","- C20 H52 Cl20 N4 Sb4 -","4","1","","Li, Ya-Juan; Tong, Yu-Qiao; Yin, Shi-Qing; Gu, Qian-Jun; Gong, Peng-Peng; Guo, Yi; Huang, Bo; Zhu, Ai-Xin","A one-dimensional hybrid ferroelectric exhibiting lone pair stereoactivity based on square pyramids.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5313","5318","10.1039/d6dt00395h","","","0.71076","MoKα","","0.0586","0.0452","","","0.1049","0.1141","","","","","","1.143","","","","has coordinates","305376","2026-04-05","12:09:07",""
"7720565","13.0163","0.0011","9.0703","0.0008","11.2869","0.001","90","","90","","90","","1332.6","0.2","300","2","300.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H13 Cl5 N Sb -","- C5 H13 Cl5 N Sb -","- C20 H52 Cl20 N4 Sb4 -","4","0.5","","Li, Ya-Juan; Tong, Yu-Qiao; Yin, Shi-Qing; Gu, Qian-Jun; Gong, Peng-Peng; Guo, Yi; Huang, Bo; Zhu, Ai-Xin","A one-dimensional hybrid ferroelectric exhibiting lone pair stereoactivity based on square pyramids.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5313","5318","10.1039/d6dt00395h","","","0.71073","MoKα","","0.0508","0.0403","","","0.1194","0.1258","","","","","","1.081","","","","has coordinates,has disorder","305376","2026-04-05","12:09:07",""
"7720566","15.6824","0.0015","8.9748","0.0008","16.5729","0.0016","90","","99.359","0.01","90","","2301.5","0.4","150","0.1","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 N2 -","- C28 H34 N2 -","- C112 H136 N8 -","4","1","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","0.71073","MoKα","","0.1195","0.067","","","0.1049","0.1226","","","","","","1.033","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720567","15.217","0.002","10.6241","0.0004","29.473","0.004","90","","137.12","0.03","90","","3242.3","1.9","293.15","0.1","293.15","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H46.5 N3 O1.25 -","- C32 H39 N3 -","- C128 H156 N12 -","4","1","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.1049","0.072","","","0.2175","0.2493","","","","","","1.082","","","","has coordinates","305395","2026-04-05","12:13:12",""
"7720568","10.8893","0.0009","10.9235","0.0007","12.1064","0.0008","98.176","0.005","107.648","0.006","106.388","0.007","1275.02","0.18","150","0.1","150.15","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H38 N2 -","- C30 H38 N2 -","- C60 H76 N4 -","2","1","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","","1.54184","CuKα","","0.0658","0.0501","","","0.1192","0.1316","","","","","","1.029","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720569","12.0013","0.0003","21.8264","0.0006","13.1336","0.0003","90","","96.842","0.002","90","","3415.78","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C76 H109 Al N4 -","- C70 H95 Al N4 -","- C140 H190 Al2 N8 -","2","1","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.0828","0.0666","","","0.1934","0.2122","","","","","","1.065","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720570","11.9554","0.0004","12.4312","0.0005","20.2934","0.0006","72.226","0.003","89.976","0.002","67.51","0.003","2630.31","0.18","293.15","0.1","293.15","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C30 H38 N2 -","- C30 H38 N2 -","- C120 H152 N8 -","4","2","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.1053","0.0938","","","0.2392","0.245","","","","","","1.051","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720571","9.0212","0.0002","12.7128","0.0005","13.2559","0.0004","117.251","0.004","91.69","0.002","97.297","0.002","1333.93","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C60 H78 Al2 N4 -","- C60 H78 Al2 N4 -","- C60 H78 Al2 N4 -","1","0.5","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.0906","0.0775","","","0.2134","0.2251","","","","","","1.053","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720572","22.1834","0.0005","9.6461","0.0002","25.8423","0.0006","90","","102.843","0.002","90","","5391.5","0.2","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H73 Al N4 -","- C56 H67 Al N4 -","- C224 H268 Al4 N16 -","4","0.5","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.0685","0.0559","","","0.1557","0.1645","","","","","","1.044","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720573","11.1717","0.0002","15.5948","0.0002","20.5002","0.0004","90","","92.516","0.002","90","","3568.11","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C78 H96 Al2 F6 N4 -","- C78 H96 Al2 F6 N4 -","- C156 H192 Al4 F12 N8 -","2","0.5","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.1333","0.1288","","","0.279","0.2807","","","","","","1.245","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720574","12.2254","0.0003","13.2838","0.0003","13.9435","0.0004","72.394","0.002","64.263","0.003","75.267","0.002","1924.19","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C87 H114 Al2 N4 -","- C87 H114 Al2 N4 -","- C87 H114 Al2 N4 -","1","0.5","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.0853","0.0739","","","0.1659","0.1719","","","","","","1.044","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720575","9.5994","0.0002","11.543","0.0003","14.6201","0.0004","83.387","0.002","72.037","0.002","79.219","0.002","1510.96","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H45 Al N2 -","- C33 H45 Al N2 -","- C66 H90 Al2 N4 -","2","1","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","0.71073","MoKα","","0.0812","0.0514","","","0.127","0.1385","","","","","","1.065","","","","has coordinates","305395","2026-04-05","12:13:12",""
"7720576","10.063","0.0003","17.184","0.0005","18.5068","0.0005","90","","102.313","0.003","90","","3126.63","0.16","293.15","0.1","293.15","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 N2 -","- C35 H50 N2 -","- C140 H200 N8 -","4","1","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.0737","0.0609","","","0.1604","0.1671","","","","","","1.027","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720577","15.5008","0.0002","23.4406","0.0003","25.4848","0.0003","90","","93.056","0.001","90","","9246.7","0.2","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C102 H141 Al3 N6 -","- C102 H141 Al3 N6 -","- C408 H564 Al12 N24 -","4","0.5","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","0.71073","MoKα","","0.078","0.0527","","","0.1309","0.1411","","","","","","1.046","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720578","23.8685","0.0002","9.2769","0.0001","25.8714","0.0003","90","","98.512","0.001","90","","5665.49","0.1","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C60 H96 Al2 N4 -","- C54 H82 Al2 N4 -","- C216 H328 Al8 N16 -","4","0.5","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.0448","0.0399","","","0.1084","0.1119","","","","","","1.064","","","","has coordinates","305395","2026-04-05","12:13:12",""
"7720579","17.9252","0.0002","12.267","0.0001","31.3045","0.0003","90","","107.729","0.001","90","","6556.58","0.12","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C37 H52 N2 -","- C37 H52 N2 -","- C296 H416 N16 -","8","1","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.052","0.0498","","","0.1209","0.1227","","","","","","1.023","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720580","31.6819","0.0003","12.9437","0.0001","32.8715","0.0004","90","","90.308","0.001","90","","13479.8","0.2","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C73 H98 Al2 N4 O0.26 -","- C73 H98 Al2 N4 O0.264 -","- C584 H784 Al16 N32 O2.112 -","8","1","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.0572","0.0528","","","0.1421","0.145","","","","","","1.069","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720581","19.094","0.0002","21.9118","0.0002","18.2392","0.0002","90","","117.852","0.001","90","","6746.99","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C149 H196 Al4 N8 O4 -","- C149 H196 Al4 N8 O4 -","- C298 H392 Al8 N16 O8 -","2","0.5","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.0551","0.0515","","","0.1418","0.145","","","","","","1.043","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720582","15.3975","0.0001","35.3854","0.0003","28.9254","0.0002","90","","98.787","0.001","90","","15574.9","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C136 H201.6 O28.8 P4 Tb4 -","- C136 H201.6 O28.8 P4 Tb4 -","- C544 H806.4 O115.2 P16 Tb16 -","4","1","","Mangundu, Patrick; Ho, Curtis C.; Mole, Richard A.; Korb, Marcus; Fuller, Rebecca O.","Cubane lanthanoid complexes with tridentate [O, PO, O] coordination using tris(5-<i>tert</i>-butyl-2-hydroxyphenyl)-phosphine oxide ligands: synthesis, characterisation, and magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5408","5415","10.1039/d5dt02969d","","","1.54184","CuKα","","0.0663","0.0572","","","0.1476","0.1519","","","","","","1.034","","","","has coordinates,has disorder","305373","2026-04-05","12:07:47",""
"7720583","36.6346","0.0006","10.5685","0.0002","34.5274","0.0006","90","","103.025","0.002","90","","13024.1","0.4","99.98","0.1","99.98","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C128 H176 Ho4 O24 P4 -","- C128 H176 Ho4 O24 P4 -","- C512 H704 Ho16 O96 P16 -","4","0.5","","Mangundu, Patrick; Ho, Curtis C.; Mole, Richard A.; Korb, Marcus; Fuller, Rebecca O.","Cubane lanthanoid complexes with tridentate [O, PO, O] coordination using tris(5-<i>tert</i>-butyl-2-hydroxyphenyl)-phosphine oxide ligands: synthesis, characterisation, and magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5408","5415","10.1039/d5dt02969d","","","1.54184","CuKα","","0.0682","0.0562","","","0.1551","0.1611","","","","","","1.027","","","","has coordinates","305373","2026-04-05","12:07:47",""
"7720584","15.4291","0.0001","35.2632","0.0003","28.8975","0.0003","90","","98.797","0.001","90","","15537.6","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C135.43 H201.97 Dy4 O29.34 P4 -","- C135.3 H201.59 Dy4 O29.34 P4 -","- C541.2 H806.36 Dy16 O117.36 P16 -","4","1","","Mangundu, Patrick; Ho, Curtis C.; Mole, Richard A.; Korb, Marcus; Fuller, Rebecca O.","Cubane lanthanoid complexes with tridentate [O, PO, O] coordination using tris(5-<i>tert</i>-butyl-2-hydroxyphenyl)-phosphine oxide ligands: synthesis, characterisation, and magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5408","5415","10.1039/d5dt02969d","","","1.54184","CuKα","","0.0527","0.0387","","","0.0936","0.098","","","","","","1.038","","","","has coordinates,has disorder","305373","2026-04-05","12:07:47",""
"7720606","9.0458","0.0003","11.4454","0.0003","12.9865","0.0004","72.811","0.002","77.128","0.002","86.718","0.002","1252.14","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H48 N2 O10 Zn -","- C62 H48 N2 O10 Zn -","- C62 H48 N2 O10 Zn -","1","0.5","","Zhu, Jing; Zhang, Yumeng; Zhang, Juanle; Liu, Changchun; Ma, Xiaoxing; Ma, Junan","Blue-light-driven aerobic oxidation <i>via</i> a superoxide radical-generating zinc(II)-organic framework photocatalyst.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4917","4923","10.1039/d5dt02529j","","x-ray","1.54184","CuKα","","0.0861","0.0752","","","0.2154","0.2253","","","","","","1.063","","","","has coordinates","305391","2026-04-05","12:12:01",""
"7720607","20.0326","0.0007","6.5977","0.0003","7.6438","0.0002","90","","107.22","0.002","90","","964.99","0.06","296","","296","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Nb2 O12 S Te2 -","- Nb2 O12 S Te2 -","- Nb8 O48 S4 Te8 -","4","1","","Xu, Jingsha; Zhang, Xiaofeng; Chen, Shanshan; Wang, Weiyi; Qiu, Wenbo; Cai, Weizhao; Zhou, Liujiang","Double second-order Jahn-Teller strategy driven NLO response in sulfate crystal Nb<sub>2</sub>O<sub>2</sub>(TeO<sub>3</sub>)<sub>2</sub>(SO<sub>4</sub>) with a large birefringence.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5189","5196","10.1039/d5dt03078a","","","0.71073","MoKα","","0.0359","0.0288","","","0.0629","0.0662","","","","","","1.008","","","","has coordinates,has disorder","305370","2026-04-05","12:06:44",""
"7720636","8.4918","0.0004","8.7777","0.0004","13.2804","0.0006","94.784","0.004","90.25","0.004","93.681","0.004","984.37","0.08","5","","5","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H8 Co F12 N3 O3 -","- C18 H8 Co F12 N3 O3 -","- C36 H16 Co2 F24 N6 O6 -","2","1","","Mikhailov, Artem A.; Gansmüller, Axel; Hasil, Asma; Pillet, Sébastien; Kostin, Gennadiy; Chastanet, Guillaume; Woike, Theo; Schaniel, Dominik","NO photoswitches: a single photoinduced linkage isomer in diamagnetic {MNO}<sup>8</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4821","4831","10.1039/d6dt00116e","","x-ray","0.71073","MoKα","","0.0587","0.0401","","","0.0883","0.1006","","","","","","1.07","","","","has coordinates","305397","2026-04-05","12:13:59",""
"7720637","8.5175","0.0003","8.8128","0.0004","13.3093","0.0005","94.496","0.003","90.168","0.003","93.578","0.003","993.99","0.07","5","","5","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H8 Co F12 N3 O3 -","- C18 H8 Co F12 N3 O3 -","- C36 H16 Co2 F24 N6 O6 -","2","1","","Mikhailov, Artem A.; Gansmüller, Axel; Hasil, Asma; Pillet, Sébastien; Kostin, Gennadiy; Chastanet, Guillaume; Woike, Theo; Schaniel, Dominik","NO photoswitches: a single photoinduced linkage isomer in diamagnetic {MNO}<sup>8</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4821","4831","10.1039/d6dt00116e","","x-ray","0.71073","MoKα","","0.0795","0.0666","","","0.1279","0.1356","","","","","","1.147","","","","has coordinates,has disorder","305397","2026-04-05","12:13:59",""
"7720638","8.5644","0.0001","8.8806","0.0001","16.1562","0.0001","96.078","0.001","99.158","0.001","114.43","0.001","1084.17","0.02","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","Ruthenium dicarbonyl bisamidate","Ru(iPrtBuAD)2(CO)2","","- C18 H32 N2 O4 Ru -","- C18 H32 N2 O4 Ru -","- C36 H64 N4 O8 Ru2 -","2","1","","Obenlüneschloß, Jorit; Nies, Cara-Lena; Gock, Michael; Unkrig-Bau, Michael; Huster, Jan-Niklas; Nolan, Michael; Devi, Anjana","Ruthenium(II) carbonyl amidates - a new class of precursors for atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4046","4050","10.1039/d5dt02610e","","x-ray","1.54184","CuKα","","0.0243","0.0238","","","0.0615","0.0617","","","","","","1.074","","","","has coordinates","305029","2026-03-10","23:58:37",""
"7720639","14.9411","0.0002","7.7473","0.0001","19.6643","0.0003","90","","108.662","0.002","90","","2156.53","0.06","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ruthenium dicarbonyl bisamidate","Ru(tBuiPrAD)2(CO)2","","- C18 H32 N2 O4 Ru -","- C18 H32 N2 O4 Ru -","- C72 H128 N8 O16 Ru4 -","4","1","","Obenlüneschloß, Jorit; Nies, Cara-Lena; Gock, Michael; Unkrig-Bau, Michael; Huster, Jan-Niklas; Nolan, Michael; Devi, Anjana","Ruthenium(II) carbonyl amidates - a new class of precursors for atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4046","4050","10.1039/d5dt02610e","","x-ray","1.54184","CuKα","","0.0368","0.0339","","","0.0897","0.0919","","","","","","1.096","","","","has coordinates","305029","2026-03-10","23:58:38",""
"7720642","15.4561","0.0007","10.0553","0.0004","7.8796","0.0003","90","","104.08","0.002","90","","1187.82","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Fe N O -","- C14 H17 Fe N O -","- C56 H68 Fe4 N4 O4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0244","0.0222","","","0.0554","0.0566","","","","","","1.067","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720643","10.3806","0.0005","9.2842","0.0004","27.3337","0.0012","90","","91.979","0.002","90","","2632.7","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Br Fe N O -","- C14 H16 Br Fe N O -","- C112 H128 Br8 Fe8 N8 O8 -","8","2","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0169","0.0165","","","0.0424","0.0427","","","","","","1.056","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720644","15.1704","0.0009","13.7789","0.0008","11.3953","0.0006","90","","91.084","0.002","90","","2381.5","0.2","130","2","130","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Au Cl Fe N O P -","- C26 H26 Au Cl Fe N O P -","- C104 H104 Au4 Cl4 Fe4 N4 O4 P4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0186","0.0158","","","0.0332","0.0341","","","","","","1.098","","","","has coordinates,has disorder","305372","2026-04-05","12:07:35",""
"7720645","10.118","0.0003","23.6712","0.0009","12.7592","0.0004","90","","100.56","0.001","90","","3004.14","0.17","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 Au Cl4 Fe N O P -","- C27 H39 Au Cl4 Fe N O P -","- C108 H156 Au4 Cl16 Fe4 N4 O4 P4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0173","0.017","","","0.0402","0.0403","","","","","","1.081","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720646","8.8936","0.0003","11.0024","0.0003","22.6977","0.0007","90","","99.41","0.001","90","","2191.1","0.12","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Au Cl Fe N O3 P -","- C22 H22 Au Cl Fe N O3 P -","- C88 H88 Au4 Cl4 Fe4 N4 O12 P4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0151","0.0144","","","0.032","0.0323","","","","","","1.089","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720647","9.3802","0.0003","10.1241","0.0004","10.3269","0.0004","100.938","0.001","93.135","0.001","97.712","0.001","950.94","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Fe N O3 P -","- C22 H22 Fe N O3 P -","- C44 H44 Fe2 N2 O6 P2 -","2","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0219","0.0215","","","0.0591","0.0593","","","","","","1.048","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720648","10.3068","0.0004","8.2551","0.0003","22.7564","0.0009","90","","90.595","0.001","90","","1936.09","0.13","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Fe N O3 P -","- C22 H22 Fe N O3 P -","- C88 H88 Fe4 N4 O12 P4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0256","0.0245","","","0.0655","0.0664","","","","","","1.034","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720649","9.7338","0.0005","13.0064","0.0007","19.3567","0.001","90","","100.267","0.002","90","","2411.4","0.2","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Au Cl Fe N O P -","- C26 H26 Au Cl Fe N O P -","- C104 H104 Au4 Cl4 Fe4 N4 O4 P4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0149","0.0141","","","0.0327","0.033","","","","","","1.121","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720650","9.6322","0.0002","19.2608","0.0004","13.0816","0.0002","90","","99.414","0.001","90","","2394.26","0.08","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Au Cl Fe N P S -","- C26 H26 Au Cl Fe N P S -","- C104 H104 Au4 Cl4 Fe4 N4 P4 S4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0147","0.0145","","","0.0338","0.0339","","","","","","1.105","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720651","6.0188","0.0005","10.3743","0.0008","37.385","0.003","90","","90.447","0.003","90","","2334.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 Fe N O P -","- C26 H38 Fe N O P -","- C104 H152 Fe4 N4 O4 P4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0392","0.0364","","","0.0827","0.0838","","","","","","1.21","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720652","8.3381","0.0005","9.6955","0.0005","18.8996","0.0012","90","","90.75","0.002","90","","1527.75","0.15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 B F4 Fe N O -","- C15 H20 B F4 Fe N O -","- C60 H80 B4 F16 Fe4 N4 O4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0455","0.0451","","","0.098","0.0982","","","","","","1.147","","","","has coordinates,has disorder","305372","2026-04-05","12:07:35",""
"7720653","9.3036","0.0004","9.4666","0.0004","11.2315","0.0005","73.973","0.001","88.758","0.001","78.416","0.001","930.78","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 Fe N P S -","- C22 H20 Fe N P S -","- C44 H40 Fe2 N2 P2 S2 -","2","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","1.54178","CuKα","","0.0266","0.0265","","","0.0678","0.0679","","","","","","1.06","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720654","10.2998","0.0004","11.2164","0.0004","22.2753","0.0007","78.599","0.001","77.682","0.001","62.824","0.001","2221.68","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Au Cl Fe N P -","- C24 H24 Au Cl Fe N P -","- C96 H96 Au4 Cl4 Fe4 N4 P4 -","4","2","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0157","0.0151","","","0.0372","0.0375","","","","","","1.128","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720655","17.2028","0.0009","9.3853","0.0005","26.5932","0.0012","90","","90","","90","","4293.6","0.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H26 Fe N O P -","- C26 H26 Fe N O P -","- C208 H208 Fe8 N8 O8 P8 -","8","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0589","0.0414","","","0.0914","0.0975","","","","","","1.053","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720656","9.9729","0.0004","15.252","0.0007","14.9371","0.0006","90","","107.388","0.003","90","","2168.21","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Fe N P S -","- C26 H26 Fe N P S -","- C104 H104 Fe4 N4 P4 S4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","1.54178","CuKα","","0.0634","0.0417","","","0.0822","0.0901","","","","","","1.015","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720657","18.0566","0.0008","9.2923","0.0005","26.4855","0.0012","90","","90","","90","","4443.9","0.4","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H26 Fe N O P S -","- C26 H26 Fe N O P S -","- C208 H208 Fe8 N8 O8 P8 S8 -","8","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0482","0.0386","","","0.0787","0.0818","","","","","","1.118","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720658","15.0255","0.0004","11.5476","0.0003","12.0575","0.0004","90","","109.175","0.001","90","","1976.01","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Fe N P -","- C24 H24 Fe N P -","- C96 H96 Fe4 N4 P4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0229","0.0221","","","0.0597","0.0604","","","","","","1.054","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720659","9.7832","0.0005","10.5794","0.0005","11.4784","0.0006","72.733","0.002","80.17","0.002","72.03","0.002","1075.03","0.09","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Au Cl Fe N P -","- C24 H24 Au Cl Fe N P -","- C48 H48 Au2 Cl2 Fe2 N2 P2 -","2","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0157","0.0155","","","0.0408","0.0409","","","","","","1.159","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720660","19.3758","0.0007","10.1323","0.0004","12.2398","0.0005","90","","102.565","0.001","90","","2345.38","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Fe N O P -","- C26 H38 Fe N O P -","- C104 H152 Fe4 N4 O4 P4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.024","0.0228","","","0.0601","0.0607","","","","","","1.022","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720661","15.7656","0.0013","19.195","0.0017","14.3899","0.0011","90","","90","","90","","4354.7","0.6","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H26 Fe N P S -","- C26 H26 Fe N P S -","- C208 H208 Fe8 N8 P8 S8 -","8","2","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0241","0.0229","","","0.0588","0.0598","","","","","","1.047","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720662","9.511","0.0013","17.971","0.002","19.045","0.003","108.334","0.004","92.424","0.005","92.944","0.005","3080","0.7","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H30 Au Cl5 Fe N P S -","- C28 H30 Au Cl5 Fe N P S -","- C112 H120 Au4 Cl20 Fe4 N4 P4 S4 -","4","2","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.043","0.038","","","0.0999","0.1067","","","","","","1.028","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720663","15.2006","0.0017","14.2552","0.0014","19.957","0.002","90","","90","","90","","4324.4","0.8","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H26 Fe N O P -","- C26 H26 Fe N O P -","- C208 H208 Fe8 N8 O8 P8 -","8","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0269","0.0246","","","0.0654","0.0676","","","","","","1.058","","","","has coordinates,has disorder","305372","2026-04-05","12:07:35",""
"7720664","10.5333","0.0003","11.7347","0.0004","13.195","0.0004","99.359","0.001","104.167","0.001","114.437","0.001","1373.87","0.08","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C26.5 H39 Au Cl2 Fe N O P -","- C26 H38 Au Cl Fe N O P -","- C52 H76 Au2 Cl2 Fe2 N2 O2 P2 -","2","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0132","0.0127","","","0.0303","0.0304","","","","","","1.047","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720665","12.1326","0.0002","20.3581","0.0003","19.3113","0.0004","90","","96.213","0.002","90","","4741.81","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H48 Cu2 N7 O15 P3 -","- C45 H48 Cu2 N7 O15 P3 -","- C180 H192 Cu8 N28 O60 P12 -","4","1","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","x-ray","0.71073","MoKα","","0.0792","0.0561","","","0.1322","0.1419","","","","","","1.019","","","","has coordinates","305371","2026-04-05","12:07:20",""
"7720666","13.5349","0.0002","35.3829","0.0007","16.3968","0.0003","90","","106.02","0.002","90","","7547.5","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C91 H89 B2 N5 Ni O2 P2 -","- C91 H89 B2 N5 Ni O2 P2 -","- C364 H356 B8 N20 Ni4 O8 P8 -","4","1","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","x-ray","0.71073","MoKα","","0.0916","0.0591","","","0.127","0.1391","","","","","","1.014","","","","has coordinates","305371","2026-04-05","12:07:20",""
"7720667","12.8286","0.0001","12.8388","0.0001","17.741","0.0002","76.176","0.001","79.852","0.001","62.778","0.001","2515.53","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H62 N5 O3 P3 -","- C56 H62 N5 O3 P3 -","- C112 H124 N10 O6 P6 -","2","1","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","x-ray","0.71073","MoKα","","0.0508","0.0439","","","0.1132","0.1159","","","","","","1.094","","","","has coordinates","305371","2026-04-05","12:07:20",""
"7720668","13.4741","0.0002","35.5051","0.0004","16.4405","0.0002","90","","105.937","0.001","90","","7562.82","0.17","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C180 H175 B4 Co2 N9 O4 P4 -","- C180 H175 B4 Co2 N9 O4 P4 -","- C360 H350 B8 Co4 N18 O8 P8 -","2","0.5","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","x-ray","0.71073","MoKα","","0.0807","0.067","","","0.1601","0.1663","","","","","","1.153","","","","has coordinates,has disorder","305371","2026-04-05","12:07:20",""
"7720669","12.9014","0.0003","19.0597","0.0003","24.0169","0.0005","90","","90.483","0.002","90","","5905.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H79 Co N6 O11 P3 -","- C54 H59 Co N6 O9 P3 -","- C216 H236 Co4 N24 O36 P12 -","4","1","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","","0.71073","MoKα","","0.1203","0.0939","","","0.2385","0.2546","","","","","","1.0468","","","","has coordinates,has disorder","305371","2026-04-05","12:07:20",""
"7720670","10.0101","0.0001","17.9328","0.0002","24.3639","0.0003","90","","94.301","0.001","90","","4361.23","0.08","99.9","0.9","99.9","0.9","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H43 Cu2 N7 O14 P2 -","- C39 H43 Cu2 N7 O14 P2 -","- C156 H172 Cu8 N28 O56 P8 -","4","1","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","x-ray","0.71073","MoKα","","0.045","0.0326","","","0.0828","0.0878","","","","","","1.055","","","","has coordinates","305371","2026-04-05","12:07:20",""
"7720671","16.1308","0.0001","18.2809","0.0002","18.4056","0.0002","117.714","0.001","106.081","0.001","97.395","0.001","4400.22","0.1","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C97 H98 B2 Co N3 O4 P3 -","- C97 H98 B2 Co N3 O4 P3 -","- C194 H196 B4 Co2 N6 O8 P6 -","2","1","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","x-ray","0.71073","MoKα","","0.0683","0.0492","","","0.141","0.1534","","","","","","1.036","","","","has coordinates","305371","2026-04-05","12:07:20",""
"7720672","16.1174","0.0002","18.4228","0.0002","18.4245","0.0002","118.092","0.001","106.132","0.001","97.169","0.001","4420.25","0.11","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C97 H98 B2 N3 O4 P3 Zn -","- C97 H98 B2 N3 O4 P3 Zn -","- C194 H196 B4 N6 O8 P6 Zn2 -","2","1","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","x-ray","0.71073","MoKα","","0.0757","0.0512","","","0.1238","0.1337","","","","","","1.014","","","","has coordinates","305371","2026-04-05","12:07:20",""
"7720673","13.382","0.0002","35.6112","0.0006","16.4596","0.0003","90","","106.049","0.002","90","","7538.1","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C91 H89 B2 N5 O2 P2 Zn -","- C91 H89 B2 N5 O2 P2 Zn -","- C364 H356 B8 N20 O8 P8 Zn4 -","4","1","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","x-ray","0.71073","MoKα","","0.085","0.0584","","","0.1379","0.1496","","","","","","1.026","","","","has coordinates","305371","2026-04-05","12:07:20",""
"7720674","16.0832","0.0003","18.3082","0.0003","18.3795","0.0003","117.583","0.002","97.166","0.001","105.699","0.002","4415.17","0.18","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C97 H98 B2 N3 Ni O4 P3 -","- C97 H98 B2 N3 Ni O4 P3 -","- C194 H196 B4 N6 Ni2 O8 P6 -","2","1","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","x-ray","0.71073","MoKα","","0.089","0.0657","","","0.179","0.1919","","","","","","1.016","","","","has coordinates","305371","2026-04-05","12:07:20",""
"7720675","12.901","0.0002","19.0309","0.0003","24.1395","0.0004","90","","90.696","0.002","90","","5926.24","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H77 N12 O9 P3 Zn -","- C54 H59 N6 O9 P3 Zn -","- C216 H236 N24 O36 P12 Zn4 -","4","1","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","","0.71073","MoKα","","0.0845","0.0647","","","0.162","0.1714","","","","","","1.0438","","","","has coordinates","305371","2026-04-05","12:07:20",""
"7720695","8.3767","0.0003","9.5789","0.0003","10.5286","0.0003","90","","112.627","0.001","90","","779.78","0.04","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H0 O7 P2 Th -","- C2 O7 P2 Th -","- C8 O28 P8 Th4 -","4","1","","Mehra, Rupansha; Vidyasagar, Kanamaluru","Syntheses and characterization of non-molecular phenyl- and methyl-phosphonates and ethylenediphosphonates of thorium and cerium.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5250","5265","10.1039/d6dt00270f","","","0.71073","MoKα","","0.0619","0.0469","","","0.1069","0.1147","","","","","","1.04","","","","has coordinates","305369","2026-04-05","12:06:34",""
"7720696","10.6323","0.0011","11.5644","0.0015","7.7665","0.0006","90","","90","","90","","954.94","0.17","296","2","296","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C2 H8 Ce F2 O6 P2 -","- C2 H8 Ce F2 O6 P2 -","- C8 H32 Ce4 F8 O24 P8 -","4","0.25","","Mehra, Rupansha; Vidyasagar, Kanamaluru","Syntheses and characterization of non-molecular phenyl- and methyl-phosphonates and ethylenediphosphonates of thorium and cerium.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5250","5265","10.1039/d6dt00270f","","","0.71073","MoKα","","0.0423","0.0278","","","0.0525","0.0566","","","","","","1.085","","","","has coordinates","305369","2026-04-05","12:06:34",""
"7720697","9.6512","0.0008","10.5157","0.0007","15.014","0.0012","91.204","0.003","100.004","0.003","89.992","0.003","1500.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 O7 P2 Th -","- C12 H10 O7 P2 Th -","- C48 H40 O28 P8 Th4 -","4","2","","Mehra, Rupansha; Vidyasagar, Kanamaluru","Syntheses and characterization of non-molecular phenyl- and methyl-phosphonates and ethylenediphosphonates of thorium and cerium.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5250","5265","10.1039/d6dt00270f","","","0.71073","MoKα","","0.1087","0.0748","","","0.1793","0.2045","","","","","","1.029","","","","has coordinates","305369","2026-04-05","12:06:34",""
"7720698","9.2626","0.0011","9.5439","0.001","10.4813","0.0011","90.144","0.004","91.908","0.004","104.485","0.004","896.55","0.17","303","2","303","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H0 O7 P2 Th -","- C2 O7 P2 Th -","- C8 O28 P8 Th4 -","4","2","","Mehra, Rupansha; Vidyasagar, Kanamaluru","Syntheses and characterization of non-molecular phenyl- and methyl-phosphonates and ethylenediphosphonates of thorium and cerium.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5250","5265","10.1039/d6dt00270f","","","0.71073","MoKα","","0.0212","0.0185","","","0.0501","0.0508","","","","","","1.179","","","","has coordinates","305369","2026-04-05","12:06:34",""
"7720699","8.3996","0.0004","8.6999","0.0004","10.689","0.0005","69.159","0.002","69.445","0.002","83.358","0.002","683.49","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H4 Ce O6 P2 -","- C2 H4 Ce O6 P2 -","- C8 H16 Ce4 O24 P8 -","4","2","","Mehra, Rupansha; Vidyasagar, Kanamaluru","Syntheses and characterization of non-molecular phenyl- and methyl-phosphonates and ethylenediphosphonates of thorium and cerium.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5250","5265","10.1039/d6dt00270f","","","0.71073","MoKα","","0.1107","0.0656","","","0.116","0.1316","","","","","","1.014","","","","has coordinates","305369","2026-04-05","12:06:34",""
"7720700","26.7473","0.0016","4.1884","0.0002","4.6017","0.0003","90","","90.001","0.002","90","","515.52","0.05","299","2","299","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C2 H6 F4 O6 P2 Th2 -","- C2 H6 F4 O6 P2 Th2 -","- C4 H12 F8 O12 P4 Th4 -","2","0.25","","Mehra, Rupansha; Vidyasagar, Kanamaluru","Syntheses and characterization of non-molecular phenyl- and methyl-phosphonates and ethylenediphosphonates of thorium and cerium.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5250","5265","10.1039/d6dt00270f","","","0.71073","MoKα","","0.037","0.0353","","","0.089","0.0981","","","","","","1.353","","","","has coordinates","305369","2026-04-05","12:06:34",""
"7720701","10.1566","0.0002","9.0019","0.0002","10.5609","0.0003","90","","115.445","0.001","90","","871.91","0.04","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H7 F O7 P2 Th -","- C2 H7 F O7 P2 Th -","- C8 H28 F4 O28 P8 Th4 -","4","1","","Mehra, Rupansha; Vidyasagar, Kanamaluru","Syntheses and characterization of non-molecular phenyl- and methyl-phosphonates and ethylenediphosphonates of thorium and cerium.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5250","5265","10.1039/d6dt00270f","","","0.71073","MoKα","","0.0209","0.0172","","","0.031","0.0321","","","","","","1.049","","","","has coordinates","305369","2026-04-05","12:06:34",""
"7720702","5.3755","0.0011","8.1182","0.0019","10.143","0.002","73.825","0.011","83.835","0.011","73.629","0.01","407.68","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H0 Ce O6 P2 -","- C2 Ce O6 P2 -","- C4 Ce2 O12 P4 -","2","1","","Mehra, Rupansha; Vidyasagar, Kanamaluru","Syntheses and characterization of non-molecular phenyl- and methyl-phosphonates and ethylenediphosphonates of thorium and cerium.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5250","5265","10.1039/d6dt00270f","","","0.71073","MoKα","","0.0962","0.0697","","","0.1609","0.1785","","","","","","1.018","","","","has coordinates","305369","2026-04-05","12:06:34",""
"7720790","9.7469","0.0004","9.7469","0.0004","16.8886","0.0013","90","","90","","120","","1389.5","0.13","100","","100","","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C18 H42 F12 Mn N8 P2 -","- C18 H42 F12 Mn N8 P2 -","- C36 H84 F24 Mn2 N16 P4 -","2","0.166667","","Campanella, Anthony J.; Gin, Amanda; Sung, Siyoung; Jackson, Cassidy E.; Martinez, Roxanna; Üngör, Ökten; Dasari, Srikanth; Ozarowski, Andrew; Bhowmick, Indrani; Zadrozny, Joseph M.","Amplified electron-spin thermal sensitivity in Mn(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5139","5150","10.1039/d5dt02920a","","","0.71073","MoKα","","0.0269","0.0237","","","0.0641","0.0663","","","","","","1.056","","","","has coordinates","305231","2026-03-31","23:00:07",""
"7720791","9.7907","0.0008","16.4512","0.0013","19.0904","0.0017","87.804","0.003","89.891","0.003","89.806","0.002","3072.6","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H34 F12 Mn N4 O4 P2 -","- C24 H34 F12 Mn N4 O4 P2 -","- C96 H136 F48 Mn4 N16 O16 P8 -","4","2","","Campanella, Anthony J.; Gin, Amanda; Sung, Siyoung; Jackson, Cassidy E.; Martinez, Roxanna; Üngör, Ökten; Dasari, Srikanth; Ozarowski, Andrew; Bhowmick, Indrani; Zadrozny, Joseph M.","Amplified electron-spin thermal sensitivity in Mn(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5139","5150","10.1039/d5dt02920a","","x-ray","0.71073","MoKα","K-L~3~","0.0437","0.0362","","","0.0811","0.0857","","","","","","1.028","","","","has coordinates,has disorder","305231","2026-03-31","23:00:07",""
"7720792","9.5381","0.0002","9.5381","0.0002","17.2367","0.0006","90","","90","","120","","1358.03","0.06","99.99","","99.99","","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C18 H30 F12 Mn N8 P2 -","- C18 H30 F12 Mn N8 P2 -","- C36 H60 F24 Mn2 N16 P4 -","2","0.333333","","Campanella, Anthony J.; Gin, Amanda; Sung, Siyoung; Jackson, Cassidy E.; Martinez, Roxanna; Üngör, Ökten; Dasari, Srikanth; Ozarowski, Andrew; Bhowmick, Indrani; Zadrozny, Joseph M.","Amplified electron-spin thermal sensitivity in Mn(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5139","5150","10.1039/d5dt02920a","","","0.71073","MoKα","","0.0277","0.026","","","0.0677","0.0687","","","","","","1.113","","","","has coordinates","305231","2026-03-31","23:00:07",""
"7720795","10.7868","0.0006","14.0771","0.0006","15.4091","0.0008","112.378","0.002","96.104","0.002","97.621","0.002","2112.88","0.19","120","2","120","2","","","","","","","","6","P -1","-P 1","2","cis-α-(Egan)IrCl . 0.5 CH2Cl2","cis-α-κ5-(1,2-ethanedi-(2-(3,5-di-tert-butyl-2-oxyphenyl)imino)-benzoate)(chloro)iridium hemidichloromethane solvate","","- C44.5 H53 Cl2 Ir N2 O6 -","- C44.5 H53 Cl2 Ir N2 O6 -","- C89 H106 Cl4 Ir2 N4 O12 -","2","1","","Grandstaff, Kristin D.; Carbonel, Halen; Brown, Seth N.","Iridium complexes of a chelating bis(iminoxolene): augmentation of metal-metal π bonding by metal-ligand π bonding.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2088","2099","10.1039/d5dt02509e","","","0.71073","MoKα","","0.0658","0.0412","","","0.0704","0.0768","","","","","","1.028","","","","has coordinates,has disorder","305264","2026-04-04","19:22:09",""
"7720796","9.4851","0.0003","15.5602","0.0006","17.2975","0.0006","110.929","0.0012","93.6788","0.0012","95.5073","0.0014","2360.16","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","(Egan)IrCH3 . 2 CH2Cl2","(1,2-ethanediylbis-(2-(3,5-di-tert-butyl-2-oxy)phenylimino)benzoate)- methyliridium bis-dichloromethane solvate","","- C47 H59 Cl4 Ir N2 O6 -","- C47 H59 Cl4 Ir N2 O6 -","- C94 H118 Cl8 Ir2 N4 O12 -","2","1","","Grandstaff, Kristin D.; Carbonel, Halen; Brown, Seth N.","Iridium complexes of a chelating bis(iminoxolene): augmentation of metal-metal π bonding by metal-ligand π bonding.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2088","2099","10.1039/d5dt02509e","","x-ray","0.71073","MoKα","","0.0478","0.0356","","","0.0684","0.0722","","","","","","1.026","","","","has coordinates,has disorder","305264","2026-04-04","19:22:09",""
"7720797","10.0999","0.0003","14.1374","0.0004","16.4491","0.0005","99.418","0.002","94.139","0.002","100.769","0.002","2263.41","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","cis-β-(Egan)IrCl","cis-β-κ5-(1,2-ethanedi-(2-(3,5-di-tert-butyl-2-oxyphenyl)imino)- benzoate)(chloro)iridium acetone solvate","","- C47 H58 Cl Ir N2 O7 -","- C47 H58 Cl Ir N2 O7 -","- C94 H116 Cl2 Ir2 N4 O14 -","2","1","","Grandstaff, Kristin D.; Carbonel, Halen; Brown, Seth N.","Iridium complexes of a chelating bis(iminoxolene): augmentation of metal-metal π bonding by metal-ligand π bonding.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2088","2099","10.1039/d5dt02509e","","","1.54178","CuKα","","0.0427","0.029","","","0.054","0.0573","","","","","","1.008","","","","has coordinates","305264","2026-04-04","19:22:09",""
"7720798","13.957","0.001","13.957","0.001","21.62","0.002","90","","90","","90","","4211.5","0.6","120","2","120","2","","","","","","","","5","P -4 21 c","P -4 2n","114","(A,C)-(Egan)2Ir2 . C6H6","(A,C)-Bis(1,2-ethanedi-(2-(3,5-di-tert-butyl-2-oxyphenylimino)-benzoate)diiridium benzene solvate","","- C94 H110 Ir2 N4 O12 -","- C94 H110 Ir2 N4 O12 -","- C188 H220 Ir4 N8 O24 -","2","0.25","","Grandstaff, Kristin D.; Carbonel, Halen; Brown, Seth N.","Iridium complexes of a chelating bis(iminoxolene): augmentation of metal-metal π bonding by metal-ligand π bonding.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2088","2099","10.1039/d5dt02509e","","x-ray","1.54178","CuKα","","0.0239","0.0189","","","0.0462","0.0489","","","","","","1.084","","","","has coordinates,has disorder","305264","2026-04-04","19:22:09",""
"7720799","22.638","0.0019","19.1554","0.0016","27.048","0.002","90","","90","","90","","11729.1","1.6","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","[Cp2Co][(Egan)Ir] . 2.5 THF","Cobaltocenium (1,2-ethanediylbis-(2-(3,5-di-tert-butyl-2-oxy)phenyl- imino)benzoate)iridate semiquin-tetrahydrofuran solvate","","- C64 H82 Co Ir N2 O8.5 -","- C64 H82 Co Ir N2 O8.5 -","- C512 H656 Co8 Ir8 N16 O68 -","8","1","","Grandstaff, Kristin D.; Carbonel, Halen; Brown, Seth N.","Iridium complexes of a chelating bis(iminoxolene): augmentation of metal-metal π bonding by metal-ligand π bonding.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2088","2099","10.1039/d5dt02509e","","x-ray","1.54178","CuKα","","0.0299","0.0248","","","0.0617","0.0645","","","","","","1.042","","","","has coordinates","305264","2026-04-04","19:22:09",""
"7720800","10.3997","0.0003","10.6405","0.0003","25.14","0.0007","90","","100.306","0.001","90","","2737.06","0.13","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 B2 Cl6 F N8 O6 Ru -","- C17 H13 B2 Cl6 F N8 O6 Ru -","- C68 H52 B8 Cl24 F4 N32 O24 Ru4 -","4","1","","Voloshin, Yan Z.; Chuprin, Alexander S.; Mosov, Danila O.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Budnikova, Yulia H.; Khrizanforova, Vera V.; Dedov, Alexey G.; Kottsov, Sergey Yu; Teplonogova, Maria A.; Ivanov, Vladimir K.","Novel ruthenium(II) hexachloromacrobicyclic complexes and their first polyaromatic-terminated diaminoclathrochelate derivative: preparation, structure, redox and adsorption characteristics, and electrocatalytic activity in the hydrogen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1765","1780","10.1039/d5dt02479j","","","0.71073","MoKα","","0.0402","0.0307","","","0.0672","0.0715","","","","","","1.007","","","","has coordinates","305266","2026-04-04","19:22:24",""
"7720801","8.17","0.0016","19.69","0.004","22.19","0.004","113.28","0.03","99.85","0.03","94.3","0.03","3190.3","1.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C69 H67 B2 Cl4 N8 O6 Ru -","- C69 H67 B2 Cl4 N8 O6 Ru -","- C138 H134 B4 Cl8 N16 O12 Ru2 -","2","1","","Voloshin, Yan Z.; Chuprin, Alexander S.; Mosov, Danila O.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Budnikova, Yulia H.; Khrizanforova, Vera V.; Dedov, Alexey G.; Kottsov, Sergey Yu; Teplonogova, Maria A.; Ivanov, Vladimir K.","Novel ruthenium(II) hexachloromacrobicyclic complexes and their first polyaromatic-terminated diaminoclathrochelate derivative: preparation, structure, redox and adsorption characteristics, and electrocatalytic activity in the hydrogen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1765","1780","10.1039/d5dt02479j","","","0.7517","synchrotron","","0.0888","0.0655","","","0.1544","0.1678","","","","","","0.999","","","","has coordinates","305266","2026-04-04","19:22:24",""
"7720802","24.138","0.0014","8.3359","0.0005","15.9911","0.0009","90","","100.174","0.002","90","","3167","0.3","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 B2 Cl6 N6 O6 Ru -","- C26 H26 B2 Cl6 N6 O6 Ru -","- C104 H104 B8 Cl24 N24 O24 Ru4 -","4","0.5","","Voloshin, Yan Z.; Chuprin, Alexander S.; Mosov, Danila O.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Budnikova, Yulia H.; Khrizanforova, Vera V.; Dedov, Alexey G.; Kottsov, Sergey Yu; Teplonogova, Maria A.; Ivanov, Vladimir K.","Novel ruthenium(II) hexachloromacrobicyclic complexes and their first polyaromatic-terminated diaminoclathrochelate derivative: preparation, structure, redox and adsorption characteristics, and electrocatalytic activity in the hydrogen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1765","1780","10.1039/d5dt02479j","","","0.71073","MoKα","","0.0611","0.0405","","","0.1151","0.1237","","","","","","1.022","","","","has coordinates","305266","2026-04-04","19:22:24",""
"7720803","21.7876","0.0002","8.2892","0.0001","27.1254","0.0002","90","","99.786","0.001","90","","4827.61","0.08","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","MH3-017-ErNO3","","- C20 H21 Er N8 O9 -","- C20 H21 Er N8 O9 -","- C160 H168 Er8 N64 O72 -","8","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0366","0.0322","","","0.0855","0.0871","","","","","","1.122","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720804","8.6061","0.0001","16.2116","0.0001","14.6364","0.0001","90","","104.471","0.001","90","","1977.27","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MH3-017-DyCl","","- C18 H18 Cl3 Dy N4 -","- C18 H18 Cl3 Dy N4 -","- C72 H72 Cl12 Dy4 N16 -","4","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0351","0.0329","","","0.0903","0.0921","","","","","","1.158","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720805","21.7909","0.0003","8.2713","0.0001","27.1978","0.0003","90","","99.698","0.001","90","","4832.05","0.1","129.99","0.1","129.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","VF-YbNO3tpa-1-2","","- C20 H21 N8 O9 Yb -","- C20 H21 N8 O9 Yb -","- C160 H168 N64 O72 Yb8 -","8","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0328","0.0308","","","0.0831","0.0847","","","","","","1.094","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720806","8.581","0.0001","16.1558","0.0001","14.6367","0.0001","90","","104.374","0.001","90","","1965.61","0.03","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MH3-017-ErCl","","- C18 H18 Cl3 Er N4 -","- C18 H18 Cl3 Er N4 -","- C72 H72 Cl12 Er4 N16 -","4","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0232","0.0225","","","0.0567","0.0571","","","","","","1.091","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720807","8.5552","0.0001","16.1143","0.0001","14.6171","0.0001","90","","104.291","0.001","90","","1952.77","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MH3-017-YbCl","","- C18 H18 Cl3 N4 Yb -","- C18 H18 Cl3 N4 Yb -","- C72 H72 Cl12 N16 Yb4 -","4","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.028","0.0278","","","0.0724","0.0726","","","","","","1.149","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720808","21.9783","0.0003","8.4504","0.0001","27.0691","0.0004","90","","99.927","0.001","90","","4952.15","0.12","100","0.1","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","MH3-017-CeNO3","","- C20 H21 Ce N8 O9 -","- C20 H21 Ce N8 O9 -","- C160 H168 Ce8 N64 O72 -","8","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0368","0.0357","","","0.1032","0.1042","","","","","","1.112","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720809","21.8507","0.0003","8.3476","0.0001","27.1171","0.0003","90","","99.82","0.001","90","","4873.71","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","MH3-017-GdNO3","","- C20 H21 Gd N8 O9 -","- C20 H21 Gd N8 O9 -","- C160 H168 Gd8 N64 O72 -","8","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0385","0.0349","","","0.0904","0.0926","","","","","","1.1","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720810","21.7771","0.0002","8.2653","0.0001","27.1649","0.0002","90","","99.696","0.001","90","","4819.68","0.08","100.01","0.11","100.01","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","MH3-017-TmNO3","","- C20 H21 N8 O9 Tm -","- C20 H21 N8 O9 Tm -","- C160 H168 N64 O72 Tm8 -","8","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0278","0.0272","","","0.0779","0.0784","","","","","","1.078","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720811","21.8885","0.0003","8.3711","0.0001","27.1008","0.0003","90","","99.849","0.001","90","","4892.52","0.11","100","0.14","100","0.14","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","MH3-017-SmNO3","","- C20 H21 N8 O9 Sm -","- C20 H21 N8 O9 Sm -","- C160 H168 N64 O72 Sm8 -","8","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0299","0.0281","","","0.0721","0.073","","","","","","1.086","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720812","8.6251","0.0001","16.2353","0.0001","14.6448","0.0001","90","","104.511","0.001","90","","1985.31","0.03","100","0.4","100","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MH3-017-TbCl","","- C18 H18 Cl3 N4 Tb -","- C18 H18 Cl3 N4 Tb -","- C72 H72 Cl12 N16 Tb4 -","4","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0273","0.0266","","","0.0749","0.0758","","","","","","0.838","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720813","8.5963","0.0001","16.1773","0.0001","14.6344","0.0001","90","","104.401","0.001","90","","1971.19","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MH3-017-HoCl","","- C18 H18 Cl3 Ho N4 -","- C18 H18 Cl3 Ho N4 -","- C72 H72 Cl12 Ho4 N16 -","4","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0281","0.0275","","","0.0731","0.0736","","","","","","1.1","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720814","21.8449","0.0003","8.3187","0.0001","27.1436","0.0004","90","","99.773","0.002","90","","4860.99","0.12","100","0.15","100","0.15","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","MH3-017-TbNO3","","- C20 H21 N8 O9 Tb -","- C20 H21 N8 O9 Tb -","- C160 H168 N64 O72 Tb8 -","8","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.042","0.038","","","0.1077","0.1101","","","","","","1.12","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720815","8.5679","0.0001","16.1284","0.0001","14.6262","0.0001","90","","104.309","0.001","90","","1958.44","0.03","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MH3-017-TmCl","","- C18 H18 Cl3 N4 Tm -","- C18 H18 Cl3 N4 Tm -","- C72 H72 Cl12 N16 Tm4 -","4","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.03","0.0294","","","0.0774","0.0779","","","","","","1.073","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720816","21.8229","0.0002","8.3106","0.0001","27.1281","0.0003","90","","99.777","0.001","90","","4848.53","0.09","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","MH3-017-DyNO3","","- C20 H21 Dy N8 O9 -","- C20 H21 Dy N8 O9 -","- C160 H168 Dy8 N64 O72 -","8","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0275","0.025","","","0.0618","0.0628","","","","","","1.105","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720817","21.9161","0.0004","8.4144","0.0001","27.0806","0.0005","90","","99.914","0.002","90","","4919.38","0.14","100","0.11","100","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","MH3-017-NdNO3","","- C20 H21 N8 Nd O9 -","- C20 H21 N8 Nd O9 -","- C160 H168 N64 Nd8 O72 -","8","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0597","0.0511","","","0.1386","0.1415","","","","","","1.113","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720818","18.0875","0.0014","13.3416","0.0011","12.7322","0.0009","90","","94.982","0.005","90","","3060.9","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28.67 Br F12 Mn N4 O3.33 P2 -","- C21 H28 Br F12 Mn N4 O3.3333 P2 -","- C84 H112 Br4 F48 Mn4 N16 O13.3332 P8 -","4","1","","Kramer, Wesley W.; Sheridan, Thomas R.; Pérez-Vázquez, Jorge; Boivin, Christophe A.; Browne, Amanda M.; Logan, Catherine G.; Sanders, Brian C.","Pendant-cation assisted spontaneous axial halide substitution in group 7 M(L)(CO)<sub>3</sub>X complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5197","5209","10.1039/d5dt02433a","","","1.54178","CuKα","","0.1261","0.0783","","","0.165","0.1913","","","","","","1.019","","","","has coordinates","305268","2026-04-04","19:26:14",""
"7720819","13.0356","0.0006","13.2377","0.0006","14.7412","0.0007","113.893","0.0017","96.814","0.002","111.367","0.0018","2057.32","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H40.5 F18 N6.5 O3.5 P3 Re -","- C28 H40.5 F18 N6.5 O3.5 P3 Re -","- C56 H81 F36 N13 O7 P6 Re2 -","2","1","","Kramer, Wesley W.; Sheridan, Thomas R.; Pérez-Vázquez, Jorge; Boivin, Christophe A.; Browne, Amanda M.; Logan, Catherine G.; Sanders, Brian C.","Pendant-cation assisted spontaneous axial halide substitution in group 7 M(L)(CO)<sub>3</sub>X complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5197","5209","10.1039/d5dt02433a","","","0.71073","MoKα","","0.0644","0.0415","","","0.0665","0.0717","","","","","","1.031","","","","has coordinates,has disorder","305268","2026-04-04","19:26:14",""
"7720820","18.1497","0.001","13.5754","0.0009","12.6756","0.0008","90","","96.113","0.003","90","","3105.4","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29.5 Cl F12 N4.5 O3 P2 Re -","- C22 H29.5 Cl F12 N4.5 O3 P2 Re -","- C88 H118 Cl4 F48 N18 O12 P8 Re4 -","4","1","","Kramer, Wesley W.; Sheridan, Thomas R.; Pérez-Vázquez, Jorge; Boivin, Christophe A.; Browne, Amanda M.; Logan, Catherine G.; Sanders, Brian C.","Pendant-cation assisted spontaneous axial halide substitution in group 7 M(L)(CO)<sub>3</sub>X complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5197","5209","10.1039/d5dt02433a","","","0.71073","MoKα","","0.07","0.0442","","","0.0897","0.1007","","","","","","1.037","","","","has coordinates,has disorder","305268","2026-04-04","19:26:14",""
"9000190","6.463","","15.309","","6.341","","90.53","","101.08","","85.73","","613.98","","","","","","","","","","","","","4","P -1","-P 1","2","","","Romerite","- Fe3 H28 O30 S4 -","- Fe3 H28 O30 S4 -","- Fe3 H28 O30 S4 -","1","0.5","","Fanfani, L.; Nunzi, A.; Zanazzi, P. F.","The crystal structure of roemerite","American Mineralogist","1970","55","","78","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000191","14.926","","5.752","","5.204","","90","","90","","90","","446.786","","","","","","","","","","","","Synthetic","3","P b c n","-P 2n 2ab","60","","","Fersmite","- Ca Nb2 O6 -","- Ca Nb2 O6 -","- Ca4 Nb8 O24 -","4","0.5","","Cummings, J. P.; Simonsen, S. H.","The crystal structure of calcium niobate (CaNb2O6)","American Mineralogist","1970","55","","90","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000192","25.84","","5.126","","13.78","","90","","111.2","","90","","1701.72","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Dufrenite","- Ca Fe6 H8 O24 P4 -","- Ca Fe6 H8 O24 P4 -","- Ca4 Fe24 H32 O96 P16 -","4","0.5","","Moore, P. B.","Crystal chemistry of the basic iron phosphates","American Mineralogist","1970","55","","135","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000193","13.783","","16.805","","5.172","","90","","90","","90","","1197.96","","","","","","","","","","","","","4","B b m m","-B 2 2b","63","","","Rockbridgeite","- Fe5 H5 O17 P3 -","- Fe5 H5 O17 P3 -","- Fe20 H20 O68 P12 -","4","0.25","","Moore, P. B.","Crystal chemistry of the basic iron phosphates","American Mineralogist","1970","55","","135","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000194","17.14","","4.865","","5.548","","90","","91","","90","","462.556","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","Thoreaulite","- O7 Sn Ta2 -","- O7 Sn Ta2 -","- O28 Sn4 Ta8 -","4","0.5","","Mumme, W. G.","The crystal structure of SnTa2O7, thoreaulite, an example of tin in five-fold coordination","American Mineralogist","1970","55","","367","377","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000195","11.769","","11.769","","11.769","","106.5","","106.5","","106.5","","1375.67","","","","","","","","","","","","","5","R -3 :R","-P 3*","148","","","Loweite","- H36 Mg7 Na12 O67 S13 -","- H30 Mg7 Na12 O67 S13 -","- H30 Mg7 Na12 O67 S13 -","1","0.166667","","Fang, J. H.; Robinson, P. D.","Crystal structures and mineral chemistry of double-salt hydrates: II. The crystal structure of loeweite","American Mineralogist","1970","55","","378","386","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:07",""
"9000196","13.69","","18.25","","11.31","","90","","128.2","","90","","2220.61","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Stilbite-Na","- Al2.42 Ca0.84 H18 Na0.75 O24.12 Si6.64 -","- Al2.42 Ca0.84 H12.24 Na0.75 O24.12 Si6.64 -","- Al9.68 Ca3.36 H48.96 Na3 O96.48 Si26.56 -","4","0.5","","Slaughter, M.","Crystal structure of stilbite","American Mineralogist","1970","55","","387","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:07",""
"9000197","12.78","","9.33","","8.6","","90","","104.83","","90","","991.284","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Howlite","- B5 Ca2 H5 O14 Si -","- B5 Ca2 H5 O14 Si -","- B20 Ca8 H20 O56 Si4 -","4","1","","Finney, J. J.; Kumbasar, I.; Konnert, J. A.; Clark, J. R.","Crystal structure of the calcium silicoborate, howlite","American Mineralogist","1970","55","","716","728","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000198","4.811","","16.217","","10.403","","90","","93.02","","90","","810.515","","","","","","","","","","","","United Verde mine, Jerome, Arizona, USA","5","P 1 21/c 1","-P 2ybc","14","","","Ransomite","- Cu Fe2 H12 O22 S4 -","- Cu Fe2 H12 O22 S4 -","- Cu2 Fe4 H24 O44 S8 -","2","0.5","","Wood, M. M.","The crystal structure of ransomite","American Mineralogist","1970","55","","729","734","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000199","14.001","","5.675","","7.137","","90","","115.22","","90","","513.021","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","Phoenicochroite","- Cr O5 Pb2 -","- Cr O5 Pb2 -","- Cr4 O20 Pb8 -","4","0.5","","Williams, S. A.; McLean, W. J.; Anthony, J. W.","A study of phoenicochroite - its structure and properties","American Mineralogist","1970","55","","784","792","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000200","9.497","","11.443","","10.841","","120.5","","92.1","","55.83","","787.241","","","","","","","","","","","","","6","P -1","-P 1","2","","","Hemihedrite","- Cr6 F2 O32 Pb10 Si2 Zn -","- Cr6 F2 O32 Pb10 Si2 Zn -","- Cr6 F2 O32 Pb10 Si2 Zn -","1","0.5","","McLean, W. J.; Anthony, J. W.","The crystal structure of hemihedrite","American Mineralogist","1970","55","","1103","1114","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000201","10.842","","4.826","","11.324","","90","","103.93","","90","","575.086","","","","","","","","","","","","Franklin, New Jersey, USA","4","P 1 21/a 1","-P 2yab","14","","","Leucophoenicite","- H2 Mn7 O14 Si3 -","- H2 Mn7 O14 Si3 -","- H4 Mn14 O28 Si6 -","2","0.5","","Moore, P. B.","Edge-sharing silicate tetrahedra in the crystal structure of leucophoenicite","American Mineralogist","1970","55","","1146","1166","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000202","14.27","","5.16","","19.45","","90","","90","","90","","1432.17","","","","","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","Nordite-(La)","- La Na3 O17 Si6 Sr Zn -","- La Na3 O17 Si6 Sr Zn -","- La4 Na12 O68 Si24 Sr4 Zn4 -","4","0.5","","Bakakin, V. V.; Belov, N. V.; Borisov, S. V.; Solovyeva, L. P.","The crystal structure of nordite and its relationship to melilite and datolite-gadolinite","American Mineralogist","1970","55","","1167","1181","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000203","4.7284","","10.2539","","7.8404","","109.059","","90","","90","","359.3","","","","","","","","","","","","","6","P 21/b 1 1","-P 2xab","14","","","Chondrodite","- F1.3 Fe0.05 H0.7 Mg4.95 O8.7 Si2 -","- F1.3 Fe0.05 H0.7 Mg4.95 O8.7 Si2 -","- F2.6 Fe0.1 H1.4 Mg9.9 O17.4 Si4 -","2","0.5","","Gibbs, G. V.; Ribbe, P. H.; Anderson, C. P.","The crystal structures of the humite minerals. II. Chondrodite","American Mineralogist","1970","55","","1182","1194","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000204","9.706","","8.95","","5.246","","90","","108.59","","90","","431.936","","","","","","","","","","","","Isle of Mull, Scotland","5","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Ca0.18 Fe1.04 Mg0.78 O6 Si2 -","- Ca0.18 Fe1.04 Mg0.78 O6 Si2 -","- Ca0.72 Fe4.16 Mg3.12 O24 Si8 -","4","1","","Morimoto, N.; Guven, N.","Refinement of the crystal structure of pigeonite","American Mineralogist","1970","55","","1195","1209","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000205","8.727","","18.847","","6.062","","90","","90","","90","","997.064","","","","","","","","","","","","","4","I b m m","-I 2c 2c","74","","","Manganostibite","- As Mn7 O12 Sb -","- As Mn7 O12 Sb -","- As4 Mn28 O48 Sb4 -","4","0.25","","Moore, P. B.","Manganostibite: A novel cubic close-packed structure type","American Mineralogist","1970","55","","1489","1499","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000206","10.922","","10.922","","17.084","","90","","90","","120","","1764.92","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","Coquimbite","- Al0.9 Fe3.1 H36 O42 S6 -","- Al0.9 Fe3.1 H36 O42 S6 -","- Al1.8 Fe6.2 H72 O84 S12 -","2","0.166667","","Fang, J. H.; Robinson, P. D.","Crystal structures and mineral chemistry of hydrated ferric sulfates. I. The crystal structure of coquimbite","American Mineralogist","1970","55","","1534","1540","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000207","12.74","","13.63","","7.33","","90","","90","","90","","1272.83","","","","","","","","","","","","Narsarsuk, Greenland","4","P n m a","-P 2ac 2n","62","","","Epididymite","- Be Na O8 Si3 -","- Be Na O8 Si3 -","- Be8 Na8 O64 Si24 -","8","1","","Robinson P D; Fang J H","The crystal structure of epididymite","American Mineralogist","1970","55","","1541","1549","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000208","5.33","","9.18","","17.45","","90","","97","","90","","847.454","","","","","","","","","","","","","8","C 1 2 1","C 2y","5","","","Vermiculite","- C12 H2 Al1.43 Fe0.48 Mg2.37 N2 O16 Si2.72 -","- C12 H2 Al1.43 Fe0.48 Mg2.37 N2 O16 Si2.72 -","- C24 H4 Al2.86 Fe0.96 Mg4.74 N4 O32 Si5.44 -","2","0.5","","Kanamaru, F.; Vand, V.","The crystal structure of a clay-organic complex of 6-amino hexanoic acid and vermiculite","American Mineralogist","1970","55","","1550","1561","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:32",""
"9000209","12.817","","14.448","","12.783","","90","","101.42","","90","","2320.29","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Strontioginorite","- B14 Ca H16 O31 Sr -","- B14 Ca H16 O31 Sr -","- B56 Ca4 H64 O124 Sr4 -","4","1","","Konnert, J. A.; Clark, J. R.; Christ, C. L.","Crystal structure of strontioginorite, (Sr,Ca)2B14O20(OH)6.5H2O","American Mineralogist","1970","55","","1911","1931","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000210","18.531","","17.741","","5.249","","90","","90","","90","","1725.65","","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","Gedrite","- Al2.96 Ca0.04 Fe1.26 Mg4.48 Na0.36 O24 Si6.24 -","- Al2.96 Ca0.04 Fe1.26 Mg4.48 Na0.36 O24 Si6.24 -","- Al11.84 Ca0.16 Fe5.04 Mg17.92 Na1.44 O96 Si24.96 -","4","0.5","","Papike, J. J.; Ross, M.","Gedrites: Crystal structures and intracrystalline cation distributions sample 001","American Mineralogist","1970","55","","1945","1972","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000211","18.601","","17.839","","5.284","","90","","90","","90","","1753.35","","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","Sodicgedrite","- Al3.4 Ca0.04 Fe2.53 Mg3.05 Na0.54 O24 Si5.96 -","- Al3.4 Ca0.04 Fe2.53 Mg3.05 Na0.54 O24 Si5.96 -","- Al13.6 Ca0.16 Fe10.12 Mg12.2 Na2.16 O96 Si23.84 -","4","0.5","","Papike, J. J.; Ross, M.","Gedrites: Crystal structures and intracrystalline cation distributions sample 002","American Mineralogist","1970","55","","1945","1972","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000212","10.754","","18.865","","9.884","","90","","90","","90","","2005.21","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Synadelphite","- As3 H13 Mn9 O22 -","- As3 H13 Mn9 O22 -","- As12 H52 Mn36 O88 -","4","0.5","","Moore, P. B.","Crystal chemistry of the basic manganese arsenates: IV. Mixed arsenic valences in the crystal structure of synadelphite","American Mineralogist","1970","55","","2023","2037","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000213","11.526","","11.526","","11.526","","90","","90","","90","","1531.21","","","","","","","","","","","","","8","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al1.352 Ca0.09 Cr0.572 Fe0.355 Mg2.625 Mn0.015 O12 Si2.988 -","- Al1.352 Ca0.09 Cr0.572 Fe0.355 Mg2.625 Mn0.015 O12 Si2.988 -","- Al10.816 Ca0.72 Cr4.576 Fe2.84 Mg21 Mn0.12 O96 Si23.904 -","8","0.0833333","","Novak, G. A.; Meyer, H. O. A.","Refinement of the crystal structure of a chrome pyrope garnet: An inclusion in natural diamond","American Mineralogist","1970","55","","2124","2127","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9009478","19.037","","9.479","","14.231","","90","","111.04","","90","","2396.8","","","","","","","","","","","","Tolbachik fissure eruption, Kamchatka Peninsula, Russia","4","C 1 2/c 1","-C 2yc","15","","","Fedotovite","- Cu3 K2 O13 S3 -","- Cu3 K2 O13 S3 -","- Cu24 K16 O104 S24 -","8","1","","Starova, G. L.; Filatov, S. K.; Fundamensky, V. S.; Vergasova, L. P.","The crystal structure of fedotovite, K2Cu3O(SO4)3 Note: x(S3), z(S3), and z(O11) changed to match bond length table","Mineralogical Magazine","1991","55","","613","616","10.1180/minmag.1991.055.381.14","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9010012","12.74","","13.63","","7.33","","90","","90","","90","","1272.83","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","Epididymite","- Be2 H Na2 O16 Si6 -","- Be2 H Na2 O16 Si6 -","- Be8 H4 Na8 O64 Si24 -","4","0.5","","Robinson, P. D.; Fang, J. H.","The crystal structure of epididymite Locality: Narsarsuk, Greenland","American Mineralogist","1970","55","","1541","1549","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011596","3.19","","3.19","","23.85","","90","","90","","120","","210.184","","","","","","","","","","","","Synthetic","4","R -3 m :H","-R 3 2""","166","","","Fougerite","- Cl0.5 Fe H13.75 O2.25 -","- Cl0.49998 Fe H2.74996 O2.24998 -","- Cl1.49994 Fe3 H8.24988 O6.74994 -","3","0.0833333","","Trolard, F.; Bourrie, G.; Abdelmoula, M.; Refait, P.; Feder, F.","Fougerite, a new mineral of the pyroaurite-iowaite group: Description and crystal structure","Clays and Clay Minerals","2007","55","","323","334","10.1346/CCMN.2007.0550308","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9012387","6.577","","4.61","","11.122","","90","","101.59","","90","","330.343","","","","","","","","","","","","Synthetic","2","P 1 21/c 1","-P 2ybc","14","","","Luberoite","- Pt5 Se4 -","- Pt5 Se4 -","- Pt10 Se8 -","2","0.5","","Matkovic, P.; Schubert, K.","Kristallstruktur von Pt5Se4","Journal of the Less-Common Metals","1977","55","","185","190","10.1016/0022-5088(77)90191-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012864","9.585","","13.143","","8.0884","","90","","90","","90","","1018.94","","","","","","","","","","","","Roua, northwestern part of Alpes-Maritimes, France","5","P n m a","-P 2ac 2n","62","","","Radovanite","- As3 Cu2 Fe H4 O11 -","- As3 Cu2 Fe H4 O11 -","- As12 Cu8 Fe4 H16 O44 -","4","0.5","","Sarp, H.; Guenee, L.","Radovanite, Cu2Fe3+(As5+O4)(As3+O2OH)2H2O, a new mineral: its description and crystal structure","Archives des Sciences, Geneve","2002","55","","47","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013499","9.083","","10.754","","5.412","","90","","90","","90","","528.636","","","","","","","","","","","","Allchar, FYR Macedonia","3","C m c m","-C 2c 2","63","","","Picotpaulite","- Fe2 S3 Tl -","- Fe2 S3 Tl -","- Fe8 S12 Tl4 -","4","0.25","","Balic-Zunic T; Karanovic, L.; Poleti, D.","Crystal structure of picotpaulite, TlFe2S3, from Allchar, FYR Macedonia","Acta Chimica Slovenica","2008","55","","801","809","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9015009","11.0464","","11.0464","","8.7211","","90","","90","","120","","921.602","","","","","","","","","","","","H61Z vein, Haje ore deposit, Pribram distict, Czech Republic","3","R 3 c :H","R 3 -2""c","161","","","Pyrargyrite","- Ag3 S3 Sb -","- Ag3 S3 Sb -","- Ag18 S18 Sb6 -","6","0.333333","","Laufek, F.; Sejkora, J.; Dusek, M.","The role of silver in the crystal structure of pyrargyrite: single crystal X-ray diffraction study","Journal of Geosciences","2010","55","","161","167","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015353","5.6973","","17.1823","","23.5718","","90","","90","","90","","2307.51","","","","","","","","","","","","Tashelga River, Western Siberia, Russia","6","P 1 c 1","P -2yc","7","","","Tashelgite","- Al9 Ca Fe H Mg O17 -","- Al9 Ca Fe H Mg O17 -","- Al72 Ca8 Fe8 H8 Mg8 O136 -","8","4","","Rastsvetaeva, R. K.; Aksenov, S. M.; Verin, I. A.","Crystal structure of complex natural aluminum magnesium calcium iron oxide","Crystallography Reports","2010","55","","563","568","10.1134/S106377451004005X","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9017849","30.1543","","3.9953","","21.4262","","90","","104.265","","90","","2501.74","","","","","","","","","","","","Khaydarkan, Kyrgyzstan","3","A 1 2/a 1","-A 2ya","15","","","Livingstonite","- Hg S8 Sb4 -","- Hg S8 Sb4 -","- Hg8 S64 Sb32 -","8","1","","Borisov, S. V.; Perukhina, N. V.; Magarill, S. A.; Kuratieva, N. V.; Vasil'ev, V. I.","Crystallographic analysis of the structure of livingstonite HgSb4S8 from refined data","Crystallography Reports","2010","55","","224","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""