# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T11:27:40+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 41/a' 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
"1513098","35.5457","0.0006","35.5457","0.0006","29.5785","0.0008","90","","90","","90","","37372.3","1.3","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C54 H107 Cl2 N35 O40 -","- C54 H55 Cl2 N35 O37 -","- C864 H880 Cl32 N560 O592 -","16","","","Ma, Wen-Juan; Chen, Jia-Mei; Jiang, Long; Yao, Jia; Lu, Tong-Bu","The Delivery of Triamterene by Cucurbit[7]uril: Synthesis, Structures and Pharmacokinetics Study.","Molecular pharmaceutics","2013","10","12","4698","4705","10.1021/mp400529m","","","1.54184","CuKα","","0.1433","0.1123","","","0.2241","0.2377","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513100","40.8323","0.0004","40.8323","0.0004","23.3137","0.0005","90","","90","","90","","38870.4","1","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C54 H113 Cl2 N35 O43 -","- C54 H55 Cl2 N35 O39 -","- C864 H880 Cl32 N560 O624 -","16","","","Ma, Wen-Juan; Chen, Jia-Mei; Jiang, Long; Yao, Jia; Lu, Tong-Bu","The Delivery of Triamterene by Cucurbit[7]uril: Synthesis, Structures and Pharmacokinetics Study.","Molecular pharmaceutics","2013","10","12","4698","4705","10.1021/mp400529m","","","1.54184","CuKα","","0.1686","0.1354","","","0.2449","0.2592","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518213","35.5669","0.0009","35.5669","0.0009","7.2973","0.0002","90","","90","","90","","9231.1","0.4","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C28 H20 Au N S2 -","- C27.9952 H19.997 Au N S1.9994 -","- C447.923 H319.952 Au16 N16 S31.9904 -","16","","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0349","0.0326","","","0.0639","0.0646","","","","","","1.399","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518453","28.1062","0.0003","28.1062","0.0003","14.709","0.0002","90","","90","","90","","11619.5","0.2","140.15","","140.15","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C32 H31 F3 N4 O6 -","- C32 H31 F3 N4 O6 -","- C512 H496 F48 N64 O96 -","16","","","Jiao, Wei-Hua; Chen, Guo-Dong; Gao, Hao; Li, Jing; Gu, Bin-Bin; Xu, Ting-Ting; Yu, Hao-Bing; Shi, Guo-Hua; Yang, Fan; Yao, Xin-Sheng; Lin, Hou-Wen","(±)-Quassidines I and J, Two Pairs of Cytotoxic Bis-β-carboline Alkaloid Enantiomers from Picrasma quassioides.","Journal of natural products","2015","78","1","125","130","10.1021/np500801s","","","1.54178","CuKα","","0.0541","0.0511","","","0.1377","0.1406","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520712","16.4641","0.0005","16.4641","0.0005","53.397","0.002","90","","90","","90","","14474.1","0.8","123","2","123","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C80 H52 N24 O20 S4 Zn4 -","- C80 H52 N24 O20 S4 Zn4 -","- C320 H208 N96 O80 S16 Zn16 -","4","","","Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari","Mixed valence mono- and hetero-metallic grid catenanes","Chem. Sci.","2015","6","10","5712","","10.1039/C5SC01851J","","","0.71073","MoKα","","0.0976","0.0647","","","0.1723","0.1994","","","","","","1.049","","","","has coordinates,has disorder","170935","2020-10-21","18:00:00",""
"1533373","37.1846","0.0013","37.1846","0.0013","9.743","0.0003","90","","90","","90","","13471.6","0.8","180","2","180","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C28 H42 Au Cl3 N4 O -","- C28 H40 Au Cl3 N4 O -","- C448 H640 Au16 Cl48 N64 O16 -","16","","","Ramsay, William J.; Foster, Jonathan A.; Moore, Katharine L.; Ronson, Tanya K.; Mirgalet, Raphaël J.; Jefferson, David A.; Nitschke, Jonathan R.","AuICl-bound N-heterocyclic carbene ligands form MII4(LAuCl)6integrally gilded cages","Chem. Sci.","2015","6","12","7326","","10.1039/C5SC03065J","","","1.54178","CuKα","","0.0539","0.0472","","","0.1188","0.1237","","","","","","1.044","","","","has coordinates,has disorder","170965","2020-10-21","18:00:00",""
"1534395","33.379","0.005","33.379","0.005","40.257","0.008","90","","90","","90","","44853","13","173.15","","173.15","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C99 H88 F6 N5 O7 P -","- C99 H88 F6 N5 O7 P -","- C1584 H1408 F96 N80 O112 P16 -","16","","","Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng","Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes","Chem. Sci.","2016","7","1","469","","10.1039/C5SC03511B","","","0.71073","MoKα","","0.1898","0.1781","","","0.483","0.4905","","","","","","1.94","","","","has coordinates","175916","2020-10-21","18:00:00",""
"1540715","28.4784","0.0007","28.4784","0.0007","13.6334","0.0004","90","","90","","90","","11057","0.5","200.01","0.1","200.01","0.1","","","","","","","","5","I 41/a","-I 4ad","88","","Sr-NDI","","- C44 H44 N4 O23 Sr2 -","- C44 H44 N4 O23 Sr2 -","- C352 H352 N32 O184 Sr16 -","8","","","Garai, Bikash; Mallick, Arijit; Banerjee, Rahul","Photochromic metal‒organic frameworks for inkless and erasable printing","Chem. Sci.","2016","7","3","2195","","10.1039/C5SC04450B","","x-ray","0.71073","MoKα","","0.181","0.1393","","","0.3624","0.3919","","","","","","0.93","","","","has coordinates","177715","2020-10-21","18:00:00",""
"1543328","17.5664","0.0003","17.5664","0.0003","44.8654","0.0011","90","","90","","90","","13844.5","0.5","150","2","150","2","","","","","","","","4","I 41/a","-I 4ad","88","","2,3-bis(5-octylthiophen-2-yl)-5,8-di(thiophen-2-yl)quinoxaline","","- C40 H46 N2 S4 -","- C40 H46 N2 S4 -","- C640 H736 N32 S64 -","16","","","Caffy, F.; Delbosc, N.; Chávez, P.; Lévêque, P.; Faure-Vincent, J.; Travers, J.-P.; Djurado, D.; Pécaut, J.; Grévin, B.; Lemaitre, N.; Leclerc, N.; Demadrille, R.","Synthesis, optoelectronic properties and photovoltaic performances of wide band-gap copolymers based on dibenzosilole and quinoxaline units, rivals to P3HT","Polym. Chem.","2016","7","25","4160","","10.1039/C6PY00370B","","","0.71073","MoKα","","0.1014","0.0556","","","0.1151","0.1373","","","","","","1.032","","","","has coordinates,has disorder","185678","2020-10-21","18:00:00",""
"1543760","57.941","0.006","57.941","0.006","10.6631","0.0012","90","","90","","90","","35798","7","93","2","93","2","","","","","","","","7","I 41/a","-I 4ad","88","","[8]+","","- C87 H101 Cl10 N5 Ni O Sb -","- C87 H101 Cl10 N5 Ni O Sb -","- C1392 H1616 Cl160 N80 Ni16 O16 Sb16 -","16","","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.1022","0.0992","","","0.2675","0.2692","","","","","","1.079","","","","has coordinates,has disorder","196314","2020-10-21","18:00:00",""
"1544162","29.2891","0.0019","29.2891","0.0019","18.1917","0.0013","90","","90","","90","","15605.8","1.8","173","2","173","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C29 H34 N2 O6 S -","- C29 H34 N2 O6 S -","- C464 H544 N32 O96 S16 -","16","","","Kong, A.; Mancheno, D. E.; Boudet, N.; Delgado, R.; Andreansky, E. S.; Blakey, S. B.","Total synthesis of malagashanine: a chloroquine potentiating indole alkaloid with unusual stereochemistry.","Chemical science","2017","8","1","697","700","10.1039/c6sc03578g","","","1.54178","CuKα","","0.1707","0.069","","","0.1637","0.219","","","","","","1.014","","","","has coordinates","196321","2020-10-21","18:00:00",""
"1544461","5.294","0.008","5.294","0.008","11.498","0.0008","90","","90","","90","","322.2","0.7","","","","","","","","","","","","4","I 41/a","-I 4ad","88","LiCeW2O8","","","- Ce Li O8 W2 -","- Ce0.5 Li0.5 O4 W -","- Ce2 Li2 O16 W4 -","4","","","Shimemura, T.; Sawaguchi, N.; Sasaki, M.","Synthesis and emission properties of scheelite-type LiCe(WO4)2","Journal of the Ceramic Society of Japan","2016","124","","938","942","","","","","","","","","","","","","","","","","","","","","","has coordinates","187798","2020-10-21","18:00:00",""
"1544511","16.9129","0.0003","16.9129","0.0003","25.3688","0.0018","90","","90","","90","","7256.6","0.5","93","","93","","","","","","","","","6","I 41/a","-I 4ad","88","Ir(pyalk)2Cl2, ""maroon isomer""","trans-Cl, cis-O, cis-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C16 H20 Cl2 Ir N2 O2 -","- C16 H20 Cl2 Ir N2 O2 -","- C256 H320 Cl32 Ir16 N32 O32 -","16","","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","1.54187","CuKα","","0.0239","0.0234","","","0.0516","0.0519","","","","","","1.036","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1546291","13.7002","0.0002","13.7002","0.0002","19.4438","0.0004","90","","90","","90","","3649.51","0.11","","","","","","","","","","","","4","I 41/a","-I 4ad","88","silica clathrate sII","","chibaite","- Al0.024 Na0.015 O4 Si1.978 -","- C0.277647 O2 T -","- C18.88 O136 T68 -","68","","","Momma, K.; Ikeda, T.; Nishikubo, K.; Takahashi, N.; Honma, C.; Takada, M.; Furukawa, Y.; Nagase, T.; Kudoh, Y.","New silica clathrate minerals that are isostructural with natural gas hydrates","Nature Communications","2011","2","","1","7","10.1138/ncomms1196","","","","","","","","","","","","","","","","","","","","","has coordinates","197736","2020-10-21","18:00:00",""
"1546350","15.3093","0.0002","15.3093","0.0002","15.8346","0.0004","90","","90","","90","","3711.23","0.12","180","0.2","180","0.2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C43 H3 F20 N4 Ni O2 -","- C43 H3 F20 N4 Ni O2 -","- C172 H12 F80 N16 Ni4 O8 -","4","","","Wu, Zhuo-Yan; Wang, Teng; Meng, Yin-Shan; Rao, Yu; Gao, Song; Zheng, Jie; Wang, Bing-Wu; Zhang, Jun-Long","Enhancing the Reactivity of Nickel(II) in Hydrogen Evolution Reactions (HER) by β-Hydrogenation of Porphyrinoid Ligands","Chem. Sci.","2017","","","","","10.1039/C7SC02073B","","x-ray","0.71073","MoKα","","0.0374","0.0366","","","0.1056","0.1064","","","","","","1.048","","","","has coordinates,has disorder","197954","2020-10-21","18:00:00",""
"1546388","25.5118","0.0015","25.5118","0.0015","12.1914","0.0008","90","","90","","90","","7934.8","0.8","100","2","100","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C14 H6 B2 F3 K2 N7 O -","- C14 H6 B2 F3 K2 N7 O -","- C224 H96 B32 F48 K32 N112 O16 -","16","","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0933","0.0734","","","0.1464","0.1519","","","","","","1.272","","","","has coordinates,has disorder","198148","2020-10-21","18:00:00",""
"1547691","24.905","0.003","24.905","0.003","7.5896","0.001","90","","90","","90","","4707.5","1","223","2","223","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C41 O14 P4 -","- C41 O16 P4 -","- C164 O64 P16 -","4","","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.0989","0.0763","","","0.2121","0.2332","","","","","","1.059","","","","has coordinates,has disorder","202054","2020-10-21","18:00:00",""
"1549090","4.734","","4.734","","10.51","","90","","90","","90","","235.537","","","","","","","","","","","","","3","I 41/a","I 4bw -1bw","88","ZrSiO4 scheelite structure","","reidite","- O4 Si Zr -","- O4 Si Zr -","- O16 Si4 Zr4 -","4","","","Kusaba, K.; Yagi, T.; Kikuchi, M.; Syono, Y.","Structural considerations on the mechanism of the shock-induced zircon-scheelite transition in ZrSiO4","Journal of Physics and Chemistry of Solids","1986","47","","675","679","","","","","","","","","","","","","","","","","","","","","","has coordinates","207030","2020-10-21","18:00:00",""
"1549091","4.776","","4.776","","10.62","","90","","90","","90","","242.244","","","","","","","","","","","","","3","I 41/a","I 4bw -1bw","88","ZrSiO4 scheelite structure","","reidite dft calculation","- O4 Si Zr -","- O4 Si Zr -","- O16 Si4 Zr4 -","4","","","Smirnov, M.B.; Sukhomlinov, S.V.; Smirnov, S.","Vibrational specturm of reidite ZrSiO4 from first principles","Physical Review B","2010","82","","094307","-","","","","","","","","","","","","","","","","","","","","","","has coordinates","207031","2020-10-21","18:00:00",""
"1550132","22.7253","0.0004","22.7253","0.0004","7.5782","0.0002","90","","90","","90","","3913.68","0.14","100","2","100","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C11 H16 O -","- C11 H16 O -","- C176 H256 O16 -","16","","","Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas","A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture","Chemical Science","2019","","","","","10.1039/C8SC03835J","","x-ray","1.54184","CuKα","","0.0579","0.0529","","","0.1395","0.1431","","","","","","1.081","","","","has coordinates","211694","2020-10-21","18:00:00",""
"1550845","16.8114","0.0006","16.8114","0.0006","17.8288","0.0006","90","","90","","90","","5038.8","0.3","153","1","153","1","","","","","","","","4","I 41/a","-I 4ad","88","","2,8-Dimethyl-5,11-bis[3-(methylsulfanyl)propyl]-1<i>H</i>,7<i>H</i>-diimidazo[<i>c</i>,<i>h</i>][1,6]diazecine","","- C20 H34 N6 S2 -","- C20 H34 N6 S2 -","- C160 H272 N48 S16 -","8","","TK4057","Gasque, Laura; Zermeño, Edgar; Bernès, Sylvain","2,8-Dimethyl-5,11-bis[3-(methylsulfanyl)propyl]-1<i>H</i>,7<i>H</i>-diimidazo[<i>c</i>,<i>h</i>][1,6]diazecine","IUCrData","2019","4","4","x190441","","10.1107/S2414314619004413","","x-ray","0.56083","AgKα","","0.0622","0.0476","","","0.1299","0.1379","","","","","","0.973","","","","has coordinates,has disorder,has Fobs","214506","2020-10-21","18:00:00",""
"1551102","35.9168","0.0011","35.9168","0.0011","32.8056","0.0014","90","","90","","90","","42320","3","100.01","0.1","100.01","0.1","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C85 H126 N17 O17 P -","- C82.5 H84 N17 O17 P -","- C1320 H1344 N272 O272 P16 -","16","","","Fan, Xiaoxia; Zhang, Dan; Jiang, Shiyu; Wang, Heng; Lin, Lin-Ting; Zheng, Bo; Xu, Wen-Hua; Zhao, Yanxia; Hay, Benjamin P.; Chan, Yi-Tsu; Yang, Xiao-Juan; Li, Xiaopeng; Wu, Biao","Construction and interconversion of anion-coordination-based (‘aniono’) grids and double helicates modulated by counter-cations","Chemical Science","2019","","","","","10.1039/C9SC02012H","","x-ray","0.71073","MoKα","","0.161","0.1007","","","0.282","0.3029","","","","","","1.169","","","","has coordinates","215430","2020-10-21","18:00:00",""
"2000801","5.135","0.001","5.135","0.001","33.882","0.005","90","","90","","90","","893.4","0.4","293","","","","","","","","","","","5","I 41/a","-I 4ad","","","","","- As Ca2 O12 W2 Y -","- As Ca2 O12 W2 Y -","- As4 Ca8 O48 W8 Y4 -","4","","NA1005","Demartin, F.; Gramaccioli, C. M.; Pilati, T.","Structure of a new natural tungstate arsenate, [Ca~2~Y(AsO~4~)(WO~4~)~2~], structurally related to scheelite","Acta Crystallographica Section C","1992","48","7","1357","1359","10.1107/S0108270192003688","","","0.71073","MoKα","","","0.024","","","0.027","","","","","1.104","1.104","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000906","14.696","0.003","14.696","0.003","15.853","0.003","90","","90","","90","","3423.8","1.2","","","","","","","","","","","","4","I 41/a","I 4bw -1bw","","","","","- C20 H16 Br2 N2 -","- C20 H16 Br2 N2 -","- C160 H128 Br16 N16 -","8","","AS0544","Mori, Y.; Matsuyama, Y.; Yamada, S.; Maeda, K.","Structures of 2,2'-polymethylene-1,1'-biisoquinolinium dibromides","Acta Crystallographica Section C","1992","48","5","894","897","10.1107/S0108270191011885","","","0.71068","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001359","22.386","0.004","22.386","0.004","13.8834","0.0007","90","","90","","90","","6957.4","1.8","","","","","","","","","","","","3","I 41/a","-I 4ad","","","","","- C10 H10 S2 -","- C10 H10 S2 -","- C320 H320 S64 -","32","","SE1016","Brett, W. A.; Rademacher, P.; Boese, R.","Structure of 1,3,6,8-tetrahydrodithieno[3,4-<i>a</i>:3',4'-<i>c</i>]benzene","Acta Crystallographica Section C","1993","49","9","1566","1568","10.1107/S0108270193005074","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001475","27.699","0.003","27.699","0.003","6.169","0.001","90","","90","","90","","4733.1","1.1","297","","","","","","","","","","","3","I 41/a","-I 4ad","88","","5,5',6,6'-tetraphenyl-3,3'-bi-1,2,4-triazine","","- C30 H20 N6 -","- C30 H20 N6 -","- C240 H160 N48 -","8","","SE1020","Breu, J.; Range, K.-J.","Structure of 5,5',6,6'-tetraphenyl-3,3'-bi-1,2,4-triazine","Acta Crystallographica Section C","1993","49","8","1541","1543","10.1107/S0108270193001556","","","1.54185","CuKα","","","0.066","","","0.034","","","","","","","","","","","has coordinates","203843","2020-10-21","18:00:00",""
"2001934","5.68174","0.00015","5.68174","0.00015","12.7118","0.0004","90","","90","","90","","410.36","0.02","","","","","","","","","","","","3","I 41/a","-I 4ad","","","","","- K O4 Re -","- K O4 Re -","- K4 O16 Re4 -","4","","BR0017","Brown, R. J. C.; Powell, B. M.; Stuart, S. N.","Thermal effects in the structure of potassium perrhenate","Acta Crystallographica Section C","1993","49","2","214","216","10.1107/S0108270192003706","","neutron","1.49978","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001935","5.66115","0.00011","5.66115","0.00011","12.611","0.0003","90","","90","","90","","404.165","0.015","","","","","","","","","","","","3","I 41/a","-I 4ad","","","","","- K O4 Re -","- K2 O4 Re -","- K8 O16 Re4 -","4","","BR0017","Brown, R. J. C.; Powell, B. M.; Stuart, S. N.","Thermal effects in the structure of potassium perrhenate","Acta Crystallographica Section C","1993","49","2","214","216","10.1107/S0108270192003706","","neutron","1.49978","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001936","5.65029","0.00008","5.65029","0.00008","12.5556","0.0002","90","","90","","90","","400.847","0.01","","","","","","","","","","","","3","I 41/a","-I 4ad","","","","","- K O4 Re -","- K4 O16 Re4 -","- K4 O16 Re4 -","","","BR0017","Brown, R. J. C.; Powell, B. M.; Stuart, S. N.","Thermal effects in the structure of potassium perrhenate","Acta Crystallographica Section C","1993","49","2","214","216","10.1107/S0108270192003706","","neutron","1.49978","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005834","13.791","0.002","13.791","0.002","20.313","0.004","90","","90","","90","","3863.4","1.1","294","","294","","","","","","","","","5","I 41/a","I 4bw -1bw","","","","","- C12 H21 Cd N6 O6.5 -","- C12 H20 Cd N6 O6.5 -","- C96 H160 Cd8 N48 O52 -","8","","TA1102","Chotalia, R.; Hambley, T. W.; Ridley, D. D.; Turner, P.","A Cadmium(II) Complex of Creatinine, [Cd(C~2~H~3~O~2~)~2~(C~4~H~7~N~3~O)~2~].0.5H~2~O","Acta Crystallographica Section C","1996","52","12","3043","3045","10.1107/S0108270196009833","","","0.7107","MoKα","","0.0305","0.0305","","0.0302","0.0302","","","","2.798","2.798","2.798","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009460","23.971","0.002","23.971","0.002","14.398","0.002","90","","90","","90","","8273.2","1.5","293","","","","","","","","","","","6","I 41/a","-I 4ad","","","","","- C7 H26 B18 Co N O2 -","- C7 H26 B18 Co N O2 -","- C112 H416 B288 Co16 N16 O32 -","16","","KA1022","Císařová, I.; Malý, K.; Hummel, L.","Bridged bis(dicarbadodecaborane)cobalt(III)","Acta Crystallographica Section C","1994","50","2","198","200","10.1107/S0108270193007127","","","0.71073","MoKα","","","0.051","","","0.064","","","","","1.33","1.33","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009848","17.3167","0.0013","17.3167","0.0013","8.8439","0.0005","90","","90","","90","","2652","0.3","293","","","","","","","","","","","4","I 41/a","-I 4ad","","","","","- C28 H16 F12 Sn -","- C28 H16 F12 Sn -","- C112 H64 F48 Sn4 -","4","","CD1031","Smith, F.E.; Khoo, L.E.; Hynes, R.C.; Zhang, Y.Z.; Eng, G.","Tetrakis[<i>m</i>-(trifluoromethyl)phenyl]tin(IV)","Acta Crystallographica Section C","1994","50","7","1046","1049","10.1107/S0108270193011825","","","1.54056","Cu","","","0.031","","","0.042","","","","","3.27","3.27","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009895","15.655","0.002","15.655","0.002","23.554","0.003","90","","90","","90","","5772.6","1.3","294","","","","","","","","","","","6","I 41/a","-I 4ad","","","","","- Cl5 H18 Ir N4 O3 Pt -","- Cl5 H18 Ir N4 O3 Pt -","- Cl80 H288 Ir16 N64 O48 Pt16 -","16","","PA1068","Garner, E.; Bele, M.","Tetraammineplatinum(II) aquapentachloroiridate(III) dihydrate, [Pt(NH~3~)~4~][IrCl~5~(H~2~O)].2H~2~O","Acta Crystallographica Section C","1994","50","7","994","996","10.1107/S0108270193012090","","","0.71069","MoKα","","","0.0404","","","0.0441","","","","","0.808","0.808","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2009950","19.531","0.003","19.531","0.003","14.131","0.003","90","","90","","90","","5390.4","1.6","293","","","","","","","","","","","4","I 41/a","-I 4ad","","","","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C240 H208 N16 O64 -","16","","HA1084","Chandra Mohan, K.; Ravikumar, K.; Vittal, T. V. S. K.; Gido, C. K.","2-(3-Benzyloxy-4-nitrophenyl)oxirane, an intermediate in the synthesis of formoterol","Acta Crystallographica Section C","1994","50","8","1294","1295","10.1107/S0108270193014477","","","0.71063","MoKα","","","0.05","","","0.058","","","","","1.15","1.15","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019867","15.7293","0.0008","15.7293","0.0008","27.901","0.0014","90","","90","","90","","6903","0.6","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","Dodeca-μ~2~-acetato-κ^24^-<i>O</i>:<i>O</i>'-tetraaquatetra-μ~2~-nitro-κ^8^<i>O</i>:<i>O</i>'-octa-μ~3~-oxido-tetra-μ~2~-oxido-tetramanganese(IV)octamanganese(III) nitromethane tetrasolvate","","- C28 H56 Mn12 N8 O60 -","- C28 H56 Mn12 N8 O60 -","- C112 H224 Mn48 N32 O240 -","4","","FA3358","Thuijs, Annaliese E.; Christou, George; Abboud, Khalil A.","[Mn~12~O~12~(O~2~CMe)~12~(NO~3~)~4~(H~2~O)~4~]: facile synthesis of a new type of Mn~12~ complex","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002326","","","0.71073","MoKα","","0.0348","0.0255","","","0.0635","0.0662","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2020778","33.1506","0.0012","33.1506","0.0012","16.6829","0.0014","90","","90","","90","","18333.9","1.8","293","2","293.15","","","","","","","","","5","I 41/a","-I 4ad","88","","Poly[triaquadi-μ~3~-hydroxido-hexakis(μ~4~-2-methylbiphenyl-4,4'-dicarboxylato)calcium(II)hexazinc(II)]","","- C90 H68 Ca O29 Zn6 -","- C90 H68 Ca O29 Zn6 -","- C720 H544 Ca8 O232 Zn48 -","8","","FN3233","Guo, Pei-Ying; Ma, De-Yun; Guo, Hai-Fu","A twofold interpenetrating three-dimensional heterometallic metal‒organic framework with pcu topology based on 2-methylbiphenyl-4,4'-dicarboxylic acid","Acta Crystallographica Section C","2017","73","6","470","475","10.1107/S2053229617006829","","","0.71073","MoKα","","0.1093","0.0564","","","0.1343","0.1589","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","199071","2020-10-21","18:00:00",""
"2020785","19.513","0.003","19.513","0.003","17.613","0.004","90","","90","","90","","6706","2","294","2","294","2","","","","","","","","5","I 41/a","-I 4ad","88","Lamotriginium crotonate","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium but-2-enoate","","- C13 H13 Cl2 N5 O2 -","- C13 H13 Cl2 N5 O2 -","- C208 H208 Cl32 N80 O32 -","16","","","Freire, Eleonora; Echeverría, Gustavo A.; Baggio, Ricardo","Lamotriginium crotonate and lamotriginium salicylate ethanol monosolvate: the role of solvent molecules in the packing organization","Acta Crystallographica Section C","2017","73","7","563","568","10.1107/S2053229617009111","","","0.71073","MoKα","","0.1072","0.0566","","","0.1477","0.1848","","","","","","0.966","","","","has coordinates,has disorder,has Fobs","199077","2020-10-21","18:00:00",""
"2100785","22.086","0.003","22.086","0.003","9.463","0.003","90","","90","","90","","4616","2","","","","","","","","","","","","3","I 41/a","-I 4ad","","","","","- C12 H8 O4 -","- C12 H8 O4 -","- C192 H128 O64 -","16","","ST0547","Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E.","1,2-Naphthalenedicarboxylic acid: structures of channel clathrates and an unsolvated crystalline phase","Acta Crystallographica Section B","1992","48","3","290","297","10.1107/S0108768191013654","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2240411","7.0305","0.001","7.0305","0.001","28.995","0.006","90","","90","","90","","1433.2","0.4","301","2","301","2","","","","","","","","5","I 41/a","-I 4ad","88","","Bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')chromate(III)","","- C14 H10 Cr N3 O8 -","- C14 H10 Cr N3 O8 -","- C56 H40 Cr4 N12 O32 -","4","","SJ5438","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of ammonium bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')chromate(III) from synchrotron data","Acta Crystallographica Section E","2015","71","2","210","212","10.1107/S2056989015001152","","","0.62998","synchrotron","","0.0334","0.0279","","","0.08","0.081","","","","","","1.207","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2241108","14.4474","0.0004","14.4474","0.0004","12.2965","0.0005","90","","90","","90","","2566.62","0.14","200","2","200","2","","","","","","","","4","I 41/a","-I 4ad","88","Tetrakis(pyridin-2-yl)methane tetra<i>N</i>-oxide methanol tetrasolvate","Tetrakis(1-oxidopyridin-2-yl)methane methanol tetrasolvate","","- C25 H32 N4 O8 -","- C25 H32 N4 O8 -","- C100 H128 N16 O32 -","4","","","Matsumoto, Kouzou; Kawashita, Kazuaki; Kannami, Masaki; Oda, Masaji","Crystal structure of tetrakis(1-oxidopyridin-2-yl)methane methanol tetrasolvate","Acta Crystallographica Section E","2015","71","10","o754","o755","10.1107/S2056989015016862","","","0.71075","MoKα","","0.053","0.049","","","0.134","0.138","","","","","","1.07","","","","has coordinates,has Fobs","158361","2020-10-21","18:00:00",""
"2241522","10.2295","0.0006","10.2295","0.0006","36.281","0.003","90","","90","","90","","3796.5","0.4","223","2","223","2","","","","","","","","4","I 41/a","-I 4ad","88","","Diethyl 5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylate","","- C20 H18 N4 O4 -","- C20 H18 N4 O4 -","- C160 H144 N32 O32 -","8","","","Alfonso, Montserrat; Stoeckli-Evans, Helen","Dimethyl and diethyl esters of 5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylic acid: a comparison","Acta Crystallographica Section E","2016","72","2","233","237","10.1107/S2056989016001080","","","0.71073","MoKα","","0.0793","0.0492","","","0.1358","0.1493","","","","","","1.006","","","","has coordinates,has Fobs","175183","2020-10-21","18:00:00",""
"2241749","14.691","0.002","14.691","0.002","20.075","0.004","90","","90","","90","","4332.7","1.2","100","2","100","","","","","","","","","5","I 41/a","-I 4ad","88","","Bis(1-ethyl-3-methylimidazolium) tetrabromidocadmate(II)","","- C12 H22 Br4 Cd N4 -","- C12 H22 Br4 Cd N4 -","- C96 H176 Br32 Cd8 N32 -","8","","WM5286","Dordević, Tamara; Gerger, Sabrina; Karanović, Ljiljana","Crystal structure of the tetragonal polymorph of bis(1-ethyl-3-methylimidazolium) tetrabromidocadmate","Acta Crystallographica Section E","2016","72","7","1013","1016","10.1107/S2056989016009919","","","0.71073","MoKα","","0.0687","0.037","","","0.067","0.0742","","","","","","0.963","","","","has coordinates,has Fobs","183945","2020-10-21","18:00:00",""
"2242256","5.2945","0.0002","5.2945","0.0002","11.747","0.0005","90","","90","","90","","329.29","0.02","100","2","100","2","","","","","","","","3","I 41/a","-I 4ad","88","sodium pertechnetate","Sodium pertechnetate","","- Na O4 Tc -","- Na O4 Tc -","- Na4 O16 Tc4 -","4","","WM5391","German, Konstantin E.; Grigoriev, Mikhail S.; Garashchenko, Bogdan L.; Kopytin, Alexander V.; Tyupina, Ekaterina A.","Redetermination of the crystal structure of NaTcO~4~ at 100 and 296K based on single-crystal X-ray data","Acta Crystallographica Section E","2017","73","7","1037","1040","10.1107/S2056989017008362","","","0.71073","MoKα","","0.0098","0.0092","","","0.0166","0.0168","","","","","","1.31","","","","has coordinates,has Fobs","199215","2020-10-21","18:00:00",""
"2242338","41.432","0.002","41.432","0.002","7.7844","0.0006","90","","90","","90","","13362.8","1.4","100.15","","100","2","","","","","","","","4","I 41/a","-I 4ad","88","","Prop-2-en-1-yl 2,3,4,5-tetrachloro-6-[2,7-dichloro-6-hydroxy-3-oxo-4-(prop-2-en-1-yl)-3<i>H</i>-xanthen-9-yl]benzoate","","- C26 H14 Cl6 O5 -","- C26 H14 Cl6 O5 -","- C416 H224 Cl96 O80 -","16","","HB7719","Wang, Lili; Filatov, Alexander S.; Engel, Gregory S.","Crystal structure of 4'-allyl-4,5,6,7,2',7'-hexachlorofluorescein allyl ester unknown solvate","Acta Crystallographica Section E","2018","74","1","83","87","10.1107/S2056989017018163","","","0.71073","MoKα","","0.0668","0.0549","","","0.1475","0.1563","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","205719","2020-10-21","18:00:00",""
"2242884","29.625","0.0009","29.625","0.0009","10.2427","0.0004","90","","90","","90","","8989.4","0.5","293","2","293","2","","","","","","","","5","I 41/a","-I 4ad","88","","4,5,6,7,8,8-Hexachloro-2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-methanoisoindole-1,3(2<i>H</i>)-dione","","- C19 H15 Cl6 N O4 -","- C19 H15 Cl6 N O4 -","- C304 H240 Cl96 N16 O64 -","16","","","Manohar, R.; Harikrishna, M.; Etti, S. Harikrishna; Ramanathan, C.; Gunasekaran, K.","Crystal structure of 4,5,6,7,8,8-hexachloro-2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-methanoisoindole-1,3(2<i>H</i>)-dione [+solvent]","Acta Crystallographica Section E","2019","75","5","562","564","10.1107/S2056989019004109","","","0.71073","MoKα","","0.0781","0.0414","","","0.0914","0.1011","","","","","","1.038","","","","has coordinates,has Fobs","214464","2020-10-21","18:00:00",""
"2242949","15.314","0.007","15.314","0.007","25.736","0.012","90","","90","","90","","6036","5","296","2","296","2","","","","","","","","5","I 41/a","-I 4ad","88","","(<i>RS</i>)-7-Chloro-2-(2,5-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C16 H15 Cl N2 O3 -","- C16 H15 Cl N2 O3 -","- C256 H240 Cl16 N32 O48 -","16","","ZL2756","Narasimhamurthy, Kereyagalahally H.; Chandra; Sagar, Belakavadi K.; Rangappa, Kanchugarakoppal S.; Yathirajan, Hemmige S.; Glidewell, Christopher","The crystal structure of (<i>RS</i>)-7-chloro-2-(2,5-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1<i>H</i>)-one: two hydrogen bonds generate an elegant three-dimensional framework structure","Acta Crystallographica Section E","2019","75","6","843","847","10.1107/S2056989019007023","","","0.71073","MoKα","","0.1016","0.0485","","","0.1065","0.1282","","","","","","1.035","","","","has coordinates,has Fobs","215397","2020-10-21","18:00:00",""
"4033044","18.263","0.003","18.263","0.003","61.044","0.009","90","","90","","90","","20360","6","173.15","","173.15","","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C65 H41 N5 -","- C65 H41 N5 -","- C1040 H656 N80 -","16","","","Huang, Fu; Wang, Guangxia; Ma, Lishuang; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","Molecular Spur Gears Based on a Switchable Quinquepyridine Foldamer Acting as a Stator.","The Journal of organic chemistry","2017","82","23","12106","12111","10.1021/acs.joc.7b01864","","","0.71073","MoKα","","0.1372","0.1042","","","0.2564","0.2727","","","","","","1.449","","","","has coordinates","204835","2020-10-21","18:00:00",""
"4062540","31.5859","0.0012","31.5859","0.0012","10.8055","0.0004","90","","90","","90","","10780.3","1.2","193","","193","","","","","","","","","4","I 41/a","","","","","","- C31 H40 O Ti -","- C31 H40 O Ti -","- C496 H640 O16 Ti16 -","16","","","Fenwick, Andrew E.; Phomphrai, Khamphee; Thorn, Matthew G.; Vilardo, Jonathan S.; Trefun, Christine A.; Hanna, Brigitte; Fanwick, Phillip E.; Rothwell, Ian P.","Formation of Neutral and Cationic Methyl Derivatives of Titanium Containing Cyclopentadienyl and Aryloxide Ancillary Ligation","Organometallics","2004","23","9","2146","2156","10.1021/om0341404","","","","","","","","","","","","","","","","","","","","","has coordinates","281832","2023-03-13","07:51:36",""
"4081168","17.806","0.003","17.806","0.003","12.312","0.003","90","","90","","90","","3903.6","1.3","173","2","173.15","","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C9 H18 Li N -","- C9 H18 Li N -","- C144 H288 Li16 N16 -","16","","","Zhang, Shaoguang; Zhan, Ming; Zhang, Wen-Xiong; Xi, Zhenfeng","3-D Brick-Wall Polymeric Structure of TMEDA-Supported 1,4-Dilithio-1,3-Butadiene","Organometallics","2013","32","14","4020","","10.1021/om400531h","","","0.71073","MoKα","","0.1005","0.0795","","","0.1883","0.2048","","","","","","1.074","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4085623","32.3373","0.0009","32.3373","0.0009","15.1351","0.0007","90","","90","","90","","15826.8","1","291","2","291.15","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C37 H28 Cl2 N5 P Ru -","- C37 H28 Cl2 N5 P Ru -","- C592 H448 Cl32 N80 P16 Ru16 -","16","","","Li, Ke; Niu, Jun-Long; Yang, Ming-Ze; Li, Zhen; Wu, Li-Yuan; Hao, Xin-Qi; Song, Mao-Ping","New Type of 2,6-Bis(imidazo[1,2-a]pyridin-2-yl)pyridine-Based Ruthenium Complexes: Active Catalysts for Transfer Hydrogenation of Ketones","Organometallics","2015","34","7","1170","","10.1021/om501119x","","x-ray","1.54184","CuKα","","0.0613","0.0452","","","0.1238","0.1359","","","","","","1.018","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4086725","25.892","0.003","25.892","0.003","27.666","0.003","90","","90","","90","","18547","4","100","","100","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C25 H40 Cl Ir N4 -","- C25 H40 Cl Ir N4 -","- C400 H640 Cl16 Ir16 N64 -","16","","","Gomez-Lopez, Jessica L.; Chávez, Daniel; Parra-Hake, Miguel; Royappa, Arun T.; Rheingold, Arnold L.; Grotjahn, Douglas B.; Miranda-Soto, Valentín","Synthesis and Reactivity of Bis(protic N-heterocyclic carbene)iridium(III) Complexes","Organometallics","2016","35","18","3148","","10.1021/acs.organomet.6b00501","","x-ray","0.71073","MoKα","","0.0618","0.0332","","","0.0791","0.0898","","","","","","0.981","","","","has coordinates","186943","2020-10-21","18:00:00",""
"4120333","18.8947","0.0007","18.8947","0.0007","10.2755","0.0004","90","","90","","90","","3668.5","0.2","173","2","173","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C9 H17 Li O -","- C9 H17 Li O -","- C144 H272 Li16 O16 -","16","","","Chicheung Su; Russell Hopson; Paul G. Williard","Characterization of Cyclopentyllithium and Cyclopentyllithium Tetrahydrofuran Complex","Journal of the American Chemical Society","2013","135","","12400","12406","10.1021/ja4059102","","","0.71073","MoKα","","0.0867","0.0802","","","0.236","0.2431","","","","","","1.074","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4124358","27.9607","0.001","27.9607","0.001","12.0343","0.0005","90","","90","","90","","9408.4","0.6","93","","93","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C28 H29 N3 O Pd -","- C28 H29 N3 O Pd -","- C448 H464 N48 O16 Pd16 -","16","","","Nakano, Ryo; Nozaki, Kyoko","Copolymerization of Propylene and Polar Monomers Using Pd/IzQO Catalysts.","Journal of the American Chemical Society","2015","137","34","10934","10937","10.1021/jacs.5b06948","","","0.71075","MoKα","","0.0494","0.0456","","","0.0779","0.0794","","","","","","1.175","","","","has coordinates","154254","2020-10-21","18:00:00",""
"4125535","18.9935","0.0005","18.9935","0.0005","50.612","0.003","90","","90","","90","","18258.4","1.3","200","2","200","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C148 H136 Cl12 -","- C148 H136 Cl12 -","- C592 H544 Cl48 -","4","","","Moneypenny, 2nd, Timothy P; Walter, Nathan P.; Cai, Zhikun; Miao, Yu-Run; Gray, Danielle L.; Hinman, Jordan J.; Lee, Semin; Zhang, Yang; Moore, Jeffrey S.","Impact of Shape Persistence on the Porosity of Molecular Cages.","Journal of the American Chemical Society","2017","139","8","3259","3264","10.1021/jacs.7b00189","","","1.2399","synchrotron","","0.106","0.0881","","","0.2624","0.2817","","","","","","1.083","","","","has coordinates,has disorder","193483","2020-10-21","18:00:00",""
"4125993","25.3643","0.0014","25.3643","0.0014","33.4936","0.0019","90","","90","","90","","21548","2","100","2","100","2","","","","","","","","8","I 41/a","-I 4ad","88","","","","- C48 H48 B F10 N O3 S Zr -","- C48 H48 B F10 N O3 S Zr -","- C768 H768 B16 F160 N16 O48 S16 Zr16 -","16","","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","1.54178","CuKα","","0.1085","0.0754","","","0.1905","0.2122","","","","","","1.001","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4126028","33.087","0.003","33.087","0.003","21.564","0.002","90","","90","","90","","23607","4","77","","77","","","","","","","","","4","I 41/a","-I 4ad","88","","HfBTE-3D-MOF-I","","- C66 H0 Hf3 O18 -","- C66 Hf3 O18 -","- C528 Hf24 O144 -","8","","","Cao, Lingyun; Lin, Zekai; Shi, Wenjie; Wang, Zi; Zhang, Cankun; Hu, Xuefu; Wang, Cheng; Lin, Wenbin","Exciton Migration and Amplified Quenching on Two-Dimensional Metal-Organic Layers.","Journal of the American Chemical Society","2017","139","20","7020","7029","10.1021/jacs.7b02470","","","0.41328","","","0.1171","0.0622","","","0.1509","0.1786","","","","","","1.081","","","","has coordinates,has disorder","197429","2020-10-21","18:00:00",""
"4126308","24.8124","0.0004","24.8124","0.0004","47.889","0.0016","90","","90","","90","","29483.1","1.2","180","2","180","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C260 H180 As8 F48 Fe4 N28 -","- C260 H174 As6.2 F36.4 Fe4 N28 -","- C1040 H696 As24.8 F145.6 Fe16 N112 -","4","","","Ronson, Tanya K.; Meng, Wenjing; Nitschke, Jonathan R.","Design Principles for the Optimization of Guest Binding in Aromatic-Paneled Fe(II)4L6 Cages.","Journal of the American Chemical Society","2017","139","28","9698","9707","10.1021/jacs.7b05202","","","1.54178","CuKα","","0.1463","0.1212","","","0.3341","0.3575","","","","","","1.125","","","","has coordinates,has disorder","199574","2020-10-21","18:00:00",""
"4126900","15.469","0.002","15.469","0.002","34.551","0.005","90","","90","","90","","8267.7","1.9","100","2","100","","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C44 H22 N4 O8 -","- C44 H22 N4 O8 -","- C352 H176 N32 O64 -","8","","","Wu, Yilei; Han, Ji-Min; Hong, Michael; Krzyaniak, Matthew D.; Blackburn, Anthea K.; Fernando, Isurika R.; Cao, Dennis D.; Wasielewski, Michael R.; Stoddart, J. Fraser","X-Shaped Oligomeric Pyromellitimide Polyradicals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12124","","","1.54178","CuKα","","0.112","0.0694","","","0.1715","0.1911","","","","","","0.929","","","","has coordinates","204462","2020-10-21","18:00:00",""
"4127017","27.1757","0.0003","27.1757","0.0003","26.6358","0.0005","90","","90","","90","","19671","0.5","150","0.1","150","0.1","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C76 H108 Ag14 B60 N8 S12 -","- C76 H108 Ag14 B60 N8 S12 -","- C304 H432 Ag56 B240 N32 S48 -","4","","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0792","0.0644","","","0.1984","0.2099","","","","","","0.996","","","","has coordinates,has disorder","205090","2020-10-21","18:00:00",""
"4127162","19.067","0.011","19.067","0.011","6.882","0.006","90","","90","","90","","2502","3","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C6 H5 Br0.36 Cl0.64 O2 -","- C6 H5 Br0.3598 Cl0.6402 O2 -","- C96 H80 Br5.7568 Cl10.2432 O32 -","16","","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0529","0.0445","","","0.1019","0.106","","","","","","1.134","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127163","19.231","0.002","19.231","0.002","6.9229","0.0011","90","","90","","90","","2560.3","0.6","150","2","150","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C6.19 H5 Br0.81 O2 -","- C6.1919 H5 Br0.8081 O2 -","- C99.0704 H80 Br12.9296 O32 -","16","","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0496","0.0428","","","0.1042","0.1076","","","","","","1.106","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127165","19.153","0.002","19.153","0.002","6.9155","0.0012","90","","90","","90","","2536.9","0.6","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C6.24 H5 Br0.32 Cl0.44 O2 -","- C6.2388 H5 Br0.3182 Cl0.443 O2 -","- C99.8208 H80 Br5.0912 Cl7.088 O32 -","16","","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0677","0.0515","","","0.1265","0.1363","","","","","","1.076","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4325351","14.0059","0.0003","14.0059","0.0003","19.138","0.0008","90","","90","","90","","3754.21","0.19","120.15","","120.15","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C12 H22 Cl4 N4 Zn -","- C12 H22 Cl4 N4 Zn -","- C96 H176 Cl32 N32 Zn8 -","8","","","Julien Estager; Peter Nockemann; Kenneth R. Seddon; Małgorzata Swadźba-Kwaśny; Sophie Tyrrell","Validation of Speciation Techniques: A Study of Chlorozincate(II) Ionic Liquids","Inorganic Chemistry","2011","50","","5258","5271","10.1021/ic200586u","","","0.71073","MOKα","","0.0546","0.0383","","","0.0714","0.0798","","","","","","1.065","","","","has coordinates,has disorder","179356","2020-10-21","18:00:00",""
"4330564","31.8629","0.0006","31.8629","0.0006","10.9579","0.0003","90","","90","","90","","11124.9","0.4","102.1","","102.1","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C26.18 H33.35 Cl2.35 N5 P Rh -","- C26.176 H33.352 Cl2.352 N5 P Rh -","- C418.816 H533.632 Cl37.632 N80 P16 Rh16 -","16","","","Sarath Wanniarachchi; Brendan J. Liddle; Brandon Kizer; Jeewantha S. Hewage; Sergey V. Lindeman; James R. Gardinier","Syntheses and Electronic Properties of Rhodium(III) Complexes Bearing a Redox-Active Ligand","Inorganic Chemistry","2012","51","","10572","10580","10.1021/ic300772h","","","0.7107","MoKα","","0.0566","0.034","","","0.0612","0.0716","","","","","","1.042","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4338511","14.8467","0.0007","14.8467","0.0007","6.5168","0.0006","90","","90","","90","","1436.46","0.16","100","2","100","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- F5 Li U -","- F5 Li U -","- F80 Li16 U16 -","16","","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Mild Hydrothermal Crystal Growth, Structure, and Magnetic Properties of Ternary U(IV) Containing Fluorides: LiUF5, KU2F9, K7U6F31, RbUF5, RbU2F9, and RbU3F13.","Inorganic chemistry","2014","53","12","6289","6298","10.1021/ic5008507","","","0.71073","MoKα","","0.0321","0.0279","","","0.057","0.0582","","","","","","1.301","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4340859","17.3207","0.0009","17.3207","0.0009","26.9149","0.0014","90","","90","","90","","8074.6","0.7","100","2","100","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C11.96 H31.98 B11 I0.02 N O2 -","- C11.96 H31.98 B11 I0.02 N O2 -","- C191.36 H511.68 B176 I0.32 N16 O32 -","16","","","Hailmann, Michael; Konieczka, Szymon Z.; Himmelspach, Alexander; Löblein, Jochen; Reiss, Guido J.; Finze, Maik","Carba-closo-dodecaborate Anions with Two Functional Groups: [1-R-12-HC≡C-closo-1-CB11H10](-) (R = CN, NC, CO2H, C(O)NH2, NHC(O)H).","Inorganic chemistry","2014","53","17","9385","9399","10.1021/ic501526g","","","0.71073","MoKα","","0.1029","0.0652","","","0.1123","0.1294","","","","","","1.225","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4341851","28.3446","0.0006","28.3446","0.0006","10.5434","0.0005","90","","90","","90","","8470.7","0.5","296","2","296.15","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C17 H8 Co F6 O4 -","- C17 H8 Co F6 O4 -","- C272 H128 Co16 F96 O64 -","16","","","Bernini, María Celeste; de Paz, Julio Romero; Snejko, Natalia; Sáez-Puche, Regino; Gutierrez-Puebla, Enrique; Monge, María Ángeles","Unusual Magnetic Behaviors and Electronic Configurations Driven by Diverse Co(II) or Mn(II) MOF Architectures.","Inorganic chemistry","2014","","","141204082337009","","10.1021/ic501898x","","","1.54178","CuKα","","0.0682","0.0495","","","0.1444","0.1637","","","","","","1.129","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341854","28.5047","0.0003","28.5047","0.0003","10.5027","0.0003","90","","90","","90","","8533.6","0.3","296","2","296.15","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C34 H16 F12 Mn2 O8 -","- C34 H16 F12 Mn2 O8 -","- C272 H128 F96 Mn16 O64 -","8","","","Bernini, María Celeste; de Paz, Julio Romero; Snejko, Natalia; Sáez-Puche, Regino; Gutierrez-Puebla, Enrique; Monge, María Ángeles","Unusual Magnetic Behaviors and Electronic Configurations Driven by Diverse Co(II) or Mn(II) MOF Architectures.","Inorganic chemistry","2014","","","141204082337009","","10.1021/ic501898x","","","1.54178","CuKα","","0.0448","0.0392","","","0.1159","0.1192","","","","","","1.124","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4343097","19.5931","0.0001","19.5931","0.0001","37.8365","0.0008","90","","90","","90","","14525","0.3","100","2","100","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C72 H136 In8 N16 Se38 Sn8 -","- C72 H136 In8 N16 Se38 Sn8 -","- C288 H544 In32 N64 Se152 Sn32 -","4","","","Du, Cheng-Feng; Li, Jian-Rong; Zhang, Bo; Shen, Nan-Nan; Huang, Xiao-Ying","From T2,2@Bmmim to Alkali@T2,2@Bmmim Ivory Ball-like Clusters: Ionothermal Syntheses, Precise Doping, and Photocatalytic Properties.","Inorganic chemistry","2015","54","12","5874","5878","10.1021/acs.inorgchem.5b00652","","","1.54184","CuKα","","0.0587","0.0472","","","0.1235","0.1312","","","","","","1.016","","","","has coordinates,has disorder","140087","2020-10-21","18:00:00",""
"4343098","19.6437","0.0002","19.6437","0.0002","37.7046","0.0008","90","","90","","90","","14549.3","0.4","100","2","100","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C72 H136 Cs In9 N16 Se38 Sn7 -","- C72 H136 Cs In9 N16 Se38 Sn7 -","- C288 H544 Cs4 In36 N64 Se152 Sn28 -","4","","","Du, Cheng-Feng; Li, Jian-Rong; Zhang, Bo; Shen, Nan-Nan; Huang, Xiao-Ying","From T2,2@Bmmim to Alkali@T2,2@Bmmim Ivory Ball-like Clusters: Ionothermal Syntheses, Precise Doping, and Photocatalytic Properties.","Inorganic chemistry","2015","54","12","5874","5878","10.1021/acs.inorgchem.5b00652","","","1.54178","CuKα","","0.0483","0.0418","","","0.1246","0.1314","","","","","","1.003","","","","has coordinates,has disorder","140087","2020-10-21","18:00:00",""
"4343099","19.6218","0.0003","19.6218","0.0003","37.6897","0.0009","90","","90","","90","","14511.1","0.5","100","2","100","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C72 H136 In9 N16 Rb Se38 Sn7 -","- C72 H136 In9 N16 Rb Se38 Sn7 -","- C288 H544 In36 N64 Rb4 Se152 Sn28 -","4","","","Du, Cheng-Feng; Li, Jian-Rong; Zhang, Bo; Shen, Nan-Nan; Huang, Xiao-Ying","From T2,2@Bmmim to Alkali@T2,2@Bmmim Ivory Ball-like Clusters: Ionothermal Syntheses, Precise Doping, and Photocatalytic Properties.","Inorganic chemistry","2015","54","12","5874","5878","10.1021/acs.inorgchem.5b00652","","","1.54178","CuKα","","0.0515","0.0423","","","0.1221","0.1305","","","","","","1.007","","","","has coordinates,has disorder","140087","2020-10-21","18:00:00",""
"4343261","11.2133","0.0004","11.2133","0.0004","9.7723","0.0003","90","","90","","90","","1228.75","0.07","100","","100","","","","","","","","","3","I 41/a","-I 4ad","88","","Manganese (II) Tantalate","","- Mn3 O8 Ta2 -","- Mn3 O8 Ta2 -","- Mn24 O64 Ta16 -","8","","","Rickert, Karl; Pozzi, Eric A.; Khanal, Rabi; Onoue, Masatoshi; Trimarchi, Giancarlo; Medvedeva, Julia E.; Hersam, Mark C.; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.","Selective Crystal Growth and Structural, Optical, and Electronic Studies of Mn3Ta2O8.","Inorganic chemistry","2015","54","13","6513","6519","10.1021/acs.inorgchem.5b00853","","","0.71073","MoKα","","0.0421","0.0421","","","0.1133","0.1133","","","","","","1.3","","","","has coordinates","141346","2020-10-21","18:00:00",""
"4343363","29.959","0.005","29.959","0.005","14.054","0.002","90","","90","","90","","12614","3","100","2","100.15","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C24 H31 Br3 Cu3 N5 P2 -","- C26 H31 Br3 Cu3 N3 P2 -","- C416 H496 Br48 Cu48 N48 P32 -","16","","","Siddiqui, Mujahuddin M.; Mague, Joel T.; Balakrishna, Maravanji S.","Diamondoid-Type Copper Coordination Polymers Containing Soft Cyclodiphosphazane Ligands.","Inorganic chemistry","2015","54","13","6063","6065","10.1021/acs.inorgchem.5b00525","","","0.71075","MoKα","","0.0398","0.0334","","","0.0694","0.072","","","","","","1.098","","","","has coordinates","152793","2020-10-21","18:00:00",""
"4343365","15.592","0.004","15.592","0.004","26.068","0.007","90","","90","","90","","6337","3","100","2","100","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C25 H30 Cl2 Cu2 I2 N2 P2 -","- C25 H30 Cl2 Cu2 I2 N2 P2 -","- C200 H240 Cl16 Cu16 I16 N16 P16 -","8","","","Siddiqui, Mujahuddin M.; Mague, Joel T.; Balakrishna, Maravanji S.","Diamondoid-Type Copper Coordination Polymers Containing Soft Cyclodiphosphazane Ligands.","Inorganic chemistry","2015","54","13","6063","6065","10.1021/acs.inorgchem.5b00525","","","0.71073","MoKα","","0.0687","0.0485","","","0.1272","0.145","","","","","","1.075","","","","has coordinates","152793","2020-10-21","18:00:00",""
"4345135","28.7379","0.0019","28.7379","0.0019","10.0804","0.0007","90","","90","","90","","8325.1","1","120","","120","","","","","","","","","5","I 41/a","-I 4ad","88","","[Chlorido(1-butyl-4-(2'-kC)-phenyl-(3-kN)-1,2,3-triazolato) (n6-p-cymene)osmium(II)]","","- C22 H28 Cl N3 Os -","- C22 H28 Cl N3 Os -","- C352 H448 Cl16 N48 Os16 -","16","","","Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates.","Inorganic chemistry","2017","56","1","528","541","10.1021/acs.inorgchem.6b02430","","","0.71073","MoKα","","0.0499","0.0294","","","0.0464","0.0505","","","","","","1.007","","","","has coordinates","191271","2020-10-21","18:00:00",""
"4345136","28.1686","0.0016","28.1686","0.0016","10.1755","0.0007","90","","90","","90","","8074","0.9","120","","120","","","","","","","","","5","I 41/a","-I 4ad","88","","[Chlorido(1-propyl-4-(2'-kC)-phenyl-(3-kN)-1,2,3-triazolato) (n6-p-cymene)osmium(II)]","","- C21 H26 Cl N3 Os -","- C21 H26 Cl N3 Os -","- C336 H416 Cl16 N48 Os16 -","16","","","Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates.","Inorganic chemistry","2017","56","1","528","541","10.1021/acs.inorgchem.6b02430","","","0.71073","MoKα","","0.0479","0.032","","","0.0621","0.068","","","","","","1.018","","","","has coordinates","191271","2020-10-21","18:00:00",""
"4345141","28.6971","0.0011","28.6971","0.0011","10.0994","0.0005","90","","90","","90","","8317.1","0.6","100","","100","","","","","","","","","5","I 41/a","-I 4ad","88","","[Chlorido(1-butyl-4-(2'-kC)-phenyl-(3-kN)-1,2,3-triazolato) (n6-p-cymene)ruthenium(II)]","","- C22 H28 Cl N3 Ru -","- C22 H28 Cl N3 Ru -","- C352 H448 Cl16 N48 Ru16 -","16","","","Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates.","Inorganic chemistry","2017","56","1","528","541","10.1021/acs.inorgchem.6b02430","","","0.71073","MoKα","","0.0227","0.0199","","","0.0468","0.0479","","","","","","1.102","","","","has coordinates","191271","2020-10-21","18:00:00",""
"4345142","28.0525","0.0015","28.0525","0.0015","10.1626","0.0006","90","","90","","90","","7997.4","0.8","120","","120","","","","","","","","","5","I 41/a","-I 4ad","88","","[Chlorido(1-propyl-4-(2'-kC)-phenyl-(3-kN)-1,2,3-triazolato) (n6-p-cymene)ruthenium(II)]","","- C21 H26 Cl N3 Ru -","- C21 H26 Cl N3 Ru -","- C336 H416 Cl16 N48 Ru16 -","16","","","Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates.","Inorganic chemistry","2017","56","1","528","541","10.1021/acs.inorgchem.6b02430","","","0.71073","MoKα","","0.0822","0.0405","","","0.0648","0.0769","","","","","","0.999","","","","has coordinates","191271","2020-10-21","18:00:00",""
"4345420","18.0521","0.0008","18.0521","0.0008","19.4747","0.0013","90","","90","","90","","6346.4","0.6","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C24 H34 Na2 O18 U2 -","- C24 H34 Na2 O18 U2 -","- C192 H272 Na16 O144 U16 -","8","","","Thuéry, Pierre; Harrowfield, Jack","Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.","Inorganic chemistry","2017","56","3","1455","1469","10.1021/acs.inorgchem.6b02537","","","0.71073","MoKα","","0.0612","0.0449","","","0.0942","0.099","","","","","","1.149","","","","has coordinates,has disorder","192966","2020-10-21","18:00:00",""
"4345421","18.1546","0.0005","18.1546","0.0005","19.5356","0.0008","90","","90","","90","","6438.7","0.4","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C24 H34 Ag2 O18 U2 -","- C24 H34 Ag2 O18 U2 -","- C192 H272 Ag16 O144 U16 -","8","","","Thuéry, Pierre; Harrowfield, Jack","Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.","Inorganic chemistry","2017","56","3","1455","1469","10.1021/acs.inorgchem.6b02537","","","0.71073","MoKα","","0.0273","0.0264","","","0.0682","0.0686","","","","","","1.09","","","","has coordinates","192966","2020-10-21","18:00:00",""
"4507507","46.038","0.003","46.038","0.003","11.3254","0.0003","90","","90","","90","","24004","2","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H50 Co La2 N8 O29 -","- C48 H36 Co La2 N8 O29 -","- C768 H576 Co16 La32 N128 O464 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.0806","0.0593","","","0.1654","0.1829","","","","","","1.089","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507508","45.942","0.0013","45.942","0.0013","11.2367","0.0004","90","","90","","90","","23716.9","1.3","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H52 Co N8 O30 Pr2 -","- C48 H36 Co N8 O30 Pr2 -","- C768 H576 Co16 N128 O480 Pr32 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.1511","0.0778","","","0.1805","0.2281","","","","","","1.029","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507509","45.7979","0.0007","45.7979","0.0007","11.2276","0.0002","90","","90","","90","","23549.3","0.7","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H50 Co N8 Nd2 O29 -","- C48 H34 Co N8 Nd2 O29 -","- C768 H544 Co16 N128 Nd32 O464 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.0879","0.0564","","","0.1379","0.1572","","","","","","1.03","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507510","45.9697","0.001","45.9697","0.001","11.1834","0.0003","90","","90","","90","","23632.9","1","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H50 Co N8 O29 Sm2 -","- C48 H36 Co N8 O29 Sm2 -","- C768 H576 Co16 N128 O464 Sm32 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.0652","0.0442","","","0.1144","0.129","","","","","","1.044","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507511","45.8777","0.0007","45.8777","0.0007","11.10616","0.0002","90","","90","","90","","23375.8","0.7","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H50 Co Eu2 N8 O29 -","- C48 H36 Co Eu2 N8 O29 -","- C768 H576 Co16 Eu32 N128 O464 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.0818","0.0574","","","0.1408","0.1595","","","","","","1.022","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507512","45.204","0.002","45.204","0.002","10.7836","0.0005","90","","90","","90","","22035.2","1.7","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H46 Co Gd2 N8 O27 -","- C48 H36 Co Gd2 N8 O27 -","- C768 H576 Co16 Gd32 N128 O432 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.093","0.0689","","","0.1911","0.2102","","","","","","1.091","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507513","45.822","0.0007","45.822","0.0007","11.0046","0.0003","90","","90","","90","","23105.9","0.8","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H48 Co N8 O28 Tb2 -","- C48 H36 Co N8 O28 Tb2 -","- C768 H576 Co16 N128 O448 Tb32 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.0705","0.0547","","","0.1401","0.1491","","","","","","1.096","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507514","45.87","0.004","45.87","0.004","10.998","0.0007","90","","90","","90","","23140","3","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H48 Co Dy2 N8 O29 -","- C48 H36 Co Dy2 N8 O28 -","- C768 H576 Co16 Dy32 N128 O448 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.1463","0.0762","","","0.185","0.2202","","","","","","0.994","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4512583","22.3255","0.001","22.3255","0.001","14.2555","0.0007","90","","90","","90","","7105.3","0.6","100","2","99.99","","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C21 H26 O5 -","- C21 H26 O5 -","- C336 H416 O80 -","16","","","Martin, Mackenzie D.; Calcul, Laurent; Smith, Courtney; Jinwal, Umesh K.; Fontaine, Sarah N.; Darling, April; Seeley, Kent; Wojtas, Lukasz; Narayan, Malathi; Gestwicki, Jason E.; Smith, Garry R.; Reitz, Allen B.; Baker, Bill J.; Dickey, Chad A.","Synthesis, stereochemical analysis, and derivatization of myricanol provide new probes that promote autophagic tau clearance.","ACS chemical biology","2015","10","4","1099","1109","10.1021/cb501013w","","","1.54178","CuKα","","0.0529","0.0445","","","0.1166","0.1231","","","","","","1.027","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4513232","17.0103","0.0019","17.0103","0.0019","77.059","0.008","90","","90","","90","","22297","4","150","2","150","2","","","","","","","","6","I 41/a","-I 4ad","88","1*AgNO3 in manuscript","","","- C52 H32 Ag2 N6 O6 Si -","- C52 H32 Ag2 N4 Si -","- C832 H512 Ag32 N64 Si16 -","16","","","Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.","Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand","Crystal Growth & Design","2015","15","7","3539","","10.1021/acs.cgd.5b00719","","","0.71073","MoKα","","0.2567","0.2491","","","0.575","0.5771","","","","","","4.644","","","","has coordinates","140066","2020-10-21","18:00:00",""
"4513236","26.518","0.007","26.518","0.007","6.3122","0.0018","90","","90","","90","","4439","2","200","2","200","2","","","","","","","","4","I 41/a","-I 4ad","88","1 (first modification) in manuscript","","","- C56 H32 N4 Si -","- C56 H32 N4 Si -","- C224 H128 N16 Si4 -","4","","","Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.","Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand","Crystal Growth & Design","2015","15","7","3539","","10.1021/acs.cgd.5b00719","","","0.71073","MoKα","","0.1001","0.074","","","0.1859","0.1982","","","","","","1.222","","","","has coordinates","140066","2020-10-21","18:00:00",""
"4513238","14.5595","0.0019","14.5595","0.0019","22.373","0.003","90","","90","","90","","4742.6","1.1","200","2","200","2","","","","","","","","3","I 41/a","-I 4ad","88","3 in manuscript","","","- C44 H52 Si5 -","- C44 H52 Si5 -","- C176 H208 Si20 -","4","","","Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.","Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand","Crystal Growth & Design","2015","15","7","3539","","10.1021/acs.cgd.5b00719","","","0.71073","MoKα","","0.098","0.0634","","","0.164","0.1869","","","","","","1.085","","","","has coordinates,has disorder","140066","2020-10-21","18:00:00",""
"4514017","20.4817","0.0014","20.4817","0.0014","21.6349","0.0017","90","","90","","90","","9075.8","1.1","173","","173","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C35 H54 Cl2 Cu2 N10 -","- C35 H54 Cl2 Cu2 N10 -","- C280 H432 Cl16 Cu16 N80 -","8","","","Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones","ACS Catalysis","2017","7","1","238","","10.1021/acscatal.6b02723","","","0.71075","MoKα","","0.072","0.0606","","","0.1706","0.1843","","","","","","1.071","","","","has coordinates,has disorder","191232","2020-10-21","18:00:00",""
"4514410","19.4007","0.0009","19.4007","0.0009","57.9021","0.0018","90","","90","","90","","21793.6","1.6","273","2","273","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C200 H204 Ag22 Cl4 P8 S12 -","- C200 H204 Ag22 Cl4 P8 S12 -","- C800 H816 Ag88 Cl16 P32 S48 -","4","","","Khatun, Esma; Bodiuzzaman, Mohammad; Sugi, Korath Shivan; Chakraborty, Papri; Paramasivam, Ganesan; Dar, Wakeel Ahmed; Ahuja, Tripti; Antharjanam, Sudhadevi; Pradeep, Thalappil","Confining an Ag<sub>10</sub> Core in an Ag<sub>12</sub> Shell: A Four-Electron Superatom with Enhanced Photoluminescence upon Crystallization.","ACS nano","2019","","","","","10.1021/acsnano.9b01189","","","0.71073","MoKα","","0.195","0.1267","","","0.2562","0.3121","","","","","","1.135","","","","has coordinates,has disorder","215061","2020-10-21","18:00:00",""
"6000090","7.3827","","7.3827","","10.4152","","90","","90","","90","","567.67","","","","","","","","","","","","","4","I 41/a","","","","","","- Cd Cu2 S8 Sn3 -","","","","","","Chykhrij, S. I.; Sysa, L. V.; Parasyuk, O. V.; Piskach, L. V.","Crystal structure of the Cu2CdSn3S8 compound","Journal of Alloys and Compounds","2000","307","","124","126","10.1016/S0925-8388(00)00803-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000163","11.6779","","11.6779","","16.1488","","90","","90","","90","","2202.27","","","","","","","","","","","","","3","I 41/a","","","","","","- O24 Re4 Sr11 -","","","","","","Bramnik, K. G.; Miehe, G.; Ehrenberg, H.; Fuess, H.; Abakumov, A. M.; Shpanchenko, R. V.; Pomjakushin, V. Y.; Balagurov, A. M.","Preparation, structure, and magnetic studies of a new Sr11Re4O24 double oxide","Journal of Solid State Chemistry","2000","149","","49","55","10.1006/jssc.1999.8493","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000270","11.2728","","11.2728","","9.803","","90","","90","","90","","1245.73","","","","","","","","","","","","","3","I 41/a","","","","","","- Mn3 O8 Ta2 -","","","","","","Grins, J.; Esmaeilzadeh, S.; Berastegui, P.; Eriksson, S.","Determination of the magnetic structure at 10 k of Mn3Ta2O8, and refinement of the crystal structure at 295 K, using neutron powder diffraction data","Journal of Materials Chemistry","1999","9","","1575","1578","10.1039/a902149c","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000388","11.2728","","11.2728","","9.803","","90","","90","","90","","1245.73","","","","","","","","","","","","","3","I 41/a","","","","","","- Mn3 O8 Ta2 -","","","","","","Esmaeilzadeh, S.; Grins, J.; Fitch, A.","Determination of the fluorite related structure of Mn3Ta2O8, using synchrotron X-ray powder and electron diffraction data","Journal of Materials Chemistry","1998","8","","2493","2497","10.1039/a804938k","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000759","11.4612","","11.4612","","8.904","","90","","90","","90","","1169.62","","","","","","","","","","","","","5","I 41/a","","","","","","- C4 H8 K O12 Y -","","","","","","Bataille, T.; Auffrédic, J. P.; Louër, D.","A powder diffraction study of the crystal structure and the dehydration process of yttrium potassium oxalate tetrahydrate","Materials Science Forum","2000","321","","976","981","10.4028/www.scientific.net/MSF.321-324.976","","","","","","","","","","","","","","","","","","","","","","188694","2020-10-21","18:00:00",""
"7019330","18.967","0.002","18.967","0.002","61.245","0.015","90","","90","","90","","22033","6","100","2","100.15","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C120.75 H104.75 Cd2 Fe2 N13 O23 -","- C96 H48 Cd2 Fe2 N8 O17 -","- C768 H384 Cd16 Fe16 N64 O136 -","8","","","Smythe, Nathan C.; Butler, Derek P.; Moore, Curtis E.; McGowan, William R.; Rheingold, Arnold L.; Beauvais, Laurance G.","A heterobimetallic metal-organic framework with tunable reactive metal sites: synthesis, characterization, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7855","7858","10.1039/c2dt30184a","","","0.71073","MOKα","","0.1328","0.1182","","","0.3031","0.3087","","","","","","2.504","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7020208","9.881","0.003","9.881","0.003","26.388","0.008","90","","90","","90","","2576.4","1.4","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","tetrachloro(1,3-Bis(methylsulfanyl)propane-S,S')tellurium(IV)","","- C5 H12 Cl4 S2 Te -","- C5 H12 Cl4 S2 Te -","- C40 H96 Cl32 S16 Te8 -","8","","","Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian","TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10988","10999","10.1039/c2dt30968h","","","0.71073","MoKα","","0.0423","0.0415","","","0.0668","0.067","","","","","","1.211","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7022602","30.835","0.014","30.835","0.014","29.306","0.007","90","","90","","90","","27864","19","200","2","200","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C45 H30 Cu3 N6 -","- C45 H30 Cu3 N6 -","- C720 H480 Cu48 N96 -","16","","","Grzywa, Maciej; Geßner, Christof; Denysenko, Dmytro; Bredenkötter, Björn; Gschwind, Fabienne; Fromm, Katharina M.; Nitek, Wojciech; Klemm, Elias; Volkmer, Dirk","CFA-2 and CFA-3 (Coordination Framework Augsburg University-2 and -3); novel MOFs assembled from trinuclear Cu(I)/Ag(I) secondary building units and 3,3',5,5'-tetraphenyl-bipyrazolate ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6909","6921","10.1039/c3dt32302a","","","1.54178","CuKα","","0.0536","0.0455","","","0.124","0.1286","","","","","","1.067","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7023552","28.0259","0.0019","28.0259","0.0019","10.1867","0.0007","90","","90","","90","","8001.2","0.9","120","2","120","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C92.62 H60.62 Cl1.85 N4 O4 Zn -","- C92.616 H60.616 Cl1.848 N4 O4 Zn -","- C370.464 H242.464 Cl7.392 N16 O16 Zn4 -","4","","","Ishizuka, Tomoya; Sankar, Muniappan; Kojima, Takahiko","Control of the spatial arrangements of supramolecular networks based on saddle-distorted porphyrins by intermolecular hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16073","16079","10.1039/c3dt51467f","","","0.71073","MoKα","","0.1253","0.0931","","","0.2985","0.3126","","","","","","1.081","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7028318","30.9472","0.0019","30.9472","0.0019","12.6009","0.0008","90","","90","","90","","12068.2","1.3","100","","100","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C104 H140 Cu4 Na4 O32 Si12 -","- C104 H140 Cu4 Na4 O32 Si12 -","- C416 H560 Cu16 Na16 O128 Si48 -","4","","","Dronova, Marina S.; Bilyachenko, Alexey N.; Yalymov, Alexey I.; Kozlov, Yuriy N.; Shul'pina, Lidia S.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Levitsky, Mikhail M.; Shubina, Elena S.; Shul'pin, Georgiy B.","Solvent-controlled synthesis of tetranuclear cage-like copper(II) silsesquioxanes. Remarkable features of the cage structures and their high catalytic activity in oxidation with peroxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","872","882","10.1039/c3dt52508b","","","0.71073","MoKα","","0.2194","0.0859","","","0.1704","0.244","","","","","","1.012","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028389","25.9649","0.0005","25.9649","0.0005","11.8154","0.0003","90","","90","","90","","7965.7","0.3","100","2","100","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C16 H15 Ag F3 N3 O6 S -","- C16 H15 Ag F3 N3 O6 S -","- C256 H240 Ag16 F48 N48 O96 S16 -","16","","","Sniekers, Jeroen; Brooks, Neil R.; Schaltin, Stijn; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","High current density electrodeposition of silver from silver-containing liquid metal salts with pyridine-N-oxide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1589","1598","10.1039/c3dt52416g","","","0.71073","MoKα","","0.0231","0.0201","","","0.0492","0.0512","","","","","","1.055","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7029526","28.8481","0.0005","28.8481","0.0005","14.8117","0.0003","90","","90","","90","","12326.5","0.4","100","","100","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C72 H88 N4 O2 Pt -","- C72 H88 N4 O2 Pt -","- C576 H704 N32 O16 Pt8 -","8","","","Moiseev, A. G.; Margulies, E. A.; Schneider, J. A.; Bélanger-Gariépy, F; Perepichka, D. F.","Protecting the triplet excited state in sterically congested platinum porphyrin.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2676","2683","10.1039/c3dt52926f","","x-ray","1.54178","CuKα","","0.0317","0.0289","","","0.0778","0.0809","","","","","","1.067","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7030869","59.122","0.0007","59.122","0.0007","39.2567","0.0003","90","","90","","90","","137218","3","100","2","100","2","","","","","","","","8","I 41/a","-I 4ad","88","","","","- C456 H538 Cl53 Fe10 N90 O256 Pr20 Sb60 -","- C456 H310 Cl53 Fe10 N90 O146 Pr20 Sb60 -","- C3648 H2480 Cl424 Fe80 N720 O1168 Pr160 Sb480 -","8","","","Zou, Guo-Dong; Wang, Ze-Ping; Song, Ying; Hu, Bing; Huang, Xiao-Ying","Syntheses, structures and photocatalytic properties of five new praseodymium-antimony oxochlorides: from discrete clusters to 3D inorganic-organic hybrid racemic compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10064","10073","10.1039/c4dt00771a","","","1.54178","CuKα","","0.1942","0.1379","","","0.2414","0.2598","","","","","","1.246","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7031023","39.8049","0.0017","39.8049","0.0017","37.7169","0.0016","90","","90","","90","","59760","4","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C204 H252 Mn12 N24 O77 -","- C204 H252 Mn12 N24 O77 -","- C1632 H2016 Mn96 N192 O616 -","8","","","Frost, J. M.; Sanz, S.; Rajeshkumar, T.; Pitak, M. B.; Coles, S. J.; Rajaraman, G.; Wernsdorfer, W.; Schnack, J.; Lusby, P. J.; Brechin, E. K.","A truncated [Mn(III)12] tetrahedron from oxime-based [Mn(III)3O] building blocks.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10690","10694","10.1039/c4dt01469c","","","0.71075","MoKα","","0.1538","0.085","","","0.2281","0.2596","","","","","","0.925","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7035110","23.5927","0.0004","23.5927","0.0004","11.7356","0.0003","90","","90","","90","","6532.2","0.2","120.01","0.1","123","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C28 H38 Cu N4 O9 -","- C28 H38 Cu N4 O9 -","- C224 H304 Cu8 N32 O72 -","8","","","Bryant, Macguire R.; Burrows, Andrew D.; Fitchett, Christopher M.; Hawes, Chris S.; Hunter, Sally O.; Keenan, Luke L.; Kelly, David J.; Kruger, Paul E.; Mahon, Mary F.; Richardson, Christopher","The synthesis and characterisation of coordination and hydrogen-bonded networks based on 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9269","9280","10.1039/c5dt00011d","","x-ray","1.54184","CuKα","","0.0613","0.0601","","","0.182","0.1831","","","","","","1.09","","","","has coordinates,has disorder","138733","2020-10-21","18:00:00",""
"7035410","29.488","0.005","29.488","0.005","16.688","0.005","90","0.005","90","0.005","90","0.005","14511","6","150","2","150","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C26 H20 N8 Os -","- C26 H20 N8 Os -","- C416 H320 N128 Os16 -","16","","","Das, Ankita; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Recognition of fractional non-innocent feature of osmium coordinated 2,2'-biimidazole or 2,2'-bis(4,5-dimethylimidazole) and their interactions with anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13204","13219","10.1039/c5dt01763g","","","1.5418","CuKα","","0.0774","0.049","","","0.146","0.1623","","","","","","0.93","","","","has coordinates","153189","2020-10-21","18:00:00",""
"7036751","8.792","0.002","8.792","","27.916","0.009","90","","90","","90","","2157.9","0.9","293","2","293","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C20 H12 Co N10 O4 -","- C20 H12 Co N10 O4 -","- C80 H48 Co4 N40 O16 -","4","","","Miller, Reece G.; Narayanaswamy, Suresh; Clark, Simon M.; Dera, Przemslaw; Jameson, Geoffrey B.; Tallon, Jeffery L.; Brooker, Sally","Pressure induced separation of phase-transition-triggered-abrupt vs. gradual components of spin crossover.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20843","20849","10.1039/c5dt03795f","","","0.4133","synchrotron","","0.0607","0.061","","","0.1456","0.1459","","","","","","1.14","","","","has coordinates","171147","2020-10-21","18:00:00",""
"7036874","26.7813","0.0012","26.7813","0.0012","17.3239","0.0008","90","","90","","90","","12425.4","1","150","2","150","2","","","","","","","","6","I 41/a","-I 4ad","88","","2-(Ethoxy-(pentacarbonyl-tungsten)-carbene)-4,6-diethoxy-5,5,5,5-tetracarbonyl-5-tungsta-cyclopenta[b]thieno[3,2-d]thiophene hemidichloromethane","","- C24.5 H17 Cl O12 S2 W2 -","- C24.5 H16 Cl O12 S2 W2 -","- C392 H256 Cl16 O192 S32 W32 -","16","","","Lamprecht, Zandria; van Jaarsveld, Nina A.; Bezuidenhout, Daniela I.; Liles, David C.; Lotz, Simon","Synthesis and properties of mono- and dimetal Fischer multicarbene complexes derived from thiophene and thieno[2,3-b]thiophene.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19218","19231","10.1039/c5dt03555d","","","0.71073","MoKα","","0.0302","0.02","","","0.0416","0.0446","","","","","","1.091","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7037538","25.9224","0.0015","25.9224","0.0015","41.59","0.004","90","","90","","90","","27947","4","293","2","293","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C216 H288 O108 Ti26 -","- C216 H224 O108 Ti26 -","- C864 H896 O432 Ti104 -","4","","","Hou, Jin-Le; Luo, Wen; Wu, Yin-Yin; Su, Hu-Chao; Zhang, Guang-Lin; Zhu, Qin-Yu; Dai, Jie","Two Ti13-oxo-clusters showing non-compact structures, film electrode preparation and photocurrent properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19829","19835","10.1039/c5dt03153b","","","0.71075","MoKα","","0.1588","0.1167","","","0.1693","0.1873","","","","","","1.155","","","","has coordinates,has disorder","170861","2020-10-21","18:00:00",""
"7037539","25.876","0.003","25.876","0.003","43.429","0.006","90","","90","","90","","29079","6","293","2","293","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C108 H140 Cl4 O54 Ti13 -","- C108 H140 Cl4 O54 Ti13 -","- C864 H1120 Cl32 O432 Ti104 -","8","","","Hou, Jin-Le; Luo, Wen; Wu, Yin-Yin; Su, Hu-Chao; Zhang, Guang-Lin; Zhu, Qin-Yu; Dai, Jie","Two Ti13-oxo-clusters showing non-compact structures, film electrode preparation and photocurrent properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19829","19835","10.1039/c5dt03153b","","","0.71075","MoKα","","0.1579","0.1353","","","0.1891","0.199","","","","","","1.218","","","","has coordinates","170861","2020-10-21","18:00:00",""
"7039189","29.1802","0.001","29.1802","0.001","16.145","0.0006","90","","90","","90","","13747.2","0.8","173","2","173","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C140 H108 Cl12 N8 O28 Ti10 -","- C140 H108 Cl12 N8 O28 Ti10 -","- C560 H432 Cl48 N32 O112 Ti40 -","4","","","Chaumont, Clément; Chaumont, Alain; Kyritsakas, Nathalie; Mobian, Pierre; Henry, Marc","Titanium oxo-clusters derivatized from the Ti10O12(cat)8(py)8 complex: structural investigation and spectroscopic studies of light absorption.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8760","8769","10.1039/c6dt00632a","","","0.71073","MoKα","","0.1803","0.1028","","","0.1902","0.2206","","","","","","1.005","","","","has coordinates","185444","2020-10-21","18:00:00",""
"7039190","31.272","0.003","31.272","0.003","15.6882","0.0014","90","","90","","90","","15342","2","173","2","173","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C156 H124 Cl12 N8 O44 Ti10 -","- C156 H124 Cl12 N8 O44 Ti10 -","- C624 H496 Cl48 N32 O176 Ti40 -","4","","","Chaumont, Clément; Chaumont, Alain; Kyritsakas, Nathalie; Mobian, Pierre; Henry, Marc","Titanium oxo-clusters derivatized from the Ti10O12(cat)8(py)8 complex: structural investigation and spectroscopic studies of light absorption.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8760","8769","10.1039/c6dt00632a","","","0.71073","MoKα","","0.2592","0.1172","","","0.2389","0.3086","","","","","","1.054","","","","has coordinates","185444","2020-10-21","18:00:00",""
"7040284","42.8834","0.0004","42.8834","0.0004","83.8832","0.001","90","","90","","90","","154260","3","100","2","100","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C310 H596 B12 Cl24 Fe60 N108 O174 -","- C300 H362 B12 Cl18 Fe60 N108 O177.86 -","- C2400 H2896 B96 Cl144 Fe480 N864 O1422.88 -","8","","","Jiménez, J-R; Mondal, A.; Chamoreau, L.-M.; Fertey, P.; Tuna, F.; Julve, M.; Bousseksou, A.; Lescouëzec, R; Lisnard, L.","An {Fe60} tetrahedral cage: building nanoscopic molecular assemblies through cyanometallate and alkoxo linkers.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17610","17615","10.1039/c6dt03151j","","","0.6683","synchrotron","","0.1327","0.0947","","","0.28","0.3249","","","","","","1.042","","","","has coordinates,has disorder","190184","2020-10-21","18:00:00",""
"7041021","20.549","0.0018","20.549","0.0018","13.464","0.002","90","","90","","90","","5685.3","1.1","296","2","296","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C56 H56 Fe2 N16 W -","- C56 H56 Fe2 N16 W -","- C224 H224 Fe8 N64 W4 -","4","","","Wei, Rong-Min; Kong, Ming; Cao, Fan; Li, Jing; Pu, Tian-Cheng; Yang, Li; Zhang, Xiu-Ling; Song, You","Water induced spin-crossover behaviour and magneto-structural correlation in octacyanotungstate(iv)-based iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18643","18652","10.1039/c6dt03421g","","","0.71073","MoKα","","0.057","0.0337","","","0.0766","0.0853","","","","","","1.089","","","","has coordinates,has disorder","190118","2020-10-21","18:00:00",""
"7041066","27.5814","0.0006","27.5814","0.0006","18.4546","0.0004","90","","90","","90","","14039","0.5","100","","100","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C100 H144 Cu5 Mn10 N12 O60 -","- C100 H144 Cu5 Mn10 N12 O60 -","- C400 H576 Cu20 Mn40 N48 O240 -","4","","","Frost, Jamie M.; Kettles, Fraser J.; Wilson, Claire; Murrie, Mark","Rational serendipity: ""undirected"" synthesis of a large {MnCu} complex from pre-formed Mn(II) building blocks.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18094","18097","10.1039/c6dt03914f","","","0.71073","MoKα","","0.0556","0.0428","","","0.1177","0.1279","","","","","","1.02","","","","has coordinates,has disorder","190160","2020-10-21","18:00:00",""
"7041069","28.2049","0.0003","28.2049","0.0003","26.1852","0.0005","90","","90","","90","","20830.8","0.5","100","2","100","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C60 H58 Ce N4 Na O2 -","- C60 H58 Ce N4 Na O2 -","- C960 H928 Ce16 N64 Na16 O32 -","16","","","Armstrong, Keith C.; Hohloch, Stephan; Lohrey, Trevor D.; Zarkesh, Ryan A.; Arnold, John; Anstey, Mitchell R.","Control of clustering behavior in anionic cerium(iii) corrole complexes: from oligomers to monomers.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18653","18660","10.1039/c6dt03884k","","","0.71073","MoKα","","0.0748","0.0453","","","0.1245","0.1462","","","","","","1.078","","","","has coordinates","190112","2020-10-21","18:00:00",""
"7042832","24.8871","0.0008","24.8871","0.0008","34.3819","0.0014","90","","90","","90","","21295","1.3","100","2","99.99","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C184 H168 Cl8 N48 O56 Zn4 -","- C184 H168 Cl8 N48 O56 Zn4 -","- C736 H672 Cl32 N192 O224 Zn16 -","4","","","Barry, Dawn; Hawes, Chris Samuel; Byrne, Joseph Peter; la Cour Poulsen, Bjørn; Ruether, Manuel; O'Brien, John E; Gunnlaugsson, Thorfinnur","A folded [2×2] metallo-supramolecular grid from a bis-tridentate (1,2,3-triazol-4-yl)-picolinamide (tzpa) ligand","Dalton Trans.","2017","","","","","10.1039/C7DT01533J","","x-ray","1.54178","CuKα","","0.0597","0.0477","","","0.1355","0.1479","","","","","","1.018","","","","has coordinates,has disorder","195840","2020-10-21","18:00:00",""
"7042907","14.9255","0.0007","14.9255","0.0007","15.314","0.0007","90","","90","","90","","3411.5","0.3","100","","99.99","","","","","","","","","6","I 41/a","-I 4ad","88","","Bis(2-picolylamino)zinc perchlorate","","- C12 H16 Cl2 N4 O8 Zn -","- C12 H16 Cl2 N4 O8 Zn -","- C96 H128 Cl16 N32 O64 Zn8 -","8","","","Reddy, Andrew; Sangenito, Leandro Stefano; Guedes, Arthur de Azevedo; Branquinha, Marta Helena; Kavanagh, Kevin; McGinley, John; Dos Santos, André Luis Souza; Velasco-Torrijos, Trinidad","Glycosylated metal chelators as anti-parasitic agents with tunable selectivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5297","5307","10.1039/c6dt04615k","","x-ray","0.71073","MoKα","","0.0606","0.05","","","0.0984","0.1018","","","","","","1.28","","","","has coordinates,has disorder","196244","2020-10-21","18:00:00",""
"7043038","36.96","0.003","36.96","0.003","11.4658","0.0011","90","","90","","90","","15663","2","110","","110","","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C36 H52 Ga N2 O2 P Si -","- C36 H52 Ga N2 O2 P Si -","- C576 H832 Ga16 N32 O32 P16 Si16 -","16","","","Balmer, Markus; Kapitein, Manuel; von Hänisch, Carsten","Improved reactivity of a cyclic 13/15 compound by increased steric demand","Dalton Trans.","2017","","","","","10.1039/C7DT00950J","","x-ray","0.71073","MoKα","","0.0666","0.0419","","","0.0849","0.0923","","","","","","1.011","","","","has coordinates,has disorder","196783","2020-10-21","18:00:00",""
"7043140","39.612","0.007","39.612","0.007","10.206","0.006","90","","90","","90","","16014","10","100","2","100","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C84 H136 Ge4 N4 -","- C84 H136 Ge4 N4 -","- C672 H1088 Ge32 N32 -","8","","","Roesky, Herbert W.; Kundu, Subrata; Samuel, Prinson P.; Luebben, Anna; Andrada, Diego Marcelo; Frenking, G.; Dittrich, Birger","Carbene Stabilized Interconnected Bis-germylene and its Silicon Analogue with Small Methyl Substituents","Dalton Trans.","2017","","","","","10.1039/C7DT01796K","","","0.6358","synchrotron","","0.0388","0.0307","","","0.0853","0.0876","","","","","","1.034","","","","has coordinates,has disorder","197015","2020-10-21","18:00:00",""
"7043141","39.475","0.017","39.475","0.017","10.222","0.008","90","","90","","90","","15929","16","100","2","100","2","","","","","","","","4","I 41/a","-I 4ad","88","carbene stabilized bissilylene","","","- C42 H68 N2 Si2 -","- C42 H68 N2 Si2 -","- C672 H1088 N32 Si32 -","16","","","Roesky, Herbert W.; Kundu, Subrata; Samuel, Prinson P.; Luebben, Anna; Andrada, Diego Marcelo; Frenking, G.; Dittrich, Birger","Carbene Stabilized Interconnected Bis-germylene and its Silicon Analogue with Small Methyl Substituents","Dalton Trans.","2017","","","","","10.1039/C7DT01796K","","","0.6538","synchrotron","","0.0483","0.0401","","","0.1091","0.1124","","","","","","1.271","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7043279","19.81131","0.00015","19.81131","0.00015","56.5195","0.0005","90","","90","","90","","22183.2","0.3","293","2","293","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C69.6 H60.5 Co2 N12 O48.25 Sb8 V14 -","- C69.6 H48 Co2 N12 O49.25 Sb7.88 V14 -","- C556.8 H384 Co16 N96 O394 Sb63.04 V112 -","8","","","Cui, Xiaobing; guo, haiyang; Zhang, Xiao; xiao, lina","An unprecedented antimonato-polyoxovanadate (SbPOVs) based on both α-[V14Sb8O42]4- and β-[V14Sb8O42]4- isomers","Dalton Trans.","2017","","","","","10.1039/C7DT01229B","","","0.71073","MoKα","","0.0839","0.0566","","","0.1454","0.1712","","","","","","1.095","","","","has coordinates,has disorder","197676","2020-10-21","18:00:00",""
"7043280","19.81131","0.00015","19.81131","0.00015","56.5195","0.0005","90","","90","","90","","22183.2","0.3","293","2","293","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C69.6 H60.5 Co2 N12 O48.25 Sb8 V14 -","- C69.6 H44 Co2 N12 O48.25 Sb8 V14 -","- C556.8 H352 Co16 N96 O386 Sb64 V112 -","8","","","Cui, Xiaobing; guo, haiyang; Zhang, Xiao; xiao, lina","An unprecedented antimonato-polyoxovanadate (SbPOVs) based on both α-[V14Sb8O42]4- and β-[V14Sb8O42]4- isomers","Dalton Trans.","2017","","","","","10.1039/C7DT01229B","","","0.71073","MoKα","","0.0936","0.0664","","","0.1799","0.2113","","","","","","1.022","","","","has coordinates","197676","2020-10-21","18:00:00",""
"7043430","10.0061","0.0001","10.0061","0.0001","26.11","0.0008","90","","90","","90","","2614.19","0.09","100","2","100","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C5 H12 Cl3 Nb S Se2 -","- C5 H12 Cl3 Nb S Se2 -","- C40 H96 Cl24 Nb8 S8 Se16 -","8","","","Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian","Chalcogenoether complexes of Nb(V) thio- and seleno-halides as single source precursors for low pressure chemical vapour deposition of NbS2 and NbSe2 thin films","Dalton Trans.","2017","","","","","10.1039/C7DT01911D","","","0.71073","MoKα","","0.0423","0.0302","","","0.0634","0.0679","","","","","","1.027","","","","has coordinates","198153","2020-10-21","18:00:00",""
"7043946","17.317","0.005","17.317","0.005","30.722","0.005","90","","90","","90","","9213","4","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C40 H42 Cu2 Dy N9 O13 -","- C40 H42 Cu2 Dy N9 O13 -","- C320 H336 Cu16 Dy8 N72 O104 -","8","","","Mahapatra, Prithwish; Ghosh, Soumavo; Koizumi, Naoki; Kanetomo, Takuya; Ishida, Takayuki; Drew, Michael G.B; Ghosh, Ashutosh","Structural Variations in (CuL)2Ln Complexes of a Series of Lanthanide Ions with Salen-Type Unsymmetrical Schiff Base(H2L): The Dy and Tb Derivatives as Potential Single-Molecule Magnets","Dalton Trans.","2017","","","","","10.1039/C7DT02061A","","","0.71073","MoKα","","0.0987","0.0709","","","0.1823","0.1996","","","","","","1.137","","","","has coordinates","199711","2020-10-21","18:00:00",""
"7043947","17.351","0.017","17.351","0.017","30.46","0.02","90","","90","","90","","9170","14","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C40 H42 Cu2 N9 O13 Tb -","- C40 H42 Cu2 N9 O13 Tb -","- C320 H336 Cu16 N72 O104 Tb8 -","8","","","Mahapatra, Prithwish; Ghosh, Soumavo; Koizumi, Naoki; Kanetomo, Takuya; Ishida, Takayuki; Drew, Michael G.B; Ghosh, Ashutosh","Structural Variations in (CuL)2Ln Complexes of a Series of Lanthanide Ions with Salen-Type Unsymmetrical Schiff Base(H2L): The Dy and Tb Derivatives as Potential Single-Molecule Magnets","Dalton Trans.","2017","","","","","10.1039/C7DT02061A","","","0.71073","MoKα","","0.0741","0.0454","","","0.1175","0.1335","","","","","","1.054","","","","has coordinates","199711","2020-10-21","18:00:00",""
"7043948","17.341","0.003","17.341","0.003","30.703","0.013","90","","90","","90","","9233","5","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C40 H42 Cu2 Gd N9 O13 -","- C40 H42 Cu2 Gd N9 O13 -","- C320 H336 Cu16 Gd8 N72 O104 -","8","","","Mahapatra, Prithwish; Ghosh, Soumavo; Koizumi, Naoki; Kanetomo, Takuya; Ishida, Takayuki; Drew, Michael G.B; Ghosh, Ashutosh","Structural Variations in (CuL)2Ln Complexes of a Series of Lanthanide Ions with Salen-Type Unsymmetrical Schiff Base(H2L): The Dy and Tb Derivatives as Potential Single-Molecule Magnets","Dalton Trans.","2017","","","","","10.1039/C7DT02061A","","","0.71073","MoKα","","0.1115","0.0713","","","0.1931","0.2331","","","","","","0.964","","","","has coordinates","199711","2020-10-21","18:00:00",""
"7044566","20.7098","0.0011","20.7098","0.0011","27.0998","0.0016","90","","90","","90","","11623","1.1","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C26 H20 Cl2 Cu N6 O9.5 -","- C26 H20 Cl2 Cu N6 O9.5 -","- C416 H320 Cl32 Cu16 N96 O152 -","16","","","Sethuraman, Muthuramalingam; Khamrang, Themmila; Velusamy, Marappan; Ramasamy, Mayilmurugan","Catalytic fixation of atmospheric carbon dioxide by copper(II) complexes of bidentate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT03062B","","","0.71073","MoKα","","0.1496","0.0858","","","0.2371","0.292","","","","","","1.032","","","","has coordinates","202390","2020-10-21","18:00:00",""
"7044650","11.8893","0.0005","11.8893","0.0005","42.742","0.002","90","","90","","90","","6041.8","0.5","193","2","193","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C26 H27 Cl2 Co N6 O10 -","- C26 H22 Cl2 Co N6 O10 -","- C208 H176 Cl16 Co8 N48 O80 -","8","","","Carmos dos Santos, Nadia Alessandra; Natali, Mirco; Badetti, Elena; Wurst, Klaus; Licini, Giulia; ZONTA, CRISTIANO","Cobalt, nickel, and iron complexes of 8-hydroxyquinoline-di(2-picolyl)amine for light-driven hydrogen evolution","Dalton Transactions","2017","","","","","10.1039/C7DT02666H","","","0.71073","MoKα","","0.0655","0.046","","","0.1081","0.1168","","","","","","1.027","","","","has coordinates,has disorder","202591","2020-10-21","18:00:00",""
"7045342","32.9387","0.0017","32.9387","0.0017","8.6913","0.0004","90","","90","","90","","9429.7","0.8","120","","120","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C58 H32 F10 Ir2 N6 O2 -","- C58 H32 F10 Ir2 N6 O2 -","- C464 H256 F80 Ir16 N48 O16 -","8","","","Congrave, Daniel G.; Hsu, Yu-Ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.","Sky-blue emitting bridged diiridium complexes: beneficial effects of intramolecular π‒π stacking","Dalton Transactions","2018","","","","","10.1039/C7DT04201A","","x-ray","0.71073","MoKα","","0.0566","0.0328","","","0.0515","0.0556","","","","","","1.174","","","","has coordinates","205481","2020-10-21","18:00:00",""
"7045499","23.3697","0.0004","23.3697","0.0004","20.7308","0.0009","90","","90","","90","","11322","0.6","296","2","296","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C48 H112 Ga4 Mn6 N16 S20 Sn4 -","- C48 H112 Ga4.0002 Mn5.9998 N16 S20 Sn4 -","- C192 H448 Ga16.0008 Mn23.9992 N64 S80 Sn16 -","4","","","Zhang, Yingying; Hu, Dandan; Xue, Chaozhuang; Yang, Huajun; Wang, Xiang; Wu, Tao","A 3D Neutral Chalcogenide Framework Built from Supertetrahedral T3 Cluster and Metal Complex for Electrocatalytic Oxygen Reduction Reaction.","Dalton Transactions","2018","","","","","10.1039/C7DT04891B","","","0.71073","MoKα","","0.073","0.0434","","","0.091","0.1084","","","","","","1.076","","","","has coordinates,has disorder","206003","2020-10-21","18:00:00",""
"7046273","37.2496","0.0005","37.2496","0.0005","14.5258","0.0002","90","","90","","90","","20155","0.5","150.01","0.1","150.01","0.1","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C47 H77 B3 Mg N2 O6 -","- C47 H77 B3 Mg N2 O6 -","- C752 H1232 B48 Mg16 N32 O96 -","16","","","Hill, Michael; Mahon, Mary F.; Pecharman, Anne-Frederique","Diborane Heterolysis: Breaking and Making B-B bonds at Magnesium","Dalton Transactions","2018","","","","","10.1039/C8DT01451E","","x-ray","1.54184","CuKα","","0.0793","0.0557","","","0.1311","0.1444","","","","","","1.035","","","","has coordinates,has disorder","207701","2020-10-21","18:00:00",""
"7046373","17.887","0.016","17.887","","10.612","0.01","90","","90","","90","","3395","4","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C20 H60 Ga4 Mg4 O4 -","- C20 H60 Ga4 Mg4 O4 -","- C80 H240 Ga16 Mg16 O16 -","4","","","Stuhl, Christoph; Anwander, Reiner","Dimethylmagnesium revisited","Dalton Transactions","2018","","","","","10.1039/C8DT01542B","","","0.71073","MoKα","","0.0222","0.0182","","","0.0466","0.0481","","","","","","1.03","","","","has coordinates","207813","2020-10-21","18:00:00",""
"7047129","37.9658","0.0017","37.9658","0.0017","12.125","0.0009","90","","90","","90","","17477","1.7","293","2","293","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C41 H36 N2 O7 P2 Pt S3 -","- C41 H36 N2 O7 P2 Pt S3 -","- C656 H576 N32 O112 P32 Pt16 S48 -","16","","","Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Cevatemre, Buse; Alper, Pinar; Ulukaya, Engin","Palladium(II) and platinum(II) saccharinate complexes with bis(diphenylphosphino)methane/ethane: synthesis, S-phase arrest and ROS-mediated apoptosis in human colon cancer cells","Dalton Transactions","2018","","","","","10.1039/C8DT02389A","","x-ray","0.71073","MoKα","","0.2173","0.0859","","","0.1626","0.2193","","","","","","0.95","","","","has coordinates","209250","2020-10-21","18:00:00",""
"7047591","41.823","0.002","41.823","0.002","9.8448","0.0006","90","","90","","90","","17220.2","1.6","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C53 H41 Cl Hg N4 -","- C53 H40 Cl Hg N4 -","- C848 H640 Cl16 Hg16 N64 -","16","","","Tung, Jo-Yu; Chen, Yi-Chun; Liu, Ta-Kang; Tsai, Wei-Joe; Lin, Hsiang-Yin; Chen, Jyh-Horung; Chang, Yu-Chang","The η1-H‒C…Hg agostic interactions in mercury complexes of N-confused porphyrin","Dalton Transactions","2018","","","","","10.1039/C8DT02895H","","x-ray","0.71073","MoKα","","0.0648","0.0529","","","0.1144","0.1189","","","","","","1.187","","","","has coordinates,has disorder","211069","2020-10-21","18:00:00",""
"7047593","31.7147","0.0018","31.7147","0.0018","18.769","0.0013","90","","90","","90","","18878","2","150","2","150","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C53 H37 Hg I N4 O2 -","- C53 H37 Hg I N4 O2 -","- C848 H592 Hg16 I16 N64 O32 -","16","","","Tung, Jo-Yu; Chen, Yi-Chun; Liu, Ta-Kang; Tsai, Wei-Joe; Lin, Hsiang-Yin; Chen, Jyh-Horung; Chang, Yu-Chang","The η1-H‒C…Hg agostic interactions in mercury complexes of N-confused porphyrin","Dalton Transactions","2018","","","","","10.1039/C8DT02895H","","x-ray","0.71073","MoKα","","0.0667","0.036","","","0.0835","0.1009","","","","","","1.056","","","","has coordinates","211069","2020-10-21","18:00:00",""
"7047646","22.4281","0.0007","22.4281","0.0007","11.1579","0.0008","90","","90","","90","","5612.6","0.5","170","2","170","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C12 H8 N2 O5 Pb2 -","- C12 H8 N2 O5 Pb2 -","- C192 H128 N32 O80 Pb32 -","16","","","Zhai, Lu; Wu, Xiao-Shuo; Wang, Yi-Xiong; Li, Shan-Qing; Qian, Yin; Wang, Xiao-Zu; Ren, Xiaoming","Metal ion coordination enhancing quantum efficiency of ligand phosphorescence in a double-stranded helical chain coordination polymer of Pb2+ with nicotinic acid","Dalton Transactions","2018","","","","","10.1039/C8DT03589J","","","0.71073","MoKα","","0.0482","0.0387","","","0.0886","0.093","","","","","","1.03","","","","has coordinates","211166","2020-10-21","18:00:00",""
"7048032","12.52","0.0005","12.52","0.0005","35.8306","0.0008","90","","90","","90","","5616.5","0.3","295","","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C38 H34 Cu4 F12 N4 O11 -","- C38 H34 Cu4 F12 N4 O11 -","- C152 H136 Cu16 F48 N16 O44 -","4","","","Das, Manisha; Canaj, Angelos; Bertolasi, Valerio; Murrie, Mark; Ray, Debashis","Strategic Synthesis of [Cu2], [Cu4] and [Cu5] Complexes: Inhibition and Triggering of Ligand Arm Hydrolysis and Self-aggregation by Chosen Ancillary Bridges","Dalton Transactions","2018","","","","","10.1039/C8DT03390K","","","0.71073","MoKα","","0.0592","0.0431","","","0.1237","0.1347","","","","","","0.991","","","","has coordinates,has disorder","211911","2020-10-21","18:00:00",""
"7048354","20.6006","0.0008","20.6006","0.0008","10.102","0.0006","90","","90","","90","","4287.1","0.3","116","","116","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C46 H24 Br8 Cl4 Cu N4 -","- C46 H24 Br8 Cl4 Cu N4 -","- C184 H96 Br32 Cl16 Cu4 N16 -","4","","","Rueffer, Tobias; Al-Shewiki, Rasha; Korb, Marcus; Hildebrandt, Alexander; Zahn, Stefan; Naumov, Sergej; Buschbeck, Roy; Lang, Heinrich","Diaqua-β-Octaferrocenyltetraphenylporphyrin: A Multiredox-active and Air-stable 16π Non-Aromat","Dalton Transactions","2018","","","","","10.1039/C8DT04135K","","","1.54184","CuKα","","0.0537","0.0461","","","0.1305","0.135","","","","","","1.075","","","","has coordinates,has disorder","212564","2020-10-21","18:00:00",""
"7048582","27.3856","0.0001","27.3856","0.0001","26.848","0.0002","90","","90","","90","","20135.2","0.18","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C54 H73 N O6 W -","- C54 H73 N O6 W -","- C864 H1168 N16 O96 W16 -","16","","","Sun, Ziyue; Zhao, Yanxia; Prior, Timothy J.; Elsegood, Mark R. J.; Wang, Kuiyuan; Xing, Tian; Redshaw, Carl","Mono-oxo molybdenum(vi) and tungsten(vi) complexes bearing chelating aryloxides: synthesis, structure and ring opening polymerization of cyclic esters","Dalton Transactions","2019","","","","","10.1039/C8DT04566F","","x-ray","0.71073","MoKα","","0.0349","0.0321","","","0.0612","0.062","","","","","","1.279","","","","has coordinates,has disorder","212970","2020-10-21","18:00:00",""
"7048686","23.5322","0.0006","23.5322","0.0006","21.991","0.0006","90","","90","","90","","12177.8","0.6","173","","173","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C24 H45 I3 Mo N P2 -","- C24 H45 I3 Mo N P2 -","- C384 H720 I48 Mo16 N16 P32 -","16","","","Itabashi, Takayuki; Mori, Okki; Arashiba, Kazuya; Eizawa, Aya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Effect of substituents on molybdenum triiodide complexes bearing PNP-type pincer ligands toward catalytic nitrogen fixation","Dalton Transactions","2019","","","","","10.1039/C8DT04975K","","","0.71075","MoKα","","0.0876","0.0552","","","0.134","0.1502","","","","","","0.987","","","","has coordinates","213248","2020-10-21","18:00:00",""
"7048691","23.7105","0.001","23.7105","0.001","22.0142","0.0005","90","","90","","90","","12376.1","0.8","173","","173","","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C24 H45 I3 Mo N O P2 -","- C24 H45 I3 Mo N O P2 -","- C384 H720 I48 Mo16 N16 O16 P32 -","16","","","Itabashi, Takayuki; Mori, Okki; Arashiba, Kazuya; Eizawa, Aya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Effect of substituents on molybdenum triiodide complexes bearing PNP-type pincer ligands toward catalytic nitrogen fixation","Dalton Transactions","2019","","","","","10.1039/C8DT04975K","","","0.71075","MoKα","","0.0978","0.0692","","","0.1518","0.1652","","","","","","1.074","","","","has coordinates","213248","2020-10-21","18:00:00",""
"7049049","20.9394","0.001","20.9394","0.001","17.7553","0.0019","90","","90","","90","","7785","1","150","","150","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C82 H72 Fe8 Ge6 O14 -","- C82 H72 Fe8 Ge6 O14 -","- C328 H288 Fe32 Ge24 O56 -","4","","","Schnepf, Andreas; Schrenk, Claudio; Preißing, Lars","On the reaction of GeCl2·Dioxane with KFeCp(CO)2: Isolation and characterization of novel bimetallic clusters","Dalton Transactions","2019","","","","","10.1039/C9DT00097F","","x-ray","0.71073","MoKα","","0.0776","0.0497","","","0.1301","0.154","","","","","","1.031","","","","has coordinates","213700","2020-10-21","18:00:00",""
"7049395","40.6216","0.0012","40.6216","0.0012","12.3875","0.0005","90","","90","","90","","20440.8","1.2","110","","110","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C32 H48 Cu4 I22 N16 Sb6 -","- C32 H48 Cu4 I22 N16 Sb6 -","- C256 H384 Cu32 I176 N128 Sb48 -","8","","","Dehnhardt, Natalie; Böth, André; Heine, Johanna","Surprising discoveries on the way to an old compound: four transient iodido antimonates","Dalton Transactions","2019","","","","","10.1039/C9DT00575G","","","0.71073","MoKα","","0.0709","0.0434","","","0.0812","0.0895","","","","","","1.069","","","","has coordinates","214282","2020-10-21","18:00:00",""
"7049871","22.5847","0.0005","22.5847","0.0005","17.1723","0.0005","90","","90","","90","","8759.1","0.4","296","2","296","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C25 H15 N4 O4 Re -","- C25 H15 N4 O4 Re -","- C400 H240 N64 O64 Re16 -","16","","","Das, Tapashi; Rajak, Kajal Krishna","Experimental and theoretical investigation of a metalloreceptor bearing a [Re(CO)3]+ core incorporating a multifunctional ligand: selective reactivity towards Zn2+ and CN− ions","Dalton Transactions","2019","","","","","10.1039/C9DT00901A","","","0.71073","MoKα","","0.0374","0.0255","","","0.0867","0.1011","","","","","","0.789","","","","has coordinates","214809","2020-10-21","18:00:00",""
"7049911","12.3208","0.0017","12.3208","0.0017","34.355","0.007","90","","90","","90","","5215.2","1.5","293","2","293","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C32 H56 Cl Co2 N16 O12 W -","- C32 H52 Cl Co2 N16 O12 W -","- C128 H208 Cl4 Co8 N64 O48 W4 -","4","","","Qian, Jun; Yoshikawa, Hirofumi; Hu, jingchun; Humphrey, Mark G.; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi","Auxiliary ligand-induced structural diversities of octacyanometalate-based heterobimetallic coordination polymers towards diverse magnetic properties","Dalton Transactions","2019","","","","","10.1039/C9DT00654K","","","0.71073","MoKα","","0.0399","0.0349","","","0.0893","0.0922","","","","","","1.081","","","","has coordinates","214873","2020-10-21","18:00:00",""
"7049913","12.332","0.0017","12.332","0.0017","34.23","0.007","90","","90","","90","","5205.6","1.5","293","2","293","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C32 H56 Cl Co2 Mo N16 O12 -","- C32 H56 Cl Co2 Mo N16 O12 -","- C128 H224 Cl4 Co8 Mo4 N64 O48 -","4","","","Qian, Jun; Yoshikawa, Hirofumi; Hu, jingchun; Humphrey, Mark G.; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi","Auxiliary ligand-induced structural diversities of octacyanometalate-based heterobimetallic coordination polymers towards diverse magnetic properties","Dalton Transactions","2019","","","","","10.1039/C9DT00654K","","","0.71073","MoKα","","0.0736","0.0565","","","0.1228","0.1323","","","","","","1.116","","","","has coordinates","214873","2020-10-21","18:00:00",""
"7049942","32.0061","0.001","32.0061","0.001","13.945","0.0005","90","","90","","90","","14285.1","0.8","193","2","193","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C38 H54 Al N3 -","- C38 H54 Al N3 -","- C608 H864 Al16 N48 -","16","","","Gallardo-Villagrán, Manuel; Vidal, Fernando; Palma, Pilar; Alvarez González, Eleuterio; Chen, Eugene; Campora, Juan; Rodríguez Delgado, Antonio","Aluminium (III) dialkyl 2,6-bisimino-4R-dihydropyridinates(-1): Selective Synthesis, Structure and Controlled Dimerization.","Dalton Transactions","2019","","","","","10.1039/C9DT00847K","","","0.71073","MoKα","","0.0939","0.048","","","0.1228","0.1384","","","","","","0.975","","","","has coordinates,has disorder","214924","2020-10-21","18:00:00",""
"7054072","28.365","0.004","28.365","0.004","13.361","0.003","90","","90","","90","","10750","3","95","2","95","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C18 H33 Co2 N2 O11.5 -","- C18 H30 Co2 N2 O10 -","- C288 H480 Co32 N32 O160 -","16","","","Kim, Tae Kyung; Lee, Kyung Joo; Choi, Min; Park, Noejung; Moon, Dohyun; Moon, Hoi Ri","Metal‒organic frameworks constructed from flexible ditopic ligands: conformational diversity of an aliphatic ligand","New Journal of Chemistry","2013","37","12","4130","","10.1039/c3nj00812f","","","0.80003","synchrotron","","0.0645","0.0614","","","0.1411","0.1423","","","","","","1.206","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054446","19.53","0.002","19.53","0.002","15.3376","0.0016","90","","90","","90","","5850.1","1","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C60 H72 N8 O4 S4 -","- C60 H72 N8 O4 S4 -","- C240 H288 N32 O16 S16 -","4","","","Zhao, Jiang-Lin; Tomiyasu, Hirotsugu; Ni, Xin-Long; Zeng, Xi; Elsegood, Mark R. J.; Redshaw, Carl; Rahman, Shofiur; Georghiou, Paris E.; Yamato, Takehiko","Synthesis and evaluation of a novel ionophore based on a thiacalix[4]arene derivative bearing imidazole units","New J. Chem.","2014","38","12","6041","","10.1039/C4NJ01099J","","","0.71073","MoKα","","0.0789","0.0401","","","0.0748","0.0899","","","","","","1.041","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054999","25.2633","0.0003","25.2633","0.0003","11.2412","0.0002","90","","90","","90","","7174.52","0.18","295","2","295","2","","","","","","","","5","I 41/a","-I 4ad","88","","cis-dioxido-methanol-(2-oxo-1-naphthaldehyde isonicotinylhydrazonato-O,N,O)molybdenum(VI)","","- C18 H15 Mo N3 O5 -","- C18 H15 Mo N3 O5 -","- C288 H240 Mo16 N48 O80 -","16","","","Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina","Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation","New J. Chem.","2015","39","9","7322","","10.1039/C5NJ01567G","","","0.71073","MoKα","","0.047","0.0343","","","0.0632","0.0668","","","","","","1.092","","","","has coordinates","155212","2020-10-21","18:00:00",""
"7055075","23.9673","0.0005","23.9673","0.0005","7.5322","0.0003","90","","90","","90","","4326.7","0.2","173","2","173","2","","","","","","","","4","I 41/a","-I 4ad","88","","(E)-2,3-diiodo-3-phenylprop-2-en-1-ol","","- C9 H8 I2 O -","- C9 H8 I2 O -","- C144 H128 I32 O16 -","16","","","Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin","Halogen bonding in the crystal structures of 1,2-diiodo alkenes","New J. Chem.","2015","39","11","8522","","10.1039/C5NJ00821B","","","0.71073","MoKα","","0.0386","0.0225","","","0.0412","0.0432","","","","","","0.89","","","","has coordinates,has disorder","171310","2020-10-21","18:00:00",""
"7058129","38.5719","0.0014","38.5719","0.0014","14.8762","0.0011","90","","90","","90","","22133","2","120","2","120","2","","","","","","","","5","I 41/a","-I 4ad","88","","complex between 3-[4-(2-naphthyl)pyridinium-1-yl]propane-1-sulfonateand cucurbit[8]uril, water solvate","","- C84 H113.4 N34 O37.7 S2 -","- C84 H82 N34 O37.7 S2 -","- C672 H656 N272 O301.6 S16 -","8","","","Vedernikov, Artem I.; Lobova, Natalia A.; Kuzmina, Lyudmila G.; Fomina, Marina V.; Strelenko, Yuri A.; Howard, Judith A. K.; Gromov, Sergey P.","Self-assembly of cucurbiturils and cyclodextrins to supramolecular millstones with naphthalene derivatives capable of translocations in the host cavities","New Journal of Chemistry","2019","","","","","10.1039/C8NJ04685A","","","0.71073","MoKα","","0.1936","0.1076","","","0.3069","0.3502","","","","","","1.107","","","","has coordinates,has disorder","213309","2020-10-21","18:00:00",""
"7058352","25.773","0.008","25.773","0.008","16.667","0.003","90","","90","","90","","11071","5","293","2","293","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C27 H27 Cl N2 O8 -","- C27 H27 Cl N2 O8 -","- C432 H432 Cl16 N32 O128 -","16","","","Huang, Ying; Huang, Yi-Xin; Sun, Jing; Yan, Chaoguo","[3+2] cycloaddition reaction for synthesis of spiro[indoline-3,3'-pyrrolidines] and evaluation of cytotoxicity to cancer cells","New Journal of Chemistry","2019","","","","","10.1039/C9NJ00994A","","","0.71073","MoKα","","0.161","0.0934","","","0.2354","0.2871","","","","","","1.014","","","","has coordinates,has disorder","214929","2020-10-21","18:00:00",""
"7058422","23.1326","0.001","23.1326","0.001","14.8376","0.0008","90","","90","","90","","7939.9","0.6","293","2","293","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C56 H40 Ag4 Mo12 N16 O40 Si -","- C56 H40 Ag4 Mo12 N16 O40 Si -","- C224 H160 Ag16 Mo48 N64 O160 Si4 -","4","","","Tian, Aixiang; Fu, Yubo; Cui, Hongtao; Ying, Jun; Yang, Mengle; Yang, Yan; Wang, Xiuli","A series of metal-organic loops templated by [SiMo12O40]4- and [β-Mo8O26]4- anions by using double chelate ligands: amperometric sensoring and selective photocatalytic properties","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02224D","","","0.71073","MoKα","","0.0447","0.03","","","0.0682","0.0747","","","","","","1.032","","","","has coordinates","215561","2020-10-21","18:00:00",""
"7109524","26.7544","0.0015","26.7544","0.0015","15.648","0.0011","90","","90","","90","","11200.8","1.2","100","2","100","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C72 H82 Cl18 N16 S10 Sn4 Zn8 -","- C72 H82 Cl18 N16 S10 Sn4 Zn8 -","- C288 H328 Cl72 N64 S40 Sn16 Zn32 -","4","","","Beatrix E. K. Barth; Eliza Leusmann; Klaus Harms; Stefanie Dehnen","Towards the installation of transition metal ions on donor ligand decorated tin sulfide clusters","Chem.Commun.","2013","49","","6590","","10.1039/c3cc43649g","","","0.71073","MoKα","","0.1996","0.0667","","","0.1217","0.159","","","","","","0.806","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7111976","25.762","0.004","25.762","0.004","5.3833","0.0011","90","","90","","90","","3572.8","1.1","293","2","293","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C45 H28 Mn N5 -","- C45 H28 Mn N5 -","- C180 H112 Mn4 N20 -","4","","","Xi Chen; Shu-Qi Wu; Ai-Li Cui; Hui-Zhong Kou","A cyano-bridged single-chain magnet featuring alternate high- and low-spin manganese(III) porphyrins","Chem.Commun.","2014","50","","2120","","10.1039/c3cc48117d","","","0.71073","MoKα","","0.0634","0.0451","","","0.0958","0.1082","","","","","","1.074","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7117102","28.7283","0.0016","28.7283","0.0016","12.1809","0.0009","90","","90","","90","","10053.1","1.1","100","2","100","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C76 H28 F10 O2 -","- C76 H28 F10 O2 -","- C608 H224 F80 O16 -","8","","","Baddigam Kiran Reddy; Santosh C. Gadekar; Venkataramanarao G. Anand","Non-covalent composites of antiaromatic isophlorin-fullerene","Chem.Commun.","2015","51","","8276","","10.1039/C5cc00771B","","","0.71073","MoKα","","0.1071","0.0648","","","0.1841","0.2043","","","","","","1.234","","","","has coordinates,has disorder","180285","2020-10-21","18:00:00",""
"7118388","27.286","0.007","27.286","0.007","8.343","0.003","90","","90","","90","","6212","3","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C57 H92 N12 Ni2 O16 -","- C57 H76 N12 Ni2 O8 -","- C228 H304 N48 Ni8 O32 -","4","","","Jiang, Xiang; Kou, Hui-Zhong","Solid state reconstructive phase transition from porous supramolecular network to porous coordination polymer.","Chemical communications (Cambridge, England)","2016","52","14","2952","2955","10.1039/c5cc09808d","","","0.71073","MoKα","","0.2004","0.1094","","","0.2992","0.3443","","","","","","1.009","","","","has coordinates,has disorder","177692","2020-10-21","18:00:00",""
"7118818","24.392","0.001","24.392","0.001","4.8236","0.0003","90","","90","","90","","2869.9","0.2","296","2","296","2","","","","","","","","4","I 41/a","-I 4ad","88","","dipyrrolo[1,2-b:1 ,2 -g][2,6]naphthyridine-5,11-dione","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C144 H128 N16 O16 -","8","","","Grzybowski, Marek; Deperasińska, Irena; Chotkowski, Maciej; Banasiewicz, Marzena; Makarewicz, Artur; Kozankiewicz, Bolesław; Gryko, Daniel T.","Dipyrrolonaphthyridinediones - structurally unique cross-conjugated dyes.","Chemical communications (Cambridge, England)","2016","52","29","5108","5111","10.1039/c6cc01017b","","","1.54178","CuKα","","0.0538","0.0401","","","0.1033","0.1108","","","","","","1.045","","","","has coordinates","181562","2020-10-21","18:00:00",""
"7120986","29.502","0.0005","29.502","0.0005","10.4338","0.0002","90","","90","","90","","9081.2","0.3","100","2","100","2","","","","","","","","4","I 41/a","-I 4ad","88","","1,5-bis(trimethylsiloxy)hexaisobutylbicyclo[3.3.3]pentasiloxane","","- C30 H72 O8 Si7 -","- C30 H72 O8 Si7 -","- C240 H576 O64 Si56 -","8","","","Yokouchi, Yuki; Ishida, Shintaro; Onodera, Tsunenobu; Oikawa, Hidetoshi; Iwamoto, Takeaki","Facile synthesis and bridgehead-functionalization of bicyclo[3.3.3]pentasiloxanes","Chemical Communications","2018","","","","","10.1039/C7CC08790J","","","0.71073","MoKα","","0.0888","0.081","","","0.2032","0.211","","","","","","1.108","","","","has coordinates,has disorder","204201","2020-10-21","18:00:00",""
"7121379","26.7935","0.0017","26.7935","0.0017","9.9207","0.0013","90","","90","","90","","7122","1.1","150","2","150","2","","","","","","","","4","I 41/a","-I 4ad","88","8Ph","","","- C24 H18 B N -","- C24 H18 B N -","- C384 H288 B16 N16 -","16","","","Yruegas, Sam; Martinez, Jesse J.; Martin, Caleb Daniel","Intermolecular Insertion Reactions of Azides Into 9-Borafluorenes to Generate 9,10-B,N-Phenanthrenes","Chemical Communications","2018","","","","","10.1039/C8CC01529E","","","0.71073","MoKα","","0.1635","0.0836","","","0.1689","0.2014","","","","","","1.076","","","","has coordinates","206874","2020-10-21","18:00:00",""
"7121532","65.2962","0.0007","65.2962","0.0007","42.3749","0.0009","90","","90","","90","","180669","5","100","2","100","2","","","","","","","","8","I 41/a","-I 4ad","88","","","","- C344 H334 Cl13 F6 K2 N71 O68 S2 -","- C344 H142 Cl13 F6 K2 N71 O68 S2 -","- C5504 H2272 Cl208 F96 K32 N1136 O1088 S32 -","16","","","Mateus, Pedro; Wicher, Barbara; Ferrand, Yann; Huc, Ivan","Carbohydrate binding through first- and second-sphere coordination within aromatic oligoamide metallofoldamers","Chemical Communications","2018","","","","","10.1039/C8CC02360C","","","1.54184","CuKα","","0.2065","0.1496","","","0.378","0.4041","","","","","","2.166","","","","has coordinates,has disorder","207393","2020-10-21","18:00:00",""
"7122364","29.7978","0.0013","29.7978","0.0013","21.0965","0.001","90","","90","","90","","18731.8","1.5","90","","90","","","","","","","","","5","I 41/a","-I 4ad","88","","UO2 4 tOct Ph","","- C42 H49 N2 O5 U -","- C42 H49 N2 O5 U -","- C672 H784 N32 O80 U16 -","16","","","Chaudhry, Mohammad; Lelj, Francesco; MacLachlan, Mark","Expanded Campestarene Hosts for Tetra- and Dinuclear Uranyl(VI) Complexes","Chemical Communications","2018","","","","","10.1039/C8CC07269H","","","0.71073","MoKα","","0.0898","0.052","","","0.124","0.1479","","","","","","1.034","","","","has coordinates,has disorder","211092","2020-10-21","18:00:00",""
"7122607","19.5487","0.0006","19.5487","0.0006","29.8878","0.0016","90","","90","","90","","11421.7","0.8","147","2","147","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C208 H224 N64 Ni16 O64 -","- C208 H224 N64 Ni16 O64 -","- C208 H224 N64 Ni16 O64 -","1","","","Kivi, Charlie Eric William; Gelfand, Benjamin Sidney; Dureckova, Hana; Ho, Ha T. K.; Ma, Cindy; Shimizu, George K. H.; Woo, Tom; Song, Datong","3D Porous Metal‒Organic Framework for Selective Adsorption of Methane over Dinitrogen under Ambient Pressure","Chemical Communications","2018","","","","","10.1039/C8CC07756H","","","1.54178","CuKα","","0.1465","0.1251","","","0.2796","0.2906","","","","","","1.022","","","","has coordinates,has disorder","212074","2020-10-21","18:00:00",""
"7123229","27.2239","0.0004","27.2239","0.0004","20.9401","0.0013","90","","90","","90","","15519.6","1","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C136 H188 Cl12 N8 O28 -","- C136 H188 Cl12 N8 O28 -","- C544 H752 Cl48 N32 O112 -","4","","","Peng, Zhiyong; Guo, Xuwen; Xu, Weitao; Li, Jian; Deng, Pengchi; Xiao, Xin; Feng, Wen; Yuan, Lihua","Strong positive allosteric cooperativity in ternary complexes based on hydrogen-bonded aromatic amide macrocycles","Chemical Communications","2019","","","","","10.1039/C9CC00925F","","","1.54184","CuKα","","0.2018","0.1642","","","0.3189","0.3339","","","","","","1.027","","","","has coordinates,has disorder","214407","2020-10-21","18:00:00",""
"7156072","20.704","0.0019","20.704","0.0019","7.2027","0.0007","90","","90","","90","","3087.5","0.5","133","2","133.15","","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C144 H192 O32 -","16","","","Yujie, Zhu; Huo, Jing qian; Fan, Zhijin; Wu, Qifan; Xiang, Li; Shuang, Zhou; Xiong, Lixia; Tatiana, Kalinina; Tania, Gluhareva","Efficient construction of bioactive trans-5A5B6C spirolactones via bicyclo[4.3.0] α-hydroxyketones","Organic & Biomolecular Chemistry","2018","","","","","10.1039/C7OB02701J","","","0.71073","MoKα","","0.0419","0.034","","","0.0837","0.0892","","","","","","1.041","","","","has coordinates","205398","2020-10-21","18:00:00",""
"7156232","18.2568","0.0005","18.2568","0.0005","33.758","0.0019","90","","90","","90","","11251.9","0.8","296","2","296","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C30 H24 Cl2 I N O2 -","- C30 H24 Cl2 I N O2 -","- C480 H384 Cl32 I16 N16 O32 -","16","","","Baire, Beeraiah; Chinta, Bhavani Shankar; Vasikarla, Kamala Prasad; Sanapa, Harikrishna","Highly, regioselective electrophile induced cyclizations of 2-(prop-1-ynyl)benzamides","Organic & Biomolecular Chemistry","2018","","","","","10.1039/C8OB00434J","","","0.71073","MoKα","","0.0777","0.0472","","","0.1185","0.1487","","","","","","1.125","","","","has coordinates","207489","2020-10-21","18:00:00",""
"7156875","17.722","0.0006","17.722","0.0006","28.3433","0.0014","90","","90","","90","","8901.8","0.6","220","2","220","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C12 H25 Cl2 N5 -","- C12 H25 Cl2 N5 -","- C192 H400 Cl32 N80 -","16","","","Kocsis, Istvan Zsolt; Motloch, Petr; Guerreiro, Ana; Qiu Mexia De Azeredo, Carolina; Bernardes, Gonçalo J. L.; Hunter, Christopher Alexander","Triaminopyrimidine derivatives as transmembrane HCl transporters","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB00725C","","","1.54178","CuKα","","0.1176","0.074","","","0.1971","0.2281","","","","","","1.063","","","","has coordinates,has disorder","215344","2020-10-21","18:00:00",""
"7214346","16.298","0.002","16.298","0.002","30.945","0.006","90","","90","","90","","8220","2","100","2","100","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C80 H88 Cl6 N8 Ni3 O16 -","- C80 H88 Cl6 N8 Ni3 O16 -","- C320 H352 Cl24 N32 Ni12 O64 -","4","","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.7108","Synchrotron","","0.073","0.0651","","","0.1798","0.1867","","","","","","1.11","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214347","16.353","0.002","16.353","0.002","30.894","0.006","90","","90","","90","","8262","2","100","2","100","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C80 H88 Cl6 Co3 N8 O16 -","- C80 H88 Cl6 Co3 N8 O16 -","- C320 H352 Cl24 Co12 N32 O64 -","4","","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.7108","Synchrotron","","0.0876","0.0782","","","0.2101","0.2185","","","","","","1.07","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7217288","23.87","0.02","23.87","0.02","10.781","0.009","90","","90","","90","","6143","9","200","2","200","2","","","","","","","","3","I 41/a","-I 4ad","88","Aletpat Bisphenol","","","- C34 H54 O2 -","- C34 H54 O2 -","- C272 H432 O16 -","8","","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1811","0.1123","","","0.2622","0.3016","","","","","","1.089","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7221719","15.0627","0.0005","15.0627","0.0005","33.6307","0.0016","90","","90","","90","","7630.3","0.5","173","2","173","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C76 H76 Co4 N12 O20 -","- C76 H76 Co4 N12 O20 -","- C304 H304 Co16 N48 O80 -","4","","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.0652","0.0485","","","0.1378","0.15","","","","","","1.098","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221720","15.0145","0.0004","15.0145","0.0004","33.6543","0.0011","90","","90","","90","","7586.9","0.4","173","","173","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C76 H76 Co4 N12 O24 -","- C76 H76 Co4 N12 O24 -","- C304 H304 Co16 N48 O96 -","4","","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.077","0.0515","","","0.1477","0.1631","","","","","","1.061","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7223270","18.7966","0.0007","18.7966","0.0007","21.2715","0.0018","90","","90","","90","","7515.5","0.7","173","2","173","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C65 H108 N12 Ni2 O16 -","- C65 H108 N12 Ni2 O16 -","- C260 H432 N48 Ni8 O64 -","4","","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.0929","0.0502","","","0.1192","0.1401","","","","","","1.01","","","","has coordinates,has disorder","185168","2020-10-21","18:00:00",""
"7223459","15.5647","0.001","15.5647","0.001","38.904","0.005","90","","90","","90","","9424.9","1.5","296","2","296","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C52 H58 As8 N16 Ni2 O49 V14 -","- C52 H44 As8 N16 Ni2 O49 V14 -","- C208 H176 As32 N64 Ni8 O196 V56 -","4","","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1694","0.0809","","","0.222","0.2892","","","","","","1.02","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223586","16.0983","0.0005","16.0983","0.0005","54.7728","0.0015","90","","90","","90","","14194.7","0.7","173","2","173","2","","","","","","","","8","I 41/a","-I 4ad","88","","","","- C60 H74 Ag2 B2 F8 N8 O S8 -","- C60 H72 Ag2 B2 F8 N8 O S8 -","- C480 H576 Ag16 B16 F64 N64 O8 S64 -","8","","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1221","0.0796","","","0.2152","0.2376","","","","","","1.078","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223784","5.239","0.002","5.239","0.002","11.567","0.005","90","","90","","90","","317.5","0.2","296","2","296","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- Bi0.55 Mo O4 -","- Bi0.549 Mo O4 -","- Bi2.196 Mo4 O16 -","4","","","Zhang, Yang; Cong, Hengjiang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Li, Jing; Cao, Wenwu; Wang, Jiyang; Jiang, Huaidong","Effect of high bismuth deficiency on structure and oxide ion conductivity of a Bi0.55MoO4single crystal","CrystEngComm","2015","17","45","8746","","10.1039/C5CE01765C","","","0.71073","MoKα","","0.0195","0.018","","","0.0474","0.0486","","","","","","1.102","","","","has coordinates","173655","2020-10-21","18:00:00",""
"7223856","23.863","0.007","23.863","0.007","16.635","0.005","90","","90","","90","","9473","5","150","2","150","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C22 H27 F6 N3 -","- C22 H27 F6 N3 -","- C352 H432 F96 N48 -","16","","","Alonso-Moreno, Carlos; BRAVO, IVAN; Posadas, Inmaculada; Albaladejo, José; CARRILLO-HERMOSILLA, FERNANDO; Ceña, Valentín; Garzon, Andres; López-Solera, Isabel; Romero-Castillo, Laura","Phenyl-Guanidine Derivatives as Potential Therapeutic Agents for Glioblastoma Multiforme: Catalytic Syntheses, Cytotoxic Effects and DNA Affinity","RSC Adv.","2016","","","","","10.1039/C5RA17920C","","","0.71073","MoKα","","0.1337","0.0743","","","0.1653","0.1946","","","","","","1.031","","","","has coordinates,has disorder","174385","2020-10-21","18:00:00",""
"7224054","30.105","0.003","30.105","0.003","14.0549","0.0013","90","","90","","90","","12738","2","150","2","150","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C26.12 H72.5 Na4 Nb6 O35.12 Ru2 -","- C26.1244 H48 Na4 Nb6 O35.1244 Ru2 -","- C208.995 H384 Na32 Nb48 O280.995 Ru16 -","8","","","Abramov, Pavel A.; Vicent, Cristian; Kompankov, Nikolay B.; Laricheva, Yuliya A.; Sokolov, Maksim Nailyevich","Unique solubility of polyoxoniobate salts in methanol: coordination to cations and POM methylation","RSC Adv.","2016","","","","","10.1039/C5RA23918D","","x-ray","0.71073","MoKα","","0.054","0.0351","","","0.0971","0.1093","","","","","","1.051","","","","has coordinates","175271","2020-10-21","18:00:00",""
"7225804","35.1044","0.0007","35.1044","0.0007","11.7352","0.0004","90","","90","","90","","14461.5","0.6","293","2","293","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C40 H32 Cu4 N24 O40 Si W12 -","- C40 H32 Cu4 N24 O40 Si W12 -","- C320 H256 Cu32 N192 O320 Si8 W96 -","8","","","Chen, Yan-Mei; Yu, Ying-Hui; Zhang, Han-Zhong; Hou, Guang-Feng; Gao, Jin-Sheng; Yan, Peng-Fei","Ligand-induced isomerization: from 3D to 2D→3D POMOFs constructed from silicotungstate anions, Cu(i) and 1,n-di(4H-1,2,4-triazol-4-yl)benzene (n = 3, 4) ligands","CrystEngComm","2016","18","34","6389","","10.1039/C6CE01174H","","","0.71073","MoKα","","0.1001","0.0665","","","0.1414","0.1608","","","","","","1.003","","","","has coordinates","186354","2020-10-21","18:00:00",""
"7225820","26.284","0.003","26.284","0.003","12.9228","0.0015","90","","90","","90","","8927.7","1.8","150","2","150","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C62 H88 Cl4 Fe4 N16 O24 -","- C62 H88 Cl4 Fe4 N16 O24 -","- C248 H352 Cl16 Fe16 N64 O96 -","4","","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.0834","0.0607","","","0.1735","0.2001","","","","","","1.007","","","","has coordinates","186368","2020-10-21","18:00:00",""
"7225821","26.292","0.005","26.292","0.005","12.959","0.002","90","","90","","90","","8958","3","150","2","150","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C62 H88 Br4 Fe4 N16 O24 -","- C62 H88 Br4 Fe4 N16 O24 -","- C248 H352 Br16 Fe16 N64 O96 -","4","","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.1033","0.0577","","","0.1471","0.1761","","","","","","1.011","","","","has coordinates,has disorder","186368","2020-10-21","18:00:00",""
"7225986","29.353","0.0006","29.353","0.0006","16.1124","0.0004","90","","90","","90","","13882.4","0.5","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C83 H140 N8 Ni8 O59 -","- C83 H56 N8 Ni8 O59 -","- C332 H224 N32 Ni32 O236 -","4","","","Fondo, Matilde; Doejo, Jesús; García-Deibe, Ana M.; Sanmartín-Matalobos, Jesús; Vicente, Ramón","A Ni8metallacalix[4]arene and a Cu4molecular rhomboid: limiting the nuclearity of carboxysalen-like metal complexes","CrystEngComm","2016","18","35","6673","","10.1039/C6CE01384H","","","0.71073","MoKα","","0.172","0.094","","","0.2893","0.3578","","","","","","1.196","","","","has coordinates,has disorder","186345","2020-10-21","18:00:00",""
"7226748","18.0441","0.0008","18.0441","0.0008","8.3135","0.0007","90","","90","","90","","2706.8","0.3","100","2","100","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C24 H20 Dy N8 Na O8 -","- C24 H20 Dy N8 Na O8 -","- C96 H80 Dy4 N32 Na4 O32 -","4","","","Fernández, Belén; Oyarzabal, Itziar; Fischer-Fodor, Eva; Macavei, Sergiu; Sánchez, Ignacio; Seco, José M.; Gómez-Ruiz, Santiago; Rodríguez-Diéguez, Antonio","Multifunctional applications of a dysprosium-based metal‒organic chain with single-ion magnet behaviour","CrystEngComm","2016","18","45","8718","","10.1039/C6CE01810F","","","0.71069","MoKα","","0.0719","0.0459","","","0.1205","0.1508","","","","","","1.231","","","","has coordinates","190083","2020-10-21","18:00:00",""
"7227201","11.645","0.005","11.645","0.005","52.7","0.005","90","0.005","90","0.005","90","0.005","7146","4","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C29 H16 F12 Mn N2 O4 -","- C29 H16 F12 Mn N2 O4 -","- C232 H128 F96 Mn8 N16 O32 -","8","","","Mocanu, Teodora; Pop, Lidia; Hădade, Niculina D.; Shova, Sergiu; Grosu, Ion; Andruh, Marius","Coordination polymers constructed from tetrahedral-shaped adamantane tectons","CrystEngComm","2017","19","1","27","","10.1039/C6CE02146H","","","0.71069","MoKα","","0.1674","0.0604","","","0.1342","0.1807","","","","","","0.885","","","","has coordinates","191576","2020-10-21","18:00:00",""
"7227277","15.5031","0.0004","15.5031","0.0004","12.0934","0.0004","90","","90","","90","","2906.6","0.14","293","2","293","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C12 H12 N22 O12 Zn5 -","- C12 H12 N22 O12 Zn5 -","- C48 H48 N88 O48 Zn20 -","4","","","Ye, Yingxiang; Wu, Xiuzhen; Yao, Zizhu; Wu, Ling; Cai, Zetao; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Metal‒organic frameworks with a large breathing effect to host hydroxyl compounds for high anhydrous proton conductivity over a wide temperature range from subzero to 125 °C","J. Mater. Chem. A","2016","4","11","4062","4070","10.1039/c5ta10765b","","","1.54184","CuKα","","0.0402","0.032","","","0.0781","0.0847","","","","","","1.04","","","","has coordinates,has disorder","189226","2020-10-21","18:00:00",""
"7228497","31.3154","0.0005","31.3154","0.0005","14.3835","0.0002","90","","90","","90","","14105.2","0.4","100","2","100","2","","","","","","","","6","I 41/a","-I 4ad","88","cucurbit[6]uril/Gly-Gly exclusion complex","","","- C22 H26 Ca0.25 Cl0.5 N14 O18.38 -","- C22 H26 Ca0.25 Cl0.5 N14 O18.3868 -","- C352 H416 Ca4 Cl8 N224 O294.189 -","16","","","Danylyuk, Oksana","Exploring cucurbit[6]uril-peptide interactions in the solid state: crystal structure of cucurbit[6]uril complexes with glycyl-containing dipeptides","CrystEngComm","2017","","","","","10.1039/C7CE00881C","","","0.71073","MoKα","","0.0906","0.0769","","","0.2081","0.2234","","","","","","1.043","","","","has coordinates,has disorder","197874","2020-10-21","18:00:00",""
"7230022","36.9032","0.0008","36.9032","0.0008","8.9609","0.0004","90","","90","","90","","12203.4","0.7","153","2","153","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C27 H12 O13 Ru3 -","- C27 H12 O13 Ru3 -","- C432 H192 O208 Ru48 -","16","","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0198","0.0187","","","0.0456","0.0462","","","","","","1.113","","","","has coordinates","205629","2020-10-21","18:00:00",""
"7230919","23.7839","0.0006","23.7839","0.0006","36.666","0.002","90","","90","","90","","20741","1.4","296","2","296","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C2.22 H2.09 N0.25 Ni0.25 O0.98 -","- C2.21538 H2.09231 N0.246154 Ni0.246154 O0.984615 -","- C576 H544 N64 Ni64 O256 -","260","","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.1139","0.0522","","","0.1238","0.1357","","","","","","0.982","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7231499","5.1932","0.0008","5.1932","0.0008","11.426","0.004","90","","90","","90","","308.15","0.13","293","2","293","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- Gd2.28 Li1.16 Mo4 O16 -","- Gd2.288 Li1.144 Mo4 O16 -","- Gd2.288 Li1.144 Mo4 O16 -","1","","","Sun, Shijia; Qi, Wei; Chen, Weidong; Lou, Fei; Zhong, Degao; Hu, Chen; Zhang, Lizhen; Lin, Zhoubin; Teng, Bing","Li2Gd4(MoO4)7 crystal preparation and spectral properties applying to 2.0 μm lasers","CrystEngComm","2018","","","","","10.1039/C8CE01192C","","","0.71073","MoKα","","0.0452","0.0438","","","0.1433","0.1475","","","","","","1.172","","","","has coordinates","210546","2020-10-21","18:00:00",""
"7231551","13.045","0.0004","13.045","0.0004","40.2669","0.0012","90","","90","","90","","6852.3","0.4","198","2","198","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C84 H80 O8 -","- C84 H80 O8 -","- C336 H320 O32 -","4","","","Muravev, Anton A.; Solovieva, Svetlana E.; Galieva, Farida B.; Bazanova, Olga B.; Rizvanov, Ildar Kh.; Ivshin, Kamil A.; Kataeva, Olga N.; Matthews, Susan E.; Antipin, Igor S.","Calixarene alpha-ketoacetylenes: versatile platforms for reaction with hydrazine nucleophile","RSC Advances","2018","8","57","32765","","10.1039/C8RA06349D","","","1.54178","CuKα","","0.0479","0.0462","","","0.1272","0.1288","","","","","","1.05","","","","has coordinates","211108","2020-10-21","18:00:00",""
"9000999","11.774","","11.774","","11.636","","90","","90","","90","","1613.06","","","","","","","","","","","","","3","I 41/a","","","","","Garnet","- Mn4 O12 Si4 -","- Mn4 O12 Si4 -","- Mn32 O96 Si32 -","8","","","Fujino, K.; Momoi, H.; Sawamoto, H.; Kumazawa, M.","Crystal structure and chemistry of MnSiO3 tetragonal garnet","American Mineralogist","1986","71","","781","785","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001611","11.5816","","11.5816","","11.5288","","90","","90","","90","","1546.4","","","","","","","","","","","","","4","I 41/a","","","","","Majorite","- Ca0.489 Mg3.511 O12 Si4 -","- Ca0.489 Mg3.511 O12 Si4 -","- Ca3.912 Mg28.088 O96 Si32 -","8","","","Hazen, R. M.; Downs, R. T.; Finger, L. W.; Conrad, P. G.; Gasparik, T.","Crystal chemistry of Ca-bearing majorite","American Mineralogist","1994","79","","581","584","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:32",""
"9002025","11.512","","11.512","","11.515","","90","","90","","90","","1526.04","","","","","","","","","","","","","5","I 41/a","","","","","Majorite","- Al0.36 Cr0.28 Mg3.68 O12 Si4.68 -","- Al0.36 Cr0.28 Mg3.68 O12 Si4.68 -","- Al2.88 Cr2.24 Mg29.44 O96 Si37.44 -","8","","","Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.; Ito, E.","Structure refinement of birefringent Cr-bearing majorite Mg3(Mg.34Si.34Al.18Cr.14)2Si3O12","American Mineralogist","1999","84","","199","202","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002384","12.3098","","12.3098","","12.3277","","90","","90","","90","","1868.03","","","","","","","","","","","","","4","I 41/a","","","","","","- Ca3 Ge3 Mn2 O12 -","- Ca3 Ge3 Mn2 O12 -","- Ca24 Ge24 Mn16 O96 -","8","","","Heinemann, S.; Miletich, R.","Structure and twinning of tetragonal Ca3Mn2Ge3O12 garnet","American Mineralogist","2000","85","","993","1000","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9003675","12.535","","12.535","","12.37","","90","","90","","90","","1943.65","","","","","","","","","","synthesized at 3 GPa and 1000 C","synthesized at 3 GPa","","3","I 41/a","","","","","","- Ca Ge O3 -","- Ca Ge O3 -","- Ca32 Ge32 O96 -","32","","","Nakatsuka, A.; Chaya, H.; Yoshiasa, A.","Crystal structure of single-crystal CaGeO3 tetragonal garnet synthesized at 3 GPa and 1000 C Note: alternate origin, resulting in coordinates similar to some majorite refinements","American Mineralogist","2005","90","","732","736","10.2138/am.2005.1763","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9010029","11.501","","11.501","","11.48","","90","","90","","90","","1518.49","","","","","","","","","","synthesized at 17 GPa and 1800 C","synthesized at 17 GPa","","3","I 41/a","","","","","","- Mg4 O12 Si4 -","- Mg4 O12 Si4 -","- Mg32 O96 Si32 -","8","","","Angel, R. J.; Finger, L. W.; Hazen, R. M.; Kanzaki, M.; Weidner, D. J.; Liebermann, R. C.; Veblen, D. R.","Structure and twinning of single-crystal MgSiO3 garnet synthesized at 17 GPa and 1800 C Note: majoritic or majorite-like","American Mineralogist","1989","74","","509","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010874","12.535","","12.535","","12.37","","90","","90","","90","","1943.65","","","","","","","","","","","","","3","I 41/a","","","","","","- Ca Ge O3 -","- Ca Ge O3 -","- Ca32 Ge32 O96 -","32","","","Vinograd, V. L.; Winkler, B.; Wilson, D. J.; Putnis, A.; Gale, J. D.","Monte Carlo simulation of mixing in Ca3Fe2Ge3O12-Ca4Ge4O12 garnets and implications for the thermodynamic stability of pyrope-majorite solid solution Sample: XRD","Physics and Chemistry of Minerals","2006","33","","533","544","10.1007/s00269-006-0099-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010875","12.539","","12.539","","12.34","","90","","90","","90","","1940.18","","","","","","","","","","","","","3","I 41/a","","","","","","- Ca Ge O3 -","- Ca Ge O3 -","- Ca32 Ge32 O96 -","32","","","Vinograd, V. L.; Winkler, B.; Wilson, D. J.; Putnis, A.; Gale, J. D.","Monte Carlo simulation of mixing in Ca3Fe2Ge3O12-Ca4Ge4O12 garnets and implications for the thermodynamic stability of pyrope-majorite solid solution Sample: SLEC","Physics and Chemistry of Minerals","2006","33","","533","544","10.1007/s00269-006-0099-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010876","12.679","","12.679","","12.527","","90","","90","","90","","2013.8","","","","","","","","","","","","","3","I 41/a","","","","","","- Ca Ge O3 -","- Ca Ge O3 -","- Ca32 Ge32 O96 -","32","","","Vinograd, V. L.; Winkler, B.; Wilson, D. J.; Putnis, A.; Gale, J. D.","Monte Carlo simulation of mixing in Ca3Fe2Ge3O12-Ca4Ge4O12 garnets and implications for the thermodynamic stability of pyrope-majorite solid solution Sample: DFT","Physics and Chemistry of Minerals","2006","33","","533","544","10.1007/s00269-006-0099-5","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011553","12.406","","12.406","","12.256","","90","","90","","90","","1886.31","","","","","","","","","","","","","3","I 41/a","","","","","","- Cd Ge O3 -","- Cd Ge O3 -","- Cd32 Ge32 O96 -","32","","","Prewitt, C. T.; Sleight, A. W.","Garnet-like structures of high-pressure cadmium germanate and calcium germanate Note: changed O2(y) to -.0500 to match reported bond distances","Science","1969","163","","386","387","10.1126/science.163.3865.386","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:44",""