# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T03:10:38+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 41/a c d' 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
"1518972","32.6712","0.0005","32.6712","0.0005","76.823","0.002","90","","90","","90","","82001","3","100","2","100","2","","","","","","","","6","I 41/a c d","-I 4bd 2c","142","","","","- C252 H312 Ag37 F18 O24 S28 -","- C252 H312 Ag37 F18 O24 S28 -","- C2016 H2496 Ag296 F144 O192 S224 -","8","","","Li, Xiao-Yu; Su, Hai-Feng; Yu, Kai; Tan, Yuan-Zhi; Wang, Xing-Po; Zhao, Ya-Qin; Sun, Di; Zheng, Lan-Sun","A platonic solid templating Archimedean solid: an unprecedented nanometre-sized Ag37 cluster.","Nanoscale","2015","7","18","8284","8288","10.1039/c5nr01222h","","","1.54178","CuKα","","0.2085","0.138","","","0.3547","0.4122","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519704","19.1314","0.0003","19.1314","0.0003","20.6667","0.0003","90","","90","","90","","7564.2","0.2","293","2","293","2","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","","","","- C14 H16 Mn N8 O4 -","- C14 H16 Mn N8 O4 -","- C224 H256 Mn16 N128 O64 -","16","","","Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong","A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole)","RSC Advances","2015","5","60","48596","48606","10.1039/C5RA06273J","","","0.71073","MoKα","","0.0457","0.0397","","","0.1126","0.118","","","","","","1.079","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1545085","13.101","0.002","13.101","0.002","12.72","0.005","90","","90","","90","","2183.2","1","","","","","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","Li6.5La3Zr1.5Ta0.5O12 tetragonal phase","","","- La3 Li6.5 O12 Ta0.5 Zr1.5 -","- La3 Li7 O12 Zr2 -","- La24 Li56 O96 Zr16 -","8","","","Hamao, N.; Kataoka, K.; Kijima, N.; Akimoto, J.","Synthesis, crystal structure and conductive properties of garnet-type lithium ion conductor Al-free Li7-xLa3Zr2-xTaxO12 (0<=x<=0.6)","Journal of the Ceramic Society of Japan","2016","124","","678","683","","","","","","","","","","","","","","","","","","","","","","has coordinates","190737","2020-10-21","18:00:00",""
"1545086","13.1023","0.0006","13.1023","0.0006","12.6896","0.0008","90","","90","","90","","2178.4","0.2","","","","","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","Li6.7La3Zr1.7Ta0.3O12 tetragonal phase","","","- La3 Li6.7 O12 Ta0.3 Zr1.7 -","- La3 Li7 O12 Zr2 -","- La24 Li56 O96 Zr16 -","8","","","Hamao, N.; Kataoka, K.; Kijima, N.; Akimoto, J.","Synthesis, crystal structure and conductive properties of garnet-type lithium ion conductor Al-free Li7-xLa3Zr2-xTaxO12 (0<=x<=0.6)","Journal of the Ceramic Society of Japan","2016","124","","678","683","","","","","","","","","","","","","","","","","","","","","","has coordinates","190738","2020-10-21","18:00:00",""
"1549999","27.4698","0.0012","27.4698","0.0012","39.881","0.003","90","","90","","90","","30094","3","300","2","300.27","","","","","","","","","6","I 41/a c d","-I 4bd 2c","142","","","","- K16 Mn40 Mo96 Na8 O560 P68 -","- K16 Mn40 Mo96 Na8 O560 P68 -","- K32 Mn80 Mo192 Na16 O1120 P136 -","2","","","Su, Zhong-Min; Xie, Shuai-Lei; Liu, Jiang; Dong, Long-Zhang; Li, Shun-Li; Lan, Ya-Qian","Hetero-metallic Active Sites Coupled with Strong Reductive Polyoxometalate for Selectively Photocatalytic CO2-to-CH4 Conversion in Water","Chemical Science","2018","","","","","10.1039/C8SC03471K","","","0.71073","MoKα","","0.0747","0.0479","","","0.1149","0.136","","","","","","1.089","","","","has coordinates","211284","2020-10-21","18:00:00",""
"1550000","26.9679","0.0005","26.9679","0.0005","41.154","0.0018","90","","90","","90","","29930","1.5","293","2","293","","","","","","","","","6","I 41/a c d","-I 4bd 2c","142","","","","- Co10 Mn30 Mo96 Na24 O576 P68 -","- Co10 Mn30 Mo96 Na24 O576 P68 -","- Co20 Mn60 Mo192 Na48 O1152 P136 -","2","","","Su, Zhong-Min; Xie, Shuai-Lei; Liu, Jiang; Dong, Long-Zhang; Li, Shun-Li; Lan, Ya-Qian","Hetero-metallic Active Sites Coupled with Strong Reductive Polyoxometalate for Selectively Photocatalytic CO2-to-CH4 Conversion in Water","Chemical Science","2018","","","","","10.1039/C8SC03471K","","","0.71073","MoKα","","0.04","0.0316","","","0.0736","0.0768","","","","","","1.041","","","","has coordinates","211284","2020-10-21","18:00:00",""
"2000539","15.783","0.003","15.783","0.003","16.965","0.008","90","","90","","90","","4226","2","","","","","","","","","","","","5","I 41/a c d","-I 4bd 2c","","","","","- C20 H20 Cl2 N4 Ni -","- C20 H20 Cl2 N4 Ni -","- C160 H160 Cl16 N32 Ni8 -","8","","HH0615","Bachman, R. E.; Whitmire, K. H.; Mandal, S.; Bharadwaj, P. K.","Dichlorotetrakis(pyridine)nickel(II)","Acta Crystallographica Section C","1992","48","10","1836","1837","10.1107/S0108270192001872","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010053","15.701","0.002","15.701","0.002","16.987","0.002","90","","90","","90","","4187.7","0.9","293","","","","","","","","","","","5","I 41/a c d","-I 4bd 2c","","","","","- C20 H20 Cl2 N4 Ru -","- C20 H20 Cl2 N4 Ru -","- C160 H160 Cl16 N32 Ru8 -","8","","MU1092","Wong, W.-T.; Lau, T.-C.","<i>trans</i>-Dichlorotetrapyridineruthenium(II)","Acta Crystallographica Section C","1994","50","9","1406","1407","10.1107/S0108270194002088","","","0.71073","MoKα","","","0.029","","","0.036","","","","","1.119","1.119","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010376","15.664","0.002","15.664","0.002","16.97","0.002","90","","90","","90","","4163.8","0.9","293","","","","","","","","","","","5","I 41/a c d","I -4 2aw -bw","","","","","- C20 H20 Cl2 N4 Ru -","- C20 H20 Cl4 N4 Ru2 -","- C160 H160 Cl32 N32 Ru16 -","8","","HU1072","Elsegood, M.R.J.; Tocher, D.A.","<i>trans</i>-Dichlorotetrakis(pyridine-<i>N</i>)ruthenium(II)","Acta Crystallographica Section C","1995","51","1","40","42","10.1107/S0108270194006451","","","0.71073","MoKα","","","0.0453","","","0.032","","","","","2.2258","2.2258","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101258","16.114","0.004","16.114","0.004","27.777","0.007","90","","90","","90","","7213","3","","","","","","","","","","","","6","I 41/a c d","-I 4bd 2c","","","","","- C2 H0.67 Cl21.34 I N4 P5 -","- C2 Cl22 I N4 P5 -","- C16 Cl176 I8 N32 P40 -","8","","SE0139","Belaj, F.","Structure and thermal motion of tetrakis(trichlorophosphazeno)phosphonium dichloroiodate(I), [P(NPCl~3~)~4~]^+^[ICl~2~]^{‒^}.2[(CCl~4~)~<i>x~</i>(CHCl~3~)~1{-~<i>x</i>}], <i>x</i> = 0.67 (2)","Acta Crystallographica Section B","1995","51","1","65","71","10.1107/S0108768194007019","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2108356","8.6339","0.0002","8.6339","0.0002","21.8874","0.0007","90","","90","","90","","1631.58","0.07","296","2","296","2","","","","","","","","3","I 41/a c d","-I 4bd 2c","142","","","","- Al72 Au2.5 Ir29.5 -","- Al72 Au2.5008 Ir29.52 -","- Al72 Au2.5008 Ir29.52 -","1","","","Kadok, Joris; de Weerd, Marie-Cécile; Boulet, Pascal; Fournée, Vincent; Ledieu, Julian","A new ternary compound with the BGa~8~Ir~4~ structure type in the Al‒Au‒Ir system","Acta Crystallographica Section B","2019","75","1","49","52","10.1107/S2052520618016712","","","0.71073","MoKα","","0.025","0.0165","","","0.0388","0.0432","","","","","","1.127","","","","has coordinates,has Fobs","213456","2020-10-21","18:00:00",""
"4335755","36.8912","0.0007","36.8912","0.0007","24.7083","0.0017","90","","90","","90","","33627","2","123","2","123","2","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","","","","- C310 H53 Fe5 In N4 -","- C310 H53 Fe5 In N4 -","- C2480 H424 Fe40 In8 N32 -","8","","","Samantha J. Dammer; Pavlo V. Solntsev; Jared R. Sabin; Victor N. Nemykin","Synthesis, Characterization, and Electron-Transfer Processes in Indium Ferrocenyl-Containing Porphyrins and Their Fullerene Adducts","Inorganic Chemistry","2013","52","","9496","9510","10.1021/ic401163y","","","0.71075","MoKα","","0.1197","0.1134","","","0.3777","0.3848","","","","","","1.905","","","","has coordinates,has disorder","179460","2020-10-21","18:00:00",""
"4345862","21.71","0.0004","21.71","0.0004","30.5654","0.0012","90","","90","","90","","14406.2","0.7","122.15","0.1","122.15","0.1","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","","","","- C48 H68 N8 O39 Tb4 -","- C48 H68 N8 O39 Tb4 -","- C384 H544 N64 O312 Tb32 -","8","","","Dong, Jie; Xu, Hang; Hou, Sheng-Li; Wu, Zhi-Lei; Zhao, Bin","Metal‒Organic Frameworks with Tb4 Clusters as Nodes: Luminescent Detection of Chromium(VI) and Chemical Fixation of CO2","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00323","","","0.7107","MoKα","","0.0478","0.0366","","","0.0926","0.1001","","","","","","1.088","","","","has coordinates","196559","2020-10-21","18:00:00",""
"6000402","14.935","","14.935","","12.907","","90","","90","","90","","2878.96","","","","","","","","","","","","","3","I 41/a c d","","","","","","- Cs2 Pd Se8 -","","","","","","Li, J.; Chen, Z.; Wang, R. J.; Lu, J. Y.","Cs2PdSe8: a unique open framework structure with double helical assemblies of [Pd(Se-4)(2)](2-)","Journal of Solid State Chemistry","1998","140","","149","153","10.1006/jssc.1998.7950","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7031318","17.618","0.005","17.618","0.005","47.904","0.005","90","0.005","90","0.005","90","0.005","14869","6","173","2","173","2","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","","","","- C35 H51 N4 O2 Y -","- C35 H51 N4 O2 Y -","- C560 H816 N64 O32 Y16 -","16","","","Arnold, Polly L.; Cadenbach, Thomas; Marr, Isobel H.; Fyfe, Andrew A.; Bell, Nicola L.; Bellabarba, Ronan; Tooze, Robert P.; Love, Jason B.","Homo- and heteroleptic alkoxycarbene f-element complexes and their reactivity towards acidic N-H and C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14346","14358","10.1039/c4dt01442a","","","0.71073","MoKα","","0.1093","0.058","","","0.1411","0.1624","","","","","","1.055","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7041326","36.5743","0.0005","36.5743","0.0005","52.9725","0.0016","90","","90","","90","","70860","3","120","2","120","2","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","","","","- C73 H66 Cl6 O27 Zn3 -","- C73 H53 Cl6 O27 Zn3 -","- C2336 H1696 Cl192 O864 Zn96 -","32","","","Zavakhina, Marina S.; Yushina, Irina V.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.; Argent, Stephen P.; Blake, Alexander J.; Schröder, Martin","Halochromic coordination polymers based on a triarylmethane dye for reversible detection of acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","465","470","10.1039/c6dt03969c","","x-ray","1.54184","CuKα","","0.2346","0.2093","","","0.4662","0.489","","","","","","1.782","","","","has coordinates","191592","2020-10-21","18:00:00",""
"7041330","33.363","0.008","33.363","0.008","39.701","0.013","90","","90","","90","","44191","2","298","2","298","2","","","","","","","","7","I 41/a c d","-I 4bd 2c","142","complex1","","","- C176 H144 Cl12 F16 O34 Se16 Zr12 -","- C176 H144 Cl12 F16 O34 Se16 Zr12 -","- C1408 H1152 Cl96 F128 O272 Se128 Zr96 -","8","","","Yao, Nian-Tao; Zhang, Ru-Fen; Zhang, Shao-Liang; Li, Qian-Li; Ma, Chun-Lin","A novel octa-nuclear 32-membered zirconocene macrocycle based on the aromatic selenite.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","524","528","10.1039/c6dt04061f","","","0.71073","MoKα","","0.1439","0.0547","","","0.1007","0.109","","","","","","1.043","","","","has coordinates","191586","2020-10-21","18:00:00",""
"7042961","12.2856","0.0007","12.2856","0.0007","40.49","0.004","90","","90","","90","","6111.4","0.8","130","","130","","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","","","","- C6 H12 Cl2 N10 O8 -","- C6 H12 Cl2 N10 O8 -","- C96 H192 Cl32 N160 O128 -","16","","","Ma, Qing; Chen, Ya; Liao, Longyu; Lu, Huanchang; Fan, Guijuan; Huang, Jinglun","Energetic π-conjugated vinyl bridged triazoles: a thermally stable and insensitive heterocyclic cation","Dalton Trans.","2017","","","","","10.1039/C7DT01261F","","","0.71073","MoKα","","0.0473","0.0338","","","0.084","0.0923","","","","","","1.053","","","","has coordinates","196724","2020-10-21","18:00:00",""
"7043457","17.5829","0.0008","17.5829","0.0008","27.888","0.003","90","","90","","90","","8621.8","1.1","150","2","150","2","","","","","","","","6","I 41/a c d","-I 4bd 2c","142","","","","- C40 H48 I2 N6 O8 Zn2 -","- C40 H48 I2 N6 O8 Zn2 -","- C320 H384 I16 N48 O64 Zn16 -","8","","","Naskar, Barnali; Modak, Ritwik; Maiti, Dilip K.; Drew, Michael G.B; Bauza, Antonio; Frontera, Antonio; Das Mukhopadhyay, Chitrangada; Mishra, Snehasis; Das Saha, Krishna; Goswami, Sanchita","A Schiff base platform: structures, sensing of Zn(II), PPi in aqueous medium and anticancer activity","Dalton Trans.","2017","","","","","10.1039/C7DT01932G","","","0.71073","MoKα","","0.0896","0.0514","","","0.0905","0.1008","","","","","","1.059","","","","has coordinates","198189","2020-10-21","18:00:00",""
"7043459","17.3167","0.0007","17.3167","0.0007","27.785","0.0018","90","","90","","90","","8331.8","0.7","150","2","150","2","","","","","","","","6","I 41/a c d","-I 4bd 2c","142","","","","- C40 H48 Br2 N6 O8 Zn2 -","- C40 H48 Br2 N6 O8 Zn2 -","- C320 H384 Br16 N48 O64 Zn16 -","8","","","Naskar, Barnali; Modak, Ritwik; Maiti, Dilip K.; Drew, Michael G.B; Bauza, Antonio; Frontera, Antonio; Das Mukhopadhyay, Chitrangada; Mishra, Snehasis; Das Saha, Krishna; Goswami, Sanchita","A Schiff base platform: structures, sensing of Zn(II), PPi in aqueous medium and anticancer activity","Dalton Trans.","2017","","","","","10.1039/C7DT01932G","","","0.71073","MoKα","","0.1138","0.0665","","","0.0973","0.1079","","","","","","1.139","","","","has coordinates","198189","2020-10-21","18:00:00",""
"7044800","17.0504","0.0014","17.0504","0.0014","22.4927","0.0019","90","","90","","90","","6539","0.9","200","2","200","2","","","","","","","","4","I 41/a c d","-I 4bd 2c","142","","","","- Bi11 Ca13.25 La0.75 Mn -","- Bi11 Ca13.248 La0.752 Mn -","- Bi88 Ca105.984 La6.016 Mn8 -","8","","","Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen","Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8)","Dalton Transactions","2017","","","","","10.1039/C7DT03715E","","","0.71073","MoKα","","0.0437","0.0332","","","0.0727","0.0761","","","","","","1.071","","","","has coordinates","203325","2020-10-21","18:00:00",""
"7044801","17.0487","0.0007","17.0487","","22.5218","0.0009","90","","90","","90","","6546.1","0.4","200","2","200","2","","","","","","","","4","I 41/a c d","-I 4bd 2c","142","","","","- Bi11 Ca13.18 Ce0.82 Mn -","- Bi11 Ca13.176 Ce0.824 Mn -","- Bi88 Ca105.408 Ce6.592 Mn8 -","8","","","Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen","Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8)","Dalton Transactions","2017","","","","","10.1039/C7DT03715E","","","0.71073","MoKα","","0.037","0.03","","","0.064","0.0654","","","","","","1.004","","","","has coordinates","203325","2020-10-21","18:00:00",""
"7044802","17.0288","0.0019","17.0288","0.0019","22.497","0.002","90","","90","","90","","6523.7","1.2","200","2","200","2","","","","","","","","4","I 41/a c d","-I 4bd 2c","142","","","","- Bi11 Ca13.34 Mn Pr0.66 -","- Bi11 Ca13.336 Mn Pr0.664 -","- Bi88 Ca106.688 Mn8 Pr5.312 -","8","","","Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen","Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8)","Dalton Transactions","2017","","","","","10.1039/C7DT03715E","","","0.71073","MoKα","","0.0477","0.0367","","","0.0807","0.0856","","","","","","1.024","","","","has coordinates","203325","2020-10-21","18:00:00",""
"7044803","16.9984","0.0004","16.9984","0.0004","22.492","0.0006","90","","90","","90","","6499","0.3","200","2","200","2","","","","","","","","4","I 41/a c d","-I 4bd 2c","142","","","","- Bi11 Ca13.38 Gd0.62 Mn -","- Bi11 Ca13.372 Gd0.628 Mn -","- Bi88 Ca106.976 Gd5.024 Mn8 -","8","","","Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen","Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8)","Dalton Transactions","2017","","","","","10.1039/C7DT03715E","","","0.71073","MoKα","","0.0463","0.037","","","0.0904","0.0952","","","","","","1.031","","","","has coordinates","203325","2020-10-21","18:00:00",""
"7044804","17.0213","0.0013","17.0213","0.0013","22.5111","0.0016","90","","90","","90","","6522","0.8","200","2","200","2","","","","","","","","4","I 41/a c d","-I 4bd 2c","142","","","","- Bi11 Ca13.38 Mn Sm0.62 -","- Bi11 Ca13.376 Mn Sm0.624 -","- Bi88 Ca107.008 Mn8 Sm4.992 -","8","","","Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen","Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8)","Dalton Transactions","2017","","","","","10.1039/C7DT03715E","","","0.71073","MoKα","","0.0527","0.043","","","0.0989","0.1049","","","","","","1.062","","","","has coordinates","203325","2020-10-21","18:00:00",""
"7044805","17.0378","0.0011","17.0378","0.0011","22.54","0.0015","90","","90","","90","","6543.1","0.7","200","2","200","2","","","","","","","","4","I 41/a c d","-I 4bd 2c","142","","","","- Bi11 Ca13.36 Mn Nd0.64 -","- Bi11 Ca13.36 Mn Nd0.64 -","- Bi88 Ca106.88 Mn8 Nd5.12 -","8","","","Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen","Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8)","Dalton Transactions","2017","","","","","10.1039/C7DT03715E","","","0.71073","MoKα","","0.0531","0.0407","","","0.0903","0.0963","","","","","","1.016","","","","has coordinates","203325","2020-10-21","18:00:00",""
"7044806","17.0353","0.0013","17.0353","0.0013","22.4637","0.0017","90","","90","","90","","6519","0.9","200","2","200","2","","","","","","","","4","I 41/a c d","-I 4bd 2c","142","","","","- Bi11 Ca13.82 Er0.17 Mn -","- Bi11 Ca13.83 Er0.17 Mn -","- Bi88 Ca110.64 Er1.36 Mn8 -","8","","","Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen","Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8)","Dalton Transactions","2017","","","","","10.1039/C7DT03715E","","","0.71073","MoKα","","0.049","0.0388","","","0.0946","0.1014","","","","","","0.979","","","","has coordinates","203325","2020-10-21","18:00:00",""
"7044807","16.9971","0.0012","16.9971","0.0012","22.5175","0.0016","90","","90","","90","","6505.3","0.8","200","2","200","2","","","","","","","","4","I 41/a c d","-I 4bd 2c","142","","","","- Bi11 Ca13.31 Dy0.69 Mn -","- Bi11 Ca13.312 Dy0.688 Mn -","- Bi88 Ca106.496 Dy5.504 Mn8 -","8","","","Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen","Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8)","Dalton Transactions","2017","","","","","10.1039/C7DT03715E","","","0.71073","MoKα","","0.0473","0.0342","","","0.0781","0.0829","","","","","","1.064","","","","has coordinates","203325","2020-10-21","18:00:00",""
"7044808","17.0029","0.0012","17.0029","0.0012","22.5146","0.0017","90","","90","","90","","6508.9","0.8","200","2","200","2","","","","","","","","4","I 41/a c d","-I 4bd 2c","142","","","","- Bi11 Ca13.36 Ho0.64 Mn -","- Bi11 Ca13.368 Ho0.632 Mn -","- Bi88 Ca106.944 Ho5.056 Mn8 -","8","","","Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen","Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8)","Dalton Transactions","2017","","","","","10.1039/C7DT03715E","","","0.71073","MoKα","","0.0457","0.0328","","","0.0657","0.0694","","","","","","1.077","","","","has coordinates","203325","2020-10-21","18:00:00",""
"7044809","17.0087","0.0013","17.0087","0.0013","22.5276","0.0017","90","","90","","90","","6517.1","0.9","200","2","200","2","","","","","","","","4","I 41/a c d","-I 4bd 2c","142","","","","- Bi11 Ca13.3 Mn Tb0.7 -","- Bi11 Ca13.304 Mn Tb0.696 -","- Bi88 Ca106.432 Mn8 Tb5.568 -","8","","","Ovchinnikov, Alexander; Prakash, Jai; Bobev, Svilen","Crystal chemistry and magnetic properties of the solid solutions Ca14−xRExMnBi11 (RE = La‒Nd, Sm, and Gd‒Ho; x ≈ 0.6‒0.8)","Dalton Transactions","2017","","","","","10.1039/C7DT03715E","","","0.71073","MoKα","","0.0553","0.0446","","","0.0981","0.1035","","","","","","1.048","","","","has coordinates","203325","2020-10-21","18:00:00",""
"7044860","17.588","0.002","17.588","0.002","47.567","0.012","90","","90","","90","","14714","4","293","2","293","2","","","","","","","","8","I 41/a c d","-I 4bd 2c","142","","","","- C12 H12 Cu8 N18 Nb3 O56.5 P W9 -","- C12 H12 Cu8 N18 Nb3 O56.5 P W9 -","- C96 H96 Cu64 N144 Nb24 O452 P8 W72 -","8","","","Weng, Zhewei; Ren, Yuanhang; Gu, Min; Yue, Bin; He, Heyong","Two mixed-addenda Nb/W polyoxometalates-based hybrid compounds containing multicopper units: synthesis, structures, electrochemical and magnetic properties","Dalton Transactions","2017","","","","","10.1039/C7DT03968A","","","0.71073","MoKα","","0.0752","0.0521","","","0.1225","0.1363","","","","","","1.094","","","","has coordinates","203581","2020-10-21","18:00:00",""
"7044861","17.5009","0.0008","17.5009","0.0008","47.384","0.004","90","","90","","90","","14512.8","1.5","293","2","293","2","","","","","","","","8","I 41/a c d","-I 4bd 2c","142","","","","- C12.8 H14.4 Cu6.4 N19.2 Nb2.4 O41.6 P0.8 W7.2 -","- C12.8 H14.4 Cu6.4 N19.2 Nb2.4 O41.6 P0.8 W7.2 -","- C128 H144 Cu64 N192 Nb24 O416 P8 W72 -","10","","","Weng, Zhewei; Ren, Yuanhang; Gu, Min; Yue, Bin; He, Heyong","Two mixed-addenda Nb/W polyoxometalates-based hybrid compounds containing multicopper units: synthesis, structures, electrochemical and magnetic properties","Dalton Transactions","2017","","","","","10.1039/C7DT03968A","","","0.71073","MoKα","","0.0872","0.0668","","","0.1634","0.1706","","","","","","1.089","","","","has coordinates,has disorder","203581","2020-10-21","18:00:00",""
"7046542","16.899","0.003","16.899","0.003","32.661","0.009","90","","90","","90","","9327","3","277","2","277","2","","","","","","","","7","I 41/a c d","-I 4bd 2c","142","","","","- C32 H44 Br4 Cl4 N4 Ni4 O8 -","- C32 H44 Br4 Cl4 N4 Ni4 O8 -","- C256 H352 Br32 Cl32 N32 Ni32 O64 -","8","","","Hao, Zhi-Min; Chao, Meng-Yao; Liu, Yan; Song, Ying-Lin; Yang, Junyi; Ding, lifeng; Zhang, Wen-Hua; Lang, Jian-Ping","Evaluating the component contribution to the nonlinear optical performances using stable [Ni4O4] cuboidal clusters as models","Dalton Transactions","2018","","","","","10.1039/C8DT02080A","","","0.71073","MoKα","","0.0962","0.0808","","","0.2849","0.3057","","","","","","1.154","","","","has coordinates","208117","2020-10-21","18:00:00",""
"7047349","20.3213","0.0011","20.3213","0.0011","12.4045","0.0008","90","","90","","90","","5122.5","0.5","100","2","100","2","","","","","","","","6","I 41/a c d","-I 4bd 2c","142","","","","- C16 H6 Co2 F12 N4 O2 -","- C16 H6 Co2 F12 N4 O2 -","- C128 H48 Co16 F96 N32 O16 -","8","","","Fritzsche, Julia Christina; Grzywa, Maciej; Denysenko, Dmytro; Reschke, Stephan; Sugimoto, Kunihisa; Krug, Hans Albrecht; Schmidtner, Daniel; Volkmer, Dirk","CFA-14 ‒ a perfluorinated metal-organic framework with linear 1-D CoII-chains showing temperature dependent spin-chain magnetic ordering","Dalton Transactions","2018","","","","","10.1039/C8DT02841A","","","0.78201","Synchrotron","","0.176","0.1254","","","0.3349","0.3677","","","","","","1.21","","","","has coordinates","210108","2020-10-21","18:00:00",""
"7047667","31.777","0.0004","31.777","0.0004","36.0323","0.0008","90","","90","","90","","36384.6","1","293","2","293","2","","","","","","","","8","I 41/a c d","-I 4bd 2c","142","","","","- C52 H64 Ca2 Mo24 N8 Na4 O132 P16 -","- C52 H64 Ca2 Mo24 N8 Na4 O136 P16 -","- C416 H512 Ca16 Mo192 N64 Na32 O1088 P128 -","8","","","Tian, Xuerui; Hou, Lin; Wang, Jiaojiao; Xin, Xing; Zhang, Heng; Ma, Yuan-Yuan; Wang, Yali; Zhang, Lina; Han, Zhangang","Novel fully reduced phosphomolybdates for highly efficient removal of inorganic hexavalent chromium and organic dye methylene blue","Dalton Transactions","2018","","","","","10.1039/C8DT03250E","","","0.71073","MoKα","","0.0855","0.0686","","","0.1484","0.1622","","","","","","1.113","","","","has coordinates,has disorder","211208","2020-10-21","18:00:00",""
"7047919","13.8211","0.0008","13.8211","0.0008","41.437","0.002","90","","90","","90","","7915.4","0.8","298","2","298","2","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","","","","- C7.5 H13.5 Cu N O4.5 -","- C7.5 H13.5 Cu N O4.5 -","- C240 H432 Cu32 N32 O144 -","32","","","Fernandes, Tiago; Kirillova, Marina; André, Vânia; Kirillov, Alexander M.","Interplay between H-bonding and interpenetration in aqueous copper(II)−aminoalcohol−pyromellitic acid system: Self-assembly synthesis, structural features and catalysis","Dalton Transactions","2018","","","","","10.1039/C8DT02983K","","","0.71073","MoKα","","0.0686","0.0325","","","0.0702","0.082","","","","","","1.048","","","","has coordinates","211715","2020-10-21","18:00:00",""
"7049855","29.475","0.003","29.475","0.003","54.45","0.006","90","","90","","90","","47305","9","296","2","296.15","","","","","","","","","3","I 41/a c d","-I 4bd 2c","142","","","","- In140 O32 S200 -","- In140 O32 S200 -","- In280 O64 S400 -","2","","","Zhang, Jiaxu; Liu, Xiaozhuang; Ding, Yayun; Xue, Chaozhuang; Wu, Tao","Three new metal chalcogenide open frameworks built through co-assembly and/or hybrid assembly between supertetrahedral T5-InOS and T3-InS nanoclusters","Dalton Transactions","2019","","","","","10.1039/C9DT01410A","","","0.71073","MoKα","","0.1754","0.0799","","","0.2112","0.2654","","","","","","0.973","","","","has coordinates","214782","2020-10-21","18:00:00",""
"7049994","27.2637","0.0006","27.2637","0.0006","50.663","0.001","90","","90","","90","","37658.3","1.4","150","2","150","2","","","","","","","","8","I 41/a c d","-I 4bd 2c","142","","","","- C83 H64 F12 N20 Ni5 O13 P2 S4 -","- C83 H64 F12 N20 Ni5 O13 P2 S4 -","- C1328 H1024 F192 N320 Ni80 O208 P32 S64 -","16","","","Chiu, Cheng-Chang; Lee, Gene-Hsiang; Lin, Tien-Sung; Peng, Shie-Ming","Ligand Effects on the Structure, Mixed-valence Sites and Magnetic Properties of Novel Pentanickel String Complexes","Dalton Transactions","2019","","","","","10.1039/C9DT01363F","","","0.71073","MoKα","","0.0787","0.0551","","","0.1487","0.164","","","","","","1.045","","","","has coordinates,has disorder","214997","2020-10-21","18:00:00",""
"7115272","18.311","0.004","18.311","0.004","47.15","0.011","90","","90","","90","","15809","6","100","2","100","2","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","","","","- C72 H72 Cl8 Mn4 N12 -","- C72 H72 Cl8 Mn4 N12 -","- C576 H576 Cl64 Mn32 N96 -","8","","","Michael R. Gau; Clifton R. Hamilton; Michael J. Zdilla","Preparation of a 'twisted basket'Mn4N8 cluster: a two-hydrogen-atom reduced analogue of the Mn4N8 pinned butterfly","Chem.Commun.","2014","50","","7780","","10.1039/C4CC02872D","","","0.71073","MoKα","","0.0647","0.0471","","","0.1138","0.131","","","","","","1.048","","","","has coordinates,has disorder","180266","2020-10-21","18:00:00",""
"7116026","23.5247","0.0002","23.5247","0.0002","45.7102","0.001","90","","90","","90","","25296.6","0.6","173","2","173","2","","","","","","","","6","I 41/a c d","-I 4bd 2c","142","","","","- C60 H44 Cl4 Co2 N12 O18 -","- C60 H40 Cl4 Co2 N12 O18 -","- C960 H640 Cl64 Co32 N192 O288 -","16","","","Man Chen; Siu-Mui Ng; Shek-Man Yiu; Kai-Chung Lau; Raymond J. Zeng; Tai-Chu Lau","Photoinduced water oxidation catalyzed by a double-helical dicobalt(II) sexipyridine complex","Chem.Commun.","2014","50","","14956","","10.1039/C4cc07607A","","","0.71073","MOKα","","0.079","0.0591","","","0.1658","0.1909","","","","","","1.068","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7117762","39.709","0.006","39.709","0.006","39.724","0.008","90","","90","","90","","62637","18","100","2","100","2","","","","","","","","3","I 41/a c d","-I 4bd 2c","142","","","","- C110 H56 Br2 -","- C110 H56 Br2 -","- C1760 H896 Br32 -","16","","","Melanie Kitchin; Kristina Konstas; Christopher J. Sumby; Milena L. Czyz; Peter Valente; Matthew R. Hill; Anastasios Polyzos; Christian J. Doonan","Continuous flow synthesis of a carbon-based molecular cage macrocycle via a three-fold homocoupling reaction","Chem.Commun.","2015","51","","14231","","10.1039/C5cc05181A","","","0.71073","synchrotron","","0.1305","0.1092","","","0.2968","0.3186","","","","","","1.325","","","","has coordinates","153942","2020-10-21","18:00:00",""
"7118829","21.6492","0.0002","21.6492","0.0002","14.6312","0.0002","90","","90","","90","","6857.47","0.13","173.1","0.6","173.1","0.6","","","","","","","","2","I 41/a c d","-I 4bd 2c","142","","","","- C24 H12 -","- C24 H12 -","- C384 H192 -","16","","","Lungerich, Dominik; Nizovtsev, Alexey V.; Heinemann, Frank W.; Hampel, Frank; Meyer, Karsten; Majetich, George; Schleyer, Paul V. R.; Jux, Norbert","[18]Annulene put into a new perspective.","Chemical communications (Cambridge, England)","2016","52","25","4710","4713","10.1039/c6cc01309k","","x-ray","1.54184","CuKα","","0.045","0.0388","","","0.112","0.1203","","","","","","1.068","","","","has coordinates","181543","2020-10-21","18:00:00",""
"7119965","26.2902","0.0008","26.2902","0.0008","45.5256","0.0015","90","","90","","90","","31466.1","1.7","150","2","150","2","","","","","","","","8","I 41/a c d","-I 4bd 2c","142","","","","- C136 H84 Cl4 F12 N44 Ni11 O14 P2 -","- C136 H84 Cl4 F12 N44 Ni11 O14 P2 -","- C1088 H672 Cl32 F96 N352 Ni88 O112 P16 -","8","","","Chen, Po-Jung; Sigrist, Marc; Horng, Er-Chien; Lin, Geng-Min; Lee, Gene-Hsiang; Chen, Chun-Hsien; Peng, Shie-Ming","A ligand design with a modified naphthyridylamide for achieving the longest EMACs: the 1st single-molecule conductance of an undeca-nickel metal string.","Chemical communications (Cambridge, England)","2017","53","34","4673","4676","10.1039/c7cc01831b","","","0.71073","MoKα","","0.1302","0.0865","","","0.2069","0.2384","","","","","","1.091","","","","has coordinates,has disorder","196305","2020-10-21","18:00:00",""
"7122366","35.7713","0.0016","35.7713","0.0016","28.7439","0.0013","90","","90","","90","","36780","3","90","","90","","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","","UO2 4 tBu Ph","","- C68 H68 N4 O10 U2 -","- C68 H68 N4 O10 U2 -","- C1088 H1088 N64 O160 U32 -","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","","0.1035","0.0569","","","0.121","0.1522","","","","","","1.066","","","","has coordinates,has disorder","211092","2020-10-21","18:00:00",""
"7122505","16.553","0.0007","16.553","0.0007","22.1368","0.001","90","","90","","90","","6065.5","0.5","90","","90","","","","","","","","","3","I 41/a c d","-I 4bd 2c","142","","ytterbium magnesium antimonide","","- Mg Sb11 Yb13.82 -","- Mg Sb11 Yb13.8212 -","- Mg8 Sb88 Yb110.57 -","8","","","Kunz Wille, Elizabeth L.; Jo, Na Hyun; Fettinger, James C.; Canfield, Paul; Kauzlarich, Susan M.","Single crystal growth and magnetic properties of the mixed valent Yb containing Zintl phase, Yb14MgSb11","Chemical Communications","2018","","","","","10.1039/C8CC05471A","","","0.71073","MoKα","","0.0228","0.0225","","","0.052","0.0521","","","","","","1.336","","","","has coordinates","211641","2020-10-21","18:00:00",""
"7227129","26.9629","0.0003","26.9629","0.0003","27.5365","0.0004","90","","90","","90","","20019","0.4","293","2","293","2","","","","","","","","7","I 41/a c d","-I 4bd 2c","142","","","","- C66 H84 Cu2 N13 O50 P W12 -","- C54 H44 Cu2 N9 O40 P W12 -","- C432 H352 Cu16 N72 O320 P8 W96 -","8","","","Huo, Miao; Yang, Wenbin; Zhang, Hai-Long; Zhang, Lei; Liao, Jian-Zhen; Lin, Lang; Lu, Can-Zhong","A New POM-MOF hybrid Microporous Material with Ultrahigh Thermal Stability And Selective Adsorption of Organic Dyes","RSC Adv.","2016","","","","","10.1039/C6RA10422C","","","1.54184","CuKα","","0.048","0.0407","","","0.1065","0.1146","","","","","","1.144","","","","has coordinates","188530","2020-10-21","18:00:00",""
"7228300","19.357","0.002","19.357","0.002","23.627","0.003","90","","90","","90","","8852.9","1.7","100","2","100","2","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","","Octamethylferrocenium tetracyanoborate","","- C22 H26 B Fe N4 -","- C22 H26 B Fe N4 -","- C352 H416 B16 Fe16 N64 -","16","","","Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi","Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02746J","","","0.71073","MoKα","","0.0366","0.032","","","0.0866","0.0924","","","","","","1.069","","","","has coordinates","196937","2020-10-21","18:00:00",""