# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-08T09:17:27+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 61 2 2' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1513328","5.4203","0.0005","5.4203","0.0005","55.98","0.012","90","","90","","120","","1424.3","0.4","293","","293","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","L-cystine","L-(-)-3,3'-Dithiobis(2-aminopropanoic acid)","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C36 H72 N12 O24 S12 -","6","0.5","XD5007","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E.","The effect of pressure on the crystal structure of hexagonalL-cystine","Journal of Synchrotron Radiation","2005","12","5","598","607","10.1107/S0909049505019850","","","0.71073","MoKα","","0.0527","0.0476","","0.1054","0.1032","0.1054","","","","","","1.0671","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513329","5.403","0.0001","5.403","0.0001","55.984","0.004","90","","90","","120","","1415.35","0.11","293","","293","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","L-cystine","L-(-)-3,3'-Dithiobis(2-aminopropanoic acid)","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C36 H72 N12 O24 S12 -","6","0.5","XD5007","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E.","The effect of pressure on the crystal structure of hexagonalL-cystine","Journal of Synchrotron Radiation","2005","12","5","598","607","10.1107/S0909049505019850","","","0.6774","Synchrotron","","0.0376","0.0351","","0.0894","0.085","0.0894","","","","","","1.0582","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513330","5.3524","0.0002","5.3524","0.0002","55.087","0.014","90","","90","","120","","1366.7","0.4","293","","293","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","L-cystine","L-(-)-3,3'-Dithiobis(2-aminopropanoic acid)","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C36 H72 N12 O24 S12 -","6","0.5","XD5007","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E.","The effect of pressure on the crystal structure of hexagonalL-cystine","Journal of Synchrotron Radiation","2005","12","5","598","607","10.1107/S0909049505019850","","","0.6774","Synchrotron","","0.0379","0.0356","","0.0891","0.0879","0.0891","","","","","","1.0549","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513331","5.3141","0.0001","5.3141","0.0001","54.291","0.003","90","","90","","120","","1327.75","0.08","293","","293","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","L-cystine","L-(-)-3,3'-Dithiobis(2-aminopropanoic acid)","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C36 H72 N12 O24 S12 -","6","0.5","XD5007","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E.","The effect of pressure on the crystal structure of hexagonalL-cystine","Journal of Synchrotron Radiation","2005","12","5","598","607","10.1107/S0909049505019850","","","0.6774","Synchrotron","","0.0519","0.0483","","0.1122","0.1097","0.1122","","","","","","1.0538","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513332","5.2663","0.0001","5.2663","0.0001","53.549","0.005","90","","90","","120","","1286.15","0.12","293","","293","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","L-cystine","L-(-)-3,3'-Dithiobis(2-aminopropanoic acid)","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C36 H72 N12 O24 S12 -","6","0.5","XD5007","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E.","The effect of pressure on the crystal structure of hexagonalL-cystine","Journal of Synchrotron Radiation","2005","12","5","598","607","10.1107/S0909049505019850","","","0.6774","Synchrotron","","0.0967","0.0934","","0.2144","0.2112","0.2144","","","","","","1.0884","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1516622","21.4292","0.0006","21.4292","0.0006","21.4162","0.0006","90","","90","","120","","8517","0.4","150","2","150","2","","","","","","","synthesis as described","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C30 H28 O13 -","- C30 H28 O13 -","- C360 H336 O156 -","12","1","","Ren, Yulin; Lantvit, Daniel D.; Deng, Youcai; Kanagasabai, Ragu; Gallucci, Judith C.; Ninh, Tran Ngoc; Chai, Hee-Byung; Soejarto, Djaja D.; Fuchs, James R.; Yalowich, Jack C.; Yu, Jianhua; Swanson, Steven M.; Kinghorn, A. Douglas","Potent Cytotoxic Arylnaphthalene Lignan Lactones from Phyllanthus poilanei.","Journal of natural products","2014","77","6","1494","1504","10.1021/np5002785","","x-ray","1.2399","synchrotron","","0.0501","0.0377","","","0.0825","0.0889","","","","","","1.05","","","","has coordinates,has disorder","301776","2025-08-18","14:47:50",""
"1531122","9.581","","9.581","","15.9","","90","","90","","120","","1264.01","","","","","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","In (B P2 O8) (H2 O)0.8","","- B H1.6 In O8.8 P2 -","- B In O8.8 P2 -","- B6 In6 O52.8 P12 -","6","0.5","","Belokoneva, E.L.; Al'-Ama, A.G.; Gurbanova, O.A.; Dimitrova, O.V.; Stefanovich, S.Yu.","Synthesis, crystal structure and properties of a new indium borophosphate In (B P2 O8) * 0.8(H2 O)","Zhurnal Neorganicheskoi Khimii","2001","46","","1115","1120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533478","9.447","","9.447","","15.83","","90","","90","","120","","1223.49","","","","","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","Na (Co (H2 O)2) (B P2 O8) (H2 O)","","- B Co H6 Na O11 P2 -","- B Co H4 Na O11 P2 -","- B6 Co6 H24 Na6 O66 P12 -","6","0.5","","Shi Hengzhen; Shan Yongkui; Dai Liyi; Liu Yuyan; Weng Linhong","Crystal structure of borophosphate with 61 screw axis helices","Jiegon Huaxue","2003","22","","391","394","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539944","7.2","","7.2","","18","","90","","90","","120","","808.106","","","","","","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","","Cs Cu Cl3","","- Cl3 Cs Cu -","- Cl3 Cs Cu -","- Cl18 Cs6 Cu6 -","6","0.5","","Wells, A.F.","The Crystal Structure of Cs Cu Cl3 and the Crystal Chemistry of Complex Halides A B X3","Journal of the Chemical Society","1947","1947","","1662","1670","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540551","36.8","0.017","36.8","0.017","35.22","0.02","90","","90","","120","","41306","4","100","2","100","2","","","","","","","","7","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C202 H146 F40 N62 O66 S22 Zn9 -","- C187 H146 F21 N32.5 O32 S7 Zn9 -","- C1122 H876 F126 N195 O192 S42 Zn54 -","6","0.5","","Wood, Christopher; Ronson, Tanya; McConnell, Anna; Roberts, Derrick A.; Nitschke, Jonathan","Dual stimuli-induced formation of a μ-hydroxido bridged [Zn9L5(μ-OH)6]12+half-pipe","Chem. Sci.","2015","","","","","10.1039/C5SC03926F","","","0.6889","synchrotron","","0.1138","0.0937","","","0.2471","0.2655","","","","","","1.071","","","","has coordinates,has disorder","208253","2020-10-21","18:00:00",""
"1548044","24.8796","0.0005","24.8796","0.0005","96.7732","0.0016","90","","90","","120","","51876.7","1.7","100","2","100.15","","","","","","","","","9","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C209 H369 Co Cr14 F16 N5 Ni2 O77 Ru2 -","- C209 H369 Co0.9999 Cr14 F16 N5 Ni2 O77 Ru2.0001 -","- C1254 H2214 Co5.9994 Cr84 F96 N30 Ni12 O462 Ru12.0006 -","6","0.5","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","1.54184","CuKα","","0.1382","0.1276","","","0.3158","0.3266","","","","","","1.308","","","","has coordinates,has disorder","203169","2020-10-21","18:00:00",""
"1548320","16.3159","0.0005","16.3159","0.0005","19.6989","0.0005","90","","90","","120","","4541.5","0.2","198","","198","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H44.33 Cl Mo N2 P2 -","- C24.3332 H43 Cl Mo N2 P2 -","- C145.999 H258 Cl6 Mo6 N12 P12 -","6","0.5","","Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi","Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia","Nature Communications","2014","5","","3737","","10.1038/ncomms4737","","","0.71075","MoKα","","","0.1103","","","","0.2165","","","","","","1","","","","has coordinates","203783","2020-10-21","18:00:00",""
"1553654","15.6598","0.0011","15.6598","0.0011","34.08","0.002","90","","90","","120","","7237.7","0.8","298","2","298","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C42 H42 I2 N2 -","- C42 H42 I2 N2 -","- C252 H252 I12 N12 -","6","0.5","","Samanta, Soham; Halder, Senjuti; Dey, Poulomi; Manna, Utsab; Ramesh, Aiyagari; Das, Gopal","A ratiometric fluorogenic probe for the real-time detection of SO<sub>3</sub><sup>2-</sup> in aqueous medium: application in a cellulose paper based device and potential to sense SO<sub>3</sub><sup>2-</sup> in mitochondria.","The Analyst","2017","143","1","250","257","10.1039/c7an01368j","","","0.71073","MoKα","","0.1956","0.1231","","","0.3163","0.3489","","","","","","0.999","","","","has coordinates","235580","2020-10-21","18:00:00",""
"1554127","10.6131","0.0002","10.6131","0.0002","37.846","0.003","90","","90","","120","","3691.8","0.3","100","2","100","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","bis(4-Pyridyl)bis(pyridinium-4-yl)methane bis(tetrafluoroborate) acetonitrile solvate","","- C23 H21 B2 F8 N5 -","- C23 H21 B2 F8 N5 -","- C138 H126 B12 F48 N30 -","6","0.5","","Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi","Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane","The Journal of Physical Chemistry C","2019","123","11","6599","","10.1021/acs.jpcc.8b12421","","","1.54187","CuKα","","0.0678","0.0669","","","0.1944","0.1951","","","","","","1.117","","","","has coordinates","236600","2020-10-21","18:00:00",""
"1554128","10.6229","0.0002","10.6229","0.0002","38.184","0.003","90","","90","","120","","3731.6","0.3","200","2","200","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","bis(4-Pyridyl)bis(pyridinium-4-yl)methane bis(tetrafluoroborate) acetonitrile solvate","","- C23 H21 B2 F8 N5 -","- C23 H21 B2 F8 N5 -","- C138 H126 B12 F48 N30 -","6","0.5","","Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi","Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane","The Journal of Physical Chemistry C","2019","123","11","6599","","10.1021/acs.jpcc.8b12421","","","1.54187","CuKα","","0.077","0.0763","","","0.2198","0.2205","","","","","","1.087","","","","has coordinates","236600","2020-10-21","18:00:00",""
"1554129","10.6135","0.0002","10.6135","0.0002","38.198","0.003","90","","90","","120","","3726.4","0.3","100","2","100","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","bis(4-Pyridyl)bis(pyridinium-4-yl)methane bis(tetrafluoroborate)","","- C21 H18 B2 F8 N4 -","- C21 H18 B2 F8 N4 -","- C126 H108 B12 F48 N24 -","6","0.5","","Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi","Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane","The Journal of Physical Chemistry C","2019","123","11","6599","","10.1021/acs.jpcc.8b12421","","","1.54187","CuKα","","0.0628","0.0559","","","0.1101","0.1145","","","","","","1.034","","","","has coordinates","236600","2020-10-21","18:00:00",""
"1554130","10.628","0.0002","10.628","0.0002","38.399","0.003","90","","90","","120","","3756.2","0.3","280","2","280","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","bis(4-Pyridyl)bis(pyridinium-4-yl)methane bis(tetrafluoroborate)","","- C21 H18 B2 F8 N4 -","- C21 H18 B2 F8 N4 -","- C126 H108 B12 F48 N24 -","6","0.5","","Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi","Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane","The Journal of Physical Chemistry C","2019","123","11","6599","","10.1021/acs.jpcc.8b12421","","","1.54187","CuKα","","0.0653","0.055","","","0.1075","0.1132","","","","","","0.974","","","","has coordinates","236600","2020-10-21","18:00:00",""
"1554131","18.3447","0.0003","18.3447","0.0003","37.85","0.003","90","","90","","120","","11031.1","0.9","100","2","100","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","bis(4-Pyridyl)bis(pyridinium-4-yl)methane bis(tetrafluoroborate) acetonitrile solvate","","- C21 H23 B2 F8 N4 O2.5 -","- C21 H18 B2 F8 N4 O2.5 -","- C378 H324 B36 F144 N72 O45 -","18","1.5","","Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi","Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane","The Journal of Physical Chemistry C","2019","123","11","6599","","10.1021/acs.jpcc.8b12421","","","1.54187","CuKα","","0.0791","0.0771","","","0.2333","0.2354","","","","","","1.067","","","","has coordinates","236600","2020-10-21","18:00:00",""
"1554132","10.6249","0.0002","10.6249","0.0002","38.276","0.003","90","","90","","120","","3742","0.3","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","bis(4-Pyridyl)bis(pyridinium-4-yl)methane bis(tetrafluoroborate) acetonitrile solvate","","- C21 H23 B2 F8 N4 O2.5 -","- C21 H18 B2 F8 N4 O2.5 -","- C126 H108 B12 F48 N24 O15 -","6","0.5","","Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi","Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane","The Journal of Physical Chemistry C","2019","123","11","6599","","10.1021/acs.jpcc.8b12421","","","1.54187","CuKα","","0.0802","0.0781","","","0.2258","0.2271","","","","","","1.051","","","","has coordinates","236600","2020-10-21","18:00:00",""
"1562016","5.09611","0.00017","5.09611","0.00017","41.264","0.0017","90","","90","","120","","928.07","0.06","295","2","295","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","","","- Ca2 Li2 O7 Si2 -","- Ca2 Li2 O7 Si2 -","- Ca12 Li12 O42 Si12 -","6","0.5","","Kahlenberg, Volker; Brunello, Emanuele; Hejny, Clivia; Krüger, Hannes; Schmidmair, Daniela; Tribus, Martina; Többens, Daniel M.","Li2Ca2Si2O7: Structural, spectroscopic and computational studies on a sorosilicate","Journal of Solid State Chemistry","2015","225","","155","167","10.1016/j.jssc.2014.12.009","","x-ray","0.71073","MoKα","","0.0283","0.026","","","0.069","0.0697","","","","","","1.38","","","","has coordinates","264451","2021-04-23","08:01:48",""
"1566652","6.32849","0.00014","6.32849","0.00014","6.05472","0.00022","90","","90","","120","","210.003","0.01","","","","","","","","","","","","2","P 61 2 2","P 61 2 (0 0 5)","178","ice XVII","","","- D2 O -","- D2 O -","- D12 O6 -","6","0.5","","del Rosso, L.; Grazzi, F.; Celli, M.; Colognesi, D.; Garcia-Sakai, V.; Ulivi, L.","Refined structure of metastable ice XVII from neutron diffraction measurements","The Journal of Physical Chemistry C","2016","120","","26955","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273846","2022-03-20","08:55:39",""
"1574864","11.3851","0.0008","11.3851","0.0008","64.721","0.007","90","","90","","120","","7265.2","1.1","100","2","100","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H35 F N2 O2 Si -","- C24 H35 F N2 O2 Si -","- C288 H420 F12 N24 O24 Si12 -","12","1","","Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K.","Multifunctional chiral silanol ligands for enantioselective catalysis.","Chemical science","2025","16","30","13678","13683","10.1039/d5sc02528a","","","0.71073","MoKα","","0.0404","0.0378","","","0.092","0.0933","","","","","","1.152","","","","has coordinates","301551","2025-08-05","21:20:37",""
"1575642","32.1","0.02","32.1","0.02","90.47","0.07","90","","90","","120","","80732","9","100","2","100","2","","","","","","","","7","P 61 2 2","P 61 2 (0 0 5)","178","","metal–peptide double helical β-sheet tape (Val, Tle)","","- C36.35 H53 Ag F4.05 N7.67 O11.7 S1.35 -","- C36.35 H51 Ag F4.05 N7.675 O11.7 S1.35 -","- C1744.8 H2448 Ag48 F194.4 N368.4 O561.6 S64.8 -","48","4","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","0.7","synchrotron","","0.2392","0.1848","","","0.4253","0.4788","","","","","","1.272","","","","has coordinates,has disorder","303660","2025-11-29","18:40:14",""
"2011459","9.3218","0.0007","9.3218","0.0007","73.631","0.008","90","","90","","120","","5541","0.8","170","2","170","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","(1S,2S)-1,2-bis(2'-thiophenyl)cyclopentane bis-(-)- menthylcarbonate","","- C39 H54 O4 S2 -","- C39 H54 O4 S2 -","- C234 H324 O24 S12 -","6","0.5","QA0388","Bates, Robert B.; Carducci, Michael D.; Diez, Anna; Forns, Pilar; Kane, Vinayak V.; Rubiralta, Mario","Absolute configuration of a <i>C</i>~2~-symmetric bis(thiophenol)","Acta Crystallographica Section C","2000","56","10","e484","e484","10.1107/S0108270100012506","","","0.71073","MoKα","","0.093","0.045","","","","0.119","","","","","","1","","","","has coordinates,has Fobs","301798","2025-08-19","06:41:47",""
"2020032","7.9306","","7.9306","","17.701","","90","","90","","120","","964.141","","","","","","","","","","","","","2","P 61 2 2","P 61 2 (0 0 5)","178","","","","- Ir3 Zr5 -","- Ir3 Zr5 -","- Ir18 Zr30 -","6","0.5","","Cenzual, K.; Parthe, E.","Zr5 Ir3 with a deformation superstructure of the Mn5 Si3 structure","Acta Crystallographica C (39,1983-)","1986","42","","1101","1105","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2101917","8.271","0.003","8.271","0.003","11.083","0.003","90","","90","","120","","656.6","0.4","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","1,10-dibromodecane/urea inclusion","","- C1.7 H5.54 Br0.14 N2 O -","- C3 H4 N2 O -","- C18 H24 N12 O6 -","6","0.5","HA0155","Yeo, L.; Harris, K. D. M.","Definitive Structural Characterization of the Conventional Low-Temperature Host Structure in Urea Inclusion Compounds","Acta Crystallographica Section B","1997","53","5","822","830","10.1107/S0108768197005417","","","0.71069","MoKα","","0.1153","0.1133","","0.2915","0.2903","","","","1.23","1.24","1.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101918","8.2201","0.0013","8.2201","0.0013","11.0342","0.0012","90","","90","","120","","645.69","0.16","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","1,12-dibromododecane/urea inclusion","","- C2.08 H6.16 Br0.18 N2 O -","- C3 H4 N2 O -","- C18 H24 N12 O6 -","6","0.5","HA0155","Yeo, L.; Harris, K. D. M.","Definitive Structural Characterization of the Conventional Low-Temperature Host Structure in Urea Inclusion Compounds","Acta Crystallographica Section B","1997","53","5","822","830","10.1107/S0108768197005417","","","0.71069","MoKα","","0.1121","0.1099","","0.3018","0.2987","","","","1.22","1.219","1.219","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2108554","9.6292","0.0003","9.6292","0.0003","15.8051","0.0005","90","","90","","120","","1269.14","0.07","293","2","293","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","Caesium manganese borophosphate hydrate","Caesium Diaquamanganese (II,III) Borodiphosphate Hydrate","","- B Cs0.51 H4.9 Mn1.17 O10.45 P2 -","- B Cs0.516 H4 Mn1.166 O10.45 P2 -","- B6 Cs3.096 H24 Mn6.996 O62.7 P12 -","6","0.5","","Shvanskaya, Larisa; Yakubovich, Olga; Krikunova, Polina; Ovchenkov, Evgeny; Vasiliev, Alexander","Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013763","","","0.71073","MoKα","","0.0699","0.0614","","","0.096","0.0987","","","","","","1.264","","","","has coordinates,has Fobs","232449","2020-10-21","18:00:00",""
"2206062","11.7463","0.0006","11.7463","0.0006","18.2841","0.001","90","","90","","120","","2184.8","0.2","173","2","173","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","dimethyldiphenylphosphonium iodide","","- C14 H16 I P -","- C14 H16 I P -","- C84 H96 I6 P6 -","6","0.5","SJ6077","Dornhaus, Franz; Lerner, Hans-Wolfram; Bolte, Michael","The `absolute structure' of dimethyldiphenylphosphonium iodide","Acta Crystallographica Section E","2005","61","6","o1657","o1658","10.1107/S1600536805013012","","","0.71073","MoKα","","0.0207","0.0198","","","0.0469","0.0473","","","","","","1.195","","","","has coordinates,has Fobs","301803","2025-08-19","11:20:51",""
"2223045","11.136","0.0006","11.136","0.0006","33.11","0.003","90","","90","","120","","3555.9","0.4","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","<i>catena</i>-Poly[[bis(2-hydroxy-2-phenylacetato- κ^2^<i>O</i>^1^,<i>O</i>^2^)zinc(II)]- μ-1,2-di-4-pyridylethane-κ^2^<i>N</i>:<i>N</i>']","","- C28 H26 N2 O6 Zn -","- C28 H26 N2 O6 Zn -","- C168 H156 N12 O36 Zn6 -","6","0.5","DN2478","Yu, Seung Man; Shin, Dong Hoon; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee","<i>catena</i>-Poly[[bis(2-hydroxy-2-phenylacetato-κ^2^<i>O</i>^1^,<i>O</i>^2^)zinc(II)]-μ-1,2-di-4-pyridylethane-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2009","65","9","m1045","m1046","10.1107/S1600536809030281","","","0.71073","MoKα","","0.0418","0.0321","","","0.066","0.0684","","","","","","1.043","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2224404","11.8184","0.0005","11.8184","0.0005","27.34","0.002","90","","90","","120","","3307.1","0.3","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","Poly[μ~3~-acetato-di-μ~3~-isonicotinato-μ~2~-isonicotinato- samarium(III)silver(I)]","","- C20 H15 Ag N3 O8 Sm -","- C20 H15 Ag N3 O8 Sm -","- C120 H90 Ag6 N18 O48 Sm6 -","6","0.5","PV2235","Zhu, Li-Cai","Poly[μ~3~-acetato-di-μ~3~-isonicotinato-μ~2~-isonicotinato-samarium(III)silver(I)]","Acta Crystallographica Section E","2009","65","12","m1616","","10.1107/S1600536809048430","","","0.71073","MoKα","","0.0214","0.0202","","","0.0485","0.049","","","","","","1.059","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2227724","11.4489","0.0011","11.4489","0.0011","28.35","0.004","90","","90","","120","","3218.2","0.6","298","2","298","1","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","(-)-(<i>S</i>)-<i>N</i>,<i>N</i>'-Bis[1-(1-naphthyl)ethyl]ethanediamide","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C156 H144 N12 O12 -","6","0.5","JH2225","Bernès, Sylvain; Hernández, Guadalupe; Vázquez, Jaime; Tovar, Alejandra; Gutiérrez, René","(–)-(<i>S</i>)-<i>N</i>,<i>N</i>'-Bis[1-(1-naphthyl)ethyl]oxalamide","Acta Crystallographica Section E","2010","66","11","o2988","","10.1107/S1600536810043424","","","0.71073","MoKα","","0.0871","0.0431","","","0.1023","0.1384","","","","","","1.112","","","","has coordinates,has Fobs","301805","2025-08-19","13:58:12",""
"2300359","8.806","0.005","8.806","0.005","33.147","0.005","90","0.005","90","0.005","120","0.005","2226","1.8","100","2","100","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C6 H24 N8 Ni O6 -","- C6 H24 N8 Ni O6 -","- C36 H144 N48 Ni6 O36 -","6","0.5","HE5530","Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán","Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem","Journal of Applied Crystallography","2011","44","4","763","771","10.1107/S0021889811016232","","","0.71069","MoKα","","0.0301","0.028","","","0.1019","0.1045","","","","","","0.897","","","","has coordinates","301808","2025-08-19","18:56:14",""
"2300360","8.806","0.005","8.806","0.005","33.147","0.005","90","0.005","90","0.005","120","0.005","2226","1.8","100","2","100","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C6 H24 N8 Ni O6 -","- C6 H24 N8 Ni O6 -","- C36 H144 N48 Ni6 O36 -","6","0.5","HE5530","Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán","Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem","Journal of Applied Crystallography","2011","44","4","763","771","10.1107/S0021889811016232","","","0.71069","MoKα","","0.0326","0.031","","","0.1154","0.1174","","","","","","1.014","","","","has coordinates","301808","2025-08-19","18:56:14",""
"4000985","10.354","0.0012","10.354","0.0012","37.055","0.004","90","","90","","120","","3440.3","0.7","100","1","100","1","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- B2 H8 Mg -","- B2 H8 Mg -","- B60 H240 Mg30 -","30","2.5","","Filinchuk, Yaroslav; Černý, Radovan; Hagemann, Hans","Insight into Mg(BH4)2with Synchrotron X-ray Diffraction: Structure Revision, Crystal Chemistry, and Anomalous Thermal Expansion","Chemistry of Materials","2009","21","5","925","","10.1021/cm803019e","","","0.77029","synchrotron","","0.0445","0.0408","","","0.0929","0.0952","","","","","","1.18","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002299","9.496","","9.496","","15.623","","90","","90","","120","","1220.05","","","","","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","(H0.5 Co1.25 (H2 O)1.5) (B P2 O8) (H2 O)","","- B Co1.25 H5.5 O10.5 P2 -","- B Co1.25 O10.5 P2 -","- B6 Co7.5 O63 P12 -","6","0.5","","Yilmaz, A.; Kizilyalli, M.; Bu Xianhui; Stucky, G.D.","Fe (H2 O)2 B P2 O8 . (H2 O), a first zeotype ferriborophosphate with chiral tetrahedral framework topology","Chemistry of Materials (1,1989-)","2000","12","","3243","3245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002523","9.8889","","9.8889","","28.671","","90","","90","","120","","2428.12","","","","","","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","K (Ti O2 (O H))","","- H K O3 Ti -","- K O3 Ti -","- K36 O108 Ti36 -","36","3","","Masaki, N.; Uchida, S.; Sato, T.; Yamane, H.","Characterization of a new potassium titanate, K Ti O2 (O H) synthesized via hydrothermal method","Chemistry of Materials (1,1989-)","2002","14","","419","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002656","6.405","0.0006","6.405","0.0006","6.1427","0.0006","90","","90","","120","","218.24","0.04","293","2","293","2","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- Al1.62 Na1.62 Sn4.38 -","- Al1.62 Na1.62 Sn4.38 -","- Al1.62 Na1.62 Sn4.38 -","1","0.0833333","","Kanno, Masahiro; Yamada, Takahiro; Yamane, Hisanori; Nagai, Hideaki","Synthesis, Crystal Structure, and Thermoelectric Properties of Na2+xAl2+xSn4‒x(x= −0.38, ‒0.24)","Chemistry of Materials","2016","28","2","601","","10.1021/acs.chemmater.5b04239","","","0.71075","MoKα","","0.012","0.0108","","","0.0216","0.0219","","","","","","1.128","","","","has coordinates","208253","2020-10-21","18:00:00",""
"4002657","6.3984","0.0003","6.3984","0.0003","6.1529","0.0003","90","","90","","120","","218.149","0.018","293","2","293","2","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- Al1.76 Na1.76 Sn4.24 -","- Al1.758 Na1.758 Sn4.242 -","- Al1.758 Na1.758 Sn4.242 -","1","0.0833333","","Kanno, Masahiro; Yamada, Takahiro; Yamane, Hisanori; Nagai, Hideaki","Synthesis, Crystal Structure, and Thermoelectric Properties of Na2+xAl2+xSn4‒x(x= −0.38, ‒0.24)","Chemistry of Materials","2016","28","2","601","","10.1021/acs.chemmater.5b04239","","","0.71075","MoKα","","0.0134","0.0126","","","0.0263","0.0266","","","","","","1.119","","","","has coordinates","208253","2020-10-21","18:00:00",""
"4003872","11.881","0.002","11.881","0.002","29.696","0.005","90","","90","","120","","3630.2","1.1","298.15","","298.15","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C0.8 H1.5 F0.09 N0.2 O2 Si -","- C0.8 H1.5 F0.088 N0.2 O2 Si -","- C48 H90 F5.28 N12 O120 Si60 -","60","5","","Kang, Jong Hun; McCusker, Lynne B.; Deem, Michael W.; Baerlocher, Christian; Davis, Mark E.","Further Investigations of Racemic and Chiral Molecular Sieves of the STW Topology","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04573","","","1.54178","CuKα","","0.0613","0.0571","","","0.1367","0.1391","","","","","","1.074","","","","has coordinates,has disorder","262240","2021-02-25","23:23:37",""
"4066331","11.0901","0.0006","11.0901","0.0006","87.205","0.009","90","","90","","120","","9288.4","1.2","233","2","233","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C56 H56 Cl6 Cr2 P4 -","- C56 H56 Cl6 Cr2 P4 -","- C336 H336 Cl36 Cr12 P24 -","6","0.5","","Kim, Sung-Kwan; Kim, Tae-Jin; Chung, Jae-Ho; Hahn, Tak-Kyu; Chae, Sung-Soek; Lee, Ho-Seong; Cheong, Minserk; Kang, Sang Ook","Bimetallic Ethylene Tetramerization Catalysts Derived from Chiral DPPDME Ligands: Syntheses, Structural Characterizations, and Catalytic Performance of [(DPPDME)CrCl3]2(DPPDME =S,S- andR,R-chiraphos andmeso-achiraphos)","Organometallics","2010","29","22","5805","","10.1021/om100400b","","","0.71073","MoKα","","0.1477","0.1149","","","0.2732","0.2947","","","","","","0.955","","","","has coordinates","178555","2020-10-21","18:00:00",""
"4069694","9.047","0.0005","9.047","0.0005","29.203","0.003","90","","90","","120","","2070","0.3","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C10 H13 Cl2 N3 Pd -","- C10 H13 Cl2 N3 Pd -","- C60 H78 Cl12 N18 Pd6 -","6","0.5","","Zanardi, Alessandro; Mata, José A.; Peris, Eduardo","Domino Approach to Benzofurans by the Sequential Sonogashira/Hydroalkoxylation Couplings Catalyzed by New N-Heterocyclic-Carbene-Palladium Complexes","Organometallics","2009","28","15","4335","","10.1021/om900358r","","x-ray","0.71073","MoKα","","0.0511","0.0419","","","0.1167","0.1237","","","","","","1.08","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4072158","16.4243","0.0002","16.4243","0.0002","47.099","0.0004","90","","90","","120","","11003.1","0.2","200","","200","","","","","","","","?","7","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C38.73 H37.2 As Cl0.53 F6 O1.37 P2 -","- C38.734 H37.1999 As Cl0.532 F6 O1.367 P2 -","- C464.808 H446.399 As12 Cl6.384 F72 O16.404 P24 -","12","1","","Coote, Michelle L.; Krenske, Elizabeth H.; Porter, Keith A.; Weir, Michelle L.; Willis, Anthony C.; Zhou, Xiangting; Wild, S. Bruce","Asymmetric Synthesis of a Tertiary Arsine by Nucleophilic Addition to a Chiral Phosphine-Stabilized Arsenium Salt","Organometallics","2008","27","19","5099","","10.1021/om8006272","","","0.71073","MoKα","","0.0464","0.0366","","0.0432","0.0386","0.0386","","","","","","1.1271","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102285","22.9187","0.0005","22.9187","0.0005","61.6463","0.0012","90","","90","","120","","28042.6","1","296.1","","296.1","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C68 H72 Cl2 Cu2 P4 -","- C68 H72 Cl2 Cu2 P4 -","- C1224 H1296 Cl36 Cu36 P72 -","18","1.5","","Ryo Yazaki; Naoya Kumagai; Masakatsu Shibasaki","Direct Catalytic Asymmetric Addition of Allyl Cyanide to Ketones via Soft Lewis Acid/Hard Brønsted Base/Hard Lewis Base Catalysis","Journal of the American Chemical Society","2010","132","","5522","5531","10.1021/ja101687p","","","1.54187","CuKα","","","0.1176","","","","0.342","","","","","","1.629","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104976","7.2298","0.0003","7.2298","0.0003","24.6254","0.0008","90","","90","","120","","1114.72","0.07","150","2","150","2","","","","","","","?","5","P 61 2 2","P 61 2 (0 0 5)","178","","caesium copper(I) silver(I) cyanide, CsAgCu(CN)3","","- C9 Ag3 Cs3 Cu3 N9 -","- C9 Ag3 Cs3 Cu3 N9 -","- C18 Ag6 Cs6 Cu6 N18 -","2","0.166667","","Ann M. Chippindale; Simon J. Hibble","Helices, Chirality and Interpenetration: the Versatility and Remarkable Interconversion of Silver-Copper Cyanide Frameworks","Journal of the American Chemical Society","2009","131","","12736","12744","10.1021/ja903841e","","","0.71073","MoKα","","0.0259","0.0215","","0.0273","0.0248","0.0248","","","","","","1.0165","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108224","16.2384","0.0004","16.2384","0.0004","20.068","0.001","90","","90","","120","","4582.7","0.3","100","2","100","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H53.666667 Ir O P2 -","- C29 H53.6667 Ir O P2 -","- C174 H322 Ir6 O6 P12 -","6","0.5","","Rajshekhar Ghosh; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Combined Experimental and Computational Studies on Carbon-Carbon Reductive Elimination from Bis(hydrocarbyl) Complexes of (PCP)Ir","Journal of the American Chemical Society","2008","130","","11317","11327","10.1021/ja800434r","","","0.71073","MoKα","","0.0396","0.0298","","","0.069","0.0724","","","","","","1.059","","","","has coordinates,has disorder","178828","2020-10-21","18:00:00",""
"4109637","34.1978","0.0003","34.1978","0.0003","45.9516","0.0005","90","","90","","120","","46540.1","0.8","273","2","273","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C98.67 H99.33 Cd8 S15 -","- C98.6667 H99.3333 Cd8 S15 -","- C1776 H1788 Cd144 S270 -","18","1.5","","Qichun Zhang; Xianhui Bu; Jian Zhang; Tao Wu; Pingyun Feng","Chiral Semiconductor Frameworks from Cadmium Sulfide Clusters","Journal of the American Chemical Society","2007","129","","8412","8413","10.1021/ja072274t","","","0.71073","MoKα","","0.0828","0.0444","","","0.0987","0.1212","","","","","","1.063","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4111761","20","0.004","20","0.004","71.74","0.02","90","","90","","120","","24851","10","93.1","","","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C84 H187 N41 O56 Ru Zn6 -","- C84 H144 N39 O50 Ru Zn6 -","- C504 H864 N234 O300 Ru6 Zn36 -","6","0.5","","Shin Aoki; Mohd Zulkefeli; Motoo Shiro; Masanori Kohsako; Kei Takeda; Eiichi Kimura","A Luminescence Sensor of Inositol 1,4,5-Triphosphate and Its Model Compound by Ruthenium-Templated Assembly of a Bis(Zn2±Cyclen) Complex Having a 2,2'-Bipyridyl Linker (Cyclen = 1,4,7,10-Tetraazacyclododecane)","Journal of the American Chemical Society","2005","127","","9129","9139","10.1021/ja050876b","","","1.54175","CuKα","","","0.133","","","","0.366","","","","","","1.157","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4116838","6.279","0.001","6.279","0.001","47.46","0.01","90","","90","","120","","1620.5","0.5","123","2","123","2","","","","","","","synthesis","4","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C5 H20 B2 P2 -","- C5 H20 B2 P2 -","- C30 H120 B12 P12 -","6","0.5","","F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang","Low-Valent Ditantalum Complex Ta2(μ-BH3)(μ-dmpm)3(η2-BH4)2: First Dinuclear Compound Containing a Bridging BH3 Group with Direct Ta-B Bonds","Journal of the American Chemical Society","1998","120","","9594","9599","10.1021/ja9817242","","","0.71073","MoKα","","0.0476","0.0333","","0.0833","0.0785","","","","1.195","1.231","1.231","","","","","has coordinates","301833","2025-08-20","15:23:00",""
"4120134","6.451","0.001","6.451","0.001","6.237","0.001","90","","90","","120","","224.78","0.06","298","","110","","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- Na2 Sn5 Zn -","- Na1.9998 Sn4.9998 Zn1.0002 -","- Na1.9998 Sn4.9998 Zn1.0002 -","1","0.0833333","","Saskia Stegmaier; Sung-Jin Kim; Alexander Henze; Thomas F. Fässler","Tetrahedral Framework Structures: Polymorphic Phase Transition with Reorientation of Hexagonal Helical Channels in the Zintl Compound Na~2~ZnSn~5~ and its Relation to Na~5~Zn~2+<i>x</i>~Sn~10-<i>x</i>~","Journal of the American Chemical Society","2013","135","","10654","10663","10.1021/ja401043b","","x-ray","0.71073","MoKα","","0.0157","0.0157","","","0.0379","0.0379","","","","","","1.336","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120261","11.90205","0.00011","11.90205","","29.692","0.0004","90","","90","","120","","3642.62","0.06","","","","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C8 F N2 O20 Si10 -","- C8 F N2 O20 Si10 -","- C48 F6 N12 O120 Si60 -","6","0.5","","Alex Rojas; Oriol Arteaga; Bart Kahr; Miguel A. Camblor","Synthesis, Structure, and Optical Activity of HPM-1, a Pure Silica Chiral Zeolite","Journal of the American Chemical Society","2013","135","","11975","11984","10.1021/ja405088c","powder diffraction","x-ray","0.4995","","","","","","","","","0.06209","","1.86","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121348","16.5797","0.0007","16.5797","0.0007","36.2517","0.0016","90","","90","","120","","8630","0.6","143","1","143","1","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C60 H36 Ce Cs2 O6 -","- C60 H36 Ce Cs2 O6 -","- C360 H216 Ce6 Cs12 O36 -","6","0.5","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0941","0.0861","","","0.1864","0.1898","","","","","","1.227","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4129980","22.901","0.003","22.901","0.003","22.272","0.005","90","","90","","120","","10116","3","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C41 H57 Cu6 I4 N11 O3 -","- C32 H36 Cu6 I4 N8 -","- C192 H216 Cu36 I24 N48 -","6","0.5","","Luo, Xiaolong; Cao, Yu; Wang, Tao; Li, Guanghua; Li, Jiangang; Yang, Yonggang; Xu, Zhongxuan; Zhang, Jian; Huo, Qisheng; Liu, Yunling; Eddaoudi, Mohamed","Host-Guest Chirality Interplay: A Mutually Induced Formation of a Chiral ZMOF and Its Double-Helix Polymer Guests.","Journal of the American Chemical Society","2016","138","3","786","789","10.1021/jacs.5b12516","","","0.71073","MoKα","","0.0652","0.0428","","","0.1113","0.1176","","","","","","1.011","","","","has coordinates","240587","2020-10-21","18:00:00",""
"4129981","22.22","0.003","22.22","0.003","22.487","0.005","90","","90","","120","","9615","3","293","2","293","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C41 H57 Cu6 I4 N11 O3 -","- C35 H36 Cu6 I4 N9 -","- C210 H216 Cu36 I24 N54 -","6","0.5","","Luo, Xiaolong; Cao, Yu; Wang, Tao; Li, Guanghua; Li, Jiangang; Yang, Yonggang; Xu, Zhongxuan; Zhang, Jian; Huo, Qisheng; Liu, Yunling; Eddaoudi, Mohamed","Host-Guest Chirality Interplay: A Mutually Induced Formation of a Chiral ZMOF and Its Double-Helix Polymer Guests.","Journal of the American Chemical Society","2016","138","3","786","789","10.1021/jacs.5b12516","","","0.71073","MoKα","","0.0541","0.045","","","0.1394","0.1435","","","","","","1.097","","","","has coordinates","240588","2020-10-21","18:00:00",""
"4131527","27.1819","0.0009","27.1819","0.0009","22.9588","0.0009","90","","90","","120","","14690.6","0.9","173","2","173.15","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C23 H18 Mn O7 P0.5 -","- C23 H18 Mn O7 P0.5 -","- C276 H216 Mn12 O84 P6 -","12","1","","Chen, Xu; Jiang, Hong; Hou, Bang; Gong, Wei; Liu, Yan; Cui, Yong","Boosting Chemical Stability, Catalytic Activity, and Enantioselectivity of Metal-Organic Frameworks for Batch and Flow Reactions.","Journal of the American Chemical Society","2017","139","38","13476","13482","10.1021/jacs.7b06459","","","1.54178","CuKα","","0.0654","0.042","","","0.1112","0.1212","","","","","","1.056","","","","has coordinates","241717","2020-10-21","18:00:00",""
"4131528","27.0514","0.0003","27.0514","0.0003","23.2766","0.0005","90","","90","","120","","14751.3","0.4","293","2","293","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C23 H12 F6 Mn O7 P0.5 -","- C23 H12 F6 Mn O7 P0.5 -","- C276 H144 F72 Mn12 O84 P6 -","12","1","","Chen, Xu; Jiang, Hong; Hou, Bang; Gong, Wei; Liu, Yan; Cui, Yong","Boosting Chemical Stability, Catalytic Activity, and Enantioselectivity of Metal-Organic Frameworks for Batch and Flow Reactions.","Journal of the American Chemical Society","2017","139","38","13476","13482","10.1021/jacs.7b06459","","","1.54178","CuKα","","0.0462","0.0379","","","0.104","0.11","","","","","","1.035","","","","has coordinates,has disorder","241718","2020-10-21","18:00:00",""
"4133668","22.026","0.004","22.026","0.004","12.068","0.002","90","0.03","90","0.03","120","0.03","5070","2","296","2","296","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C8 H4 N0 O7.75 Zn2 -","- C8 H4 O7.75 Zn2 -","- C96 H48 O93 Zn24 -","12","1","","Yang, Huajun; Peng, Fang; Dang, Candy; Wang, Yong; Hu, Dandan; Zhao, Xiang; Feng, Pingyun; Bu, Xianhui","Ligand Charge Separation To Build Highly Stable Quasi-Isomer of MOF-74-Zn.","Journal of the American Chemical Society","2019","141","25","9808","9812","10.1021/jacs.9b04432","","","0.71073","MoKα","","0.044","0.0396","","","0.1329","0.1358","","","","","","1.233","","","","has coordinates","243405","2020-10-21","18:00:00",""
"4301891","11.5693","0.001","11.5693","0.001","56.235","0.01","90","","90","","120","","6518.6","1.4","173","2","173","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C18 H23 Cd N3 O9 -","- C18 H21 Cd N3 O9 -","- C216 H252 Cd12 N36 O108 -","12","1","","Eric Shyu; Ronald M. Supkowski; Robert L. LaDuca","A Chiral Luminescent Coordination Polymer Featuring a Unique 4-Connected Self-Catenated Topology Built from Helical Motifs","Inorganic Chemistry","2009","48","","2723","2725","10.1021/ic900241q","","","0.71073","MoKα","","0.0431","0.0374","","","0.0849","0.0864","","","","","","1.205","","","","has coordinates,has disorder","179056","2020-10-21","18:00:00",""
"4306651","13.684","0.0004","13.684","0.0004","61.78","0.004","90","","90","","120","","10018.5","0.8","173","2","173","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C74 H64 Co3 N8 O15 -","- C74 H64 Co3 N8 O15 -","- C444 H384 Co18 N48 O90 -","6","0.5","","David P. Martin; Richard J. Staples; Robert L. LaDuca","A Chiral Self-Catenated Dual-Ligand Coordination Polymer Constructed from Three Distinct Interwoven Helical Motifs Interconnected by One-Dimensional Chains","Inorganic Chemistry","2008","47","","9754","9756","10.1021/ic801471e","","","0.71073","MoKα","","0.1355","0.051","","","0.1005","0.1159","","","","","","0.856","","","","has coordinates,has disorder","179104","2020-10-21","18:00:00",""
"4308204","14.6465","0.0006","14.6465","0.0006","41.974","0.003","90","","90","","120","","7797.9","0.7","294","2","294","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C26 H14 Cu4 N10 Zn -","- C26 H14 Cu4 N10 Zn -","- C312 H168 Cu48 N120 Zn12 -","12","1","","Shi-Shen Zhang; Shun-Ze Zhan; Mian Li; Rong Peng; Dan Li","A Rare Chiral Self-Catenated Network Formed by Two Cationic and One Anionic Frameworks","Inorganic Chemistry","2007","46","","4365","4367","10.1021/ic070250h","","","0.71073","MoKα","","0.0539","0.0439","","","0.0972","0.1018","","","","","","1.122","","","","has coordinates,has disorder","179120","2020-10-21","18:00:00",""
"4316574","16.5812","0.0011","16.5812","0.0011","28.105","0.004","90","","90","","120","","6691.8","1.1","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C32.5 H34.5 N1.5 O13.5 Zn2 -","- C30 H21 O8 Zn2 -","- C180 H126 O48 Zn12 -","6","0.5","","Xiaoliang Zhao; Haiyan He; Fangna Dai; Daofeng Sun; Yanxiong Ke","Supramolecular Isomerism in Honeycomb Metal-Organic Frameworks Driven by CH...π Interactions: Homochiral Crystallization from an Achiral Ligand through Chiral Inducement","Inorganic Chemistry","2010","49","","8650","8652","10.1021/ic100603g","","","0.71073","MoKα","","0.0927","0.0787","","","0.2129","0.2223","","","","","","1.126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324256","11.348","0.0004","11.348","0.0004","62.182","0.003","90","","90","","120","","6934.8","0.5","295","2","295","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H46 N10 Ni O16.83 -","- C46 H46 N10 Ni O16.832 -","- C276 H276 N60 Ni6 O100.992 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0424","0.0406","","","0.1022","0.1032","","","","","","1.221","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4324257","11.4707","0.0003","11.4707","0.0003","61.655","0.003","90","","90","","120","","7025.5","0.4","295","2","295","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H47.68 Fe N10 O14.84 -","- C46 H46 Fe N10 O14.84 -","- C276 H276 Fe6 N60 O89.04 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0562","0.0543","","","0.1252","0.1262","","","","","","1.171","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324258","11.3686","0.0001","11.3686","0.0001","61.4475","0.0011","90","","90","","120","","6877.79","0.15","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H47.52 Co N10 O14.76 -","- C46 H46 Co N10 O14.766 -","- C276 H276 Co6 N60 O88.596 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0474","0.0459","","","0.1092","0.1101","","","","","","1.159","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324259","11.2927","0.0001","11.2927","0.0001","61.771","0.001","90","","90","","120","","6821.99","0.14","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H47.63 N10 Ni O14.82 -","- C46 H46 N10 Ni O14.816 -","- C276 H276 N60 Ni6 O88.896 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0502","0.046","","","0.1058","0.1081","","","","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324260","11.2004","0.0003","11.2004","0.0003","62.448","0.003","90","","90","","120","","6784.5","0.4","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H46.5 Cu N10 O14.25 -","- C46 H46 Cu N10 O14.25 -","- C276 H276 Cu6 N60 O85.5 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0496","0.0411","","","0.0885","0.0914","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324261","11.1347","0.0003","11.1347","0.0003","60.938","0.003","90","","90","","120","","6543","0.4","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H38 Cu N10 O10 -","- C46 H38 Cu N10 O10 -","- C276 H228 Cu6 N60 O60 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0596","0.0558","","","0.1265","0.1279","","","","","","1.256","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324262","11.365","0.0001","11.365","0.0001","61.51","0.001","90","","90","","120","","6880.42","0.14","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H47.48 N10 O14.74 Zn -","- C46 H46 N10 O14.738 Zn -","- C276 H276 N60 O88.428 Zn6 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0467","0.0443","","","0.1062","0.1076","","","","","","1.136","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324263","11.3835","0.0002","11.3835","0.0002","61.2732","0.0015","90","","90","","120","","6876.3","0.2","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H47.36 Co N10 O16.68 -","- C46 H46 Co N10 O16.681 -","- C276 H276 Co6 N60 O100.086 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0423","0.0378","","","0.0865","0.0886","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4324264","11.4398","0.0004","11.4398","0.0004","58.718","0.005","90","","90","","120","","6654.9","0.7","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H38.64 Co N10 O12.32 -","- C46 H36 Co N10 O12.322 -","- C276 H216 Co6 N60 O73.932 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0645","0.064","","","0.1462","0.1464","","","","","","1.284","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324266","11.2179","0.0001","11.2179","0.0001","62.4758","0.0012","90","","90","","120","","6808.72","0.16","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H46.71 Cu N10 O16.35 -","- C46 H42 Cu N10 O16.353 -","- C276 H252 Cu6 N60 O98.118 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0431","0.0405","","","0.0964","0.0978","","","","","","1.165","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4324267","11.3689","0.0002","11.3689","0.0002","61.3502","0.0016","90","","90","","120","","6867.3","0.2","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H47.36 N10 O16.68 Zn -","- C46 H46 N10 O16.682 Zn -","- C276 H276 N60 O100.092 Zn6 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0389","0.0373","","","0.0895","0.0902","","","","","","1.224","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4326892","9.8993","0.0003","9.8993","0.0003","46.8411","0.0016","90","","90","","120","","3975.3","0.2","100","2","100","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","JW255","","","- C20 H48 Ce N4 O4 -","- C20 H48 Ce N4 O4 -","- C120 H288 Ce6 N24 O24 -","6","0.5","","Helen C. Aspinall; John Bacsa; Anthony C. Jones; Jacqueline S. Wrench; Kate Black; Paul R. Chalker; Peter J. King; Paul Marshall; Matthew Werner; Hywel O. Davies; Rajesh Odedra","Ce(IV) Complexes with Donor-Functionalized Alkoxide Ligands: Improved Precursors for Chemical Vapor Deposition of CeO2","Inorganic Chemistry","2011","50","","11644","11652","10.1021/ic201593s","","","0.71073","MoKα","","0.0244","0.024","","","0.0476","0.0477","","","","","","1.335","","","","has coordinates","301838","2025-08-20","22:17:43",""
"4329096","10.09032","0.00012","10.09032","0.00012","21.25676","0.00038","90","","90","","120","","1874.29","0.05","298","","298","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","catena-4,4'-bipyrazolato-cd(ii) dimethylformamide solvate","","- C9 H11 Cd N5 O -","- C9 H11 Cd N5 O -","- C54 H66 Cd6 N30 O6 -","6","0.5","","Claudio Pettinari; Aurel Tăbăcaru; Ishtvan Boldog; Konstantin V. Domasevitch; Simona Galli; Norberto Masciocchi","Novel Coordination Frameworks Incorporating the 4,4'-Bipyrazolyl Ditopic Ligand","Inorganic Chemistry","2012","51","","5235","5245","10.1021/ic3001416","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330887","10.6892","0.0001","10.6892","0.0001","55.4479","0.0008","90","","90","","120","","5486.64","0.11","293","2","293","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","Mn(II)(pytren) Br2","","","- C26 H52 Br4 Mn2 N10 O4 -","- C26 H52 Br4 Mn2 N10 O4 -","- C156 H312 Br24 Mn12 N60 O24 -","6","0.5","","Salvador Blasco; Joan Cano; M. Paz Clares; Santiago García-Granda; Antonio Doménech; Hermas R. Jiménez; Begoña Verdejo; Francesc Lloret; Enrique García-España","A Binuclear MnIII Complex of a Scorpiand-Like Ligand Displaying a Single Unsupported MnIII-O-MnIII Bridge","Inorganic Chemistry","2012","51","","11698","11706","10.1021/ic3016063","","","0.71073","MoKα","","0.0701","0.0469","","","0.1027","0.1083","","","","","","1.077","","","","has coordinates","301839","2025-08-20","22:57:33",""
"4332735","8.6926","0.0003","8.6926","0.0003","40.452","0.002","90","","90","","120","","2647.1","0.18","150","1","150","1","","","","","","","","7","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C12 H12 Br N4 O3 Re S2 -","- C12 H12 Br N4 O3 Re S2 -","- C72 H72 Br6 N24 O18 Re6 S12 -","6","0.5","","Silva, Rosalice M.; Liddle, Brendan J.; Lindeman, Sergey J.; Smith, Mark D.; Gardinier, James R.","Ligand-Promoted Solvent-Dependent Ionization and Conformational Equilibria of Re(CO)3Br[CH2(S-tim)2] (tim = 1-methylthioimidazolyl). Crystal Structures of Re(CO)3Br[CH2(S-tim)2] and {Re(CO)3(CH3CN)[CH2(S-tim)2]}(PF6)","Inorganic Chemistry","2006","45","17","6794","6802","10.1021/ic060765t","","","0.71073","MoKα","","0.0328","0.0327","","","0.0777","0.0777","","","","","","1.087","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4332753","11.8098","0.0006","11.8098","0.0006","27.279","0.003","90","","90","","120","","3294.9","0.4","273","2","273","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H15 Ag Eu N3 O8 -","- C20 H15 Ag Eu N3 O8 -","- C120 H90 Ag6 Eu6 N18 O48 -","6","0.5","","Gu, Xiaojun; Xue, Dongfeng","Spontaneously Resolved Homochiral 3D Lanthanide−Silver Heterometallic Coordination Framework with Extended Helical Ln−O−Ag Subunits","Inorganic Chemistry","2006","45","23","9257","9261","10.1021/ic060806l","","","0.71073","MoKα","","0.045","0.0308","","","0.0515","0.0556","","","","","","1.026","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332754","11.8241","0.0008","11.8241","0.0008","27.418","0.003","90","","90","","120","","3319.7","0.5","293","2","293","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H15 Ag N3 Nd O8 -","- C20 H15 Ag N3 Nd O8 -","- C120 H90 Ag6 N18 Nd6 O48 -","6","0.5","","Gu, Xiaojun; Xue, Dongfeng","Spontaneously Resolved Homochiral 3D Lanthanide−Silver Heterometallic Coordination Framework with Extended Helical Ln−O−Ag Subunits","Inorganic Chemistry","2006","45","23","9257","9261","10.1021/ic060806l","","","0.71073","MoKα","","0.05","0.0323","","","0.0568","0.0618","","","","","","1.024","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4346355","17.0389","0.0002","17.0389","0.0002","58.1335","0.0009","90","","90","","120","","14616.4","0.3","100","2","100","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C16 H40 B20 N3 O64 V10 -","- C16 H40 B20 N4 O64 V10 -","- C96 H240 B120 N24 O384 V60 -","6","0.5","","Chen, Hong; Zhao, Huishuang; Yu, Zheng-Bao; Wang, Lei; Sun, Licheng; Sun, Junliang","Construct Polyoxometalate Frameworks through Covalent Bonds.","Inorganic chemistry","2015","54","17","8699","8704","10.1021/acs.inorgchem.5b01326","","","0.71073","MoKα","","0.0564","0.0533","","","0.16","0.1631","","","","","","1.072","","","","has coordinates","231742","2020-10-21","18:00:00",""
"4346931","11.3407","0.0014","11.3407","0.0014","27.565","0.007","90","","90","","120","","3070.2","0.9","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H16 N3 O8 Sm Zn -","- C20 H16 N3 O8 Sm Zn -","- C120 H96 N18 O48 Sm6 Zn6 -","6","0.5","","He, Xingxiang; Liu, Ying; Lv, Yun; Dong, Yayu; Hu, Gonghao; Zhou, Shuai; Xu, Yan","L- and D-[LnZn(IN)3(C2H4O2)]n (Ln = Eu, Sm, and Gd): Chiral Enantiomerically 3D 3d-4f Coordination Polymers Constructed by Interesting Butterfly-like Building Units and -[Ln-O-Zn]n- Helices.","Inorganic chemistry","2016","55","5","2048","2054","10.1021/acs.inorgchem.5b02372","","","0.71073","MoKα","","0.0304","0.0249","","","0.0603","0.0626","","","","","","0.877","","","","has coordinates","232069","2020-10-21","18:00:00",""
"4346932","11.3308","0.0008","11.3308","0.0008","27.468","0.004","90","","90","","120","","3054.1","0.5","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H16 Gd N3 O8 Zn -","- C20 H16 Gd N3 O8 Zn -","- C120 H96 Gd6 N18 O48 Zn6 -","6","0.5","","He, Xingxiang; Liu, Ying; Lv, Yun; Dong, Yayu; Hu, Gonghao; Zhou, Shuai; Xu, Yan","L- and D-[LnZn(IN)3(C2H4O2)]n (Ln = Eu, Sm, and Gd): Chiral Enantiomerically 3D 3d-4f Coordination Polymers Constructed by Interesting Butterfly-like Building Units and -[Ln-O-Zn]n- Helices.","Inorganic chemistry","2016","55","5","2048","2054","10.1021/acs.inorgchem.5b02372","","","0.71073","MoKα","","0.0222","0.0207","","","0.0532","0.0537","","","","","","1.028","","","","has coordinates","232070","2020-10-21","18:00:00",""
"4346934","11.2797","0.0005","11.2797","0.0005","27.575","0.003","90","","90","","120","","3038.4","0.4","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H16 Eu N3 O8 Zn -","- C20 H16 Eu N3 O8 Zn -","- C120 H96 Eu6 N18 O48 Zn6 -","6","0.5","","He, Xingxiang; Liu, Ying; Lv, Yun; Dong, Yayu; Hu, Gonghao; Zhou, Shuai; Xu, Yan","L- and D-[LnZn(IN)3(C2H4O2)]n (Ln = Eu, Sm, and Gd): Chiral Enantiomerically 3D 3d-4f Coordination Polymers Constructed by Interesting Butterfly-like Building Units and -[Ln-O-Zn]n- Helices.","Inorganic chemistry","2016","55","5","2048","2054","10.1021/acs.inorgchem.5b02372","","","0.71073","MoKα","","0.0416","0.0352","","","0.0786","0.0807","","","","","","1.03","","","","has coordinates","232072","2020-10-21","18:00:00",""
"4348604","18.6345","0.0019","18.6345","0.0019","21.563","0.004","90","","90","","120","","6484.5","1.5","296","2","296","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C15 H15 Cd0.5 N2 O4 -","- C15 H15 Cd0.5 N2 O4 -","- C180 H180 Cd6 N24 O48 -","12","1","","Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Wang, Jian-Ping; Wang, Yao-Yu; Zhu, Zhonghua","Structural Diversity of Cadmium(II) Coordination Polymers Induced by Tuning the Coordination Sites of Isomeric Ligands.","Inorganic chemistry","2016","55","17","8871","8880","10.1021/acs.inorgchem.6b01416","","","0.71073","MoKα","","0.0979","0.0725","","","0.1957","0.2117","","","","","","0.987","","","","has coordinates","233169","2020-10-21","18:00:00",""
"4350443","10.0719","0.0003","10.0719","0.0003","44.724","0.002","90","","90","","120","","3929.1","0.2","200","2","200","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","[{TcCl3(CH3CN)2}2O]","Mu2-oxobis(diacetonitriletrichlorotechnetium(IV)","","- C8 H12 Cl6 N4 O Tc2 -","- C8 H12 Cl6 N4 O Tc2 -","- C48 H72 Cl36 N24 O6 Tc12 -","6","0.5","","Hagenbach, Adelheid; Yegen, Eda; Abram, Ulrich","Technetium tetrachloride as a precursor for small technetium(IV) complexes.","Inorganic chemistry","2006","45","18","7331","7338","10.1021/ic060896u","","","0.71073","MoKα","","0.0519","0.0466","","","0.1174","0.1206","","","","","","1.091","","","","has coordinates","239897","2020-10-21","18:00:00",""
"4500764","11.3891","0.0006","11.3891","0.0006","26.872","0.003","90","","90","","120","","3018.6","0.4","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H15 Eu Li N3 O8 -","- C20 H15 Eu Li N3 O8 -","- C120 H90 Eu6 Li6 N18 O48 -","6","0.5","","Peng, Guo; Ma, Li; Cai, Jinbiao; Liang, Li; Deng, Hong; Kostakis, George E.","Influence of Alkali Metal Cation (Li(I), Na(I), K(I)) on the Construction of Chiral and Achiral Heterometallic Coordination Polymers","Crystal Growth & Design","2011","11","6","2485","2492","10.1021/cg200255r","","","0.71073","MoKα","","0.0167","0.0157","","","0.0366","0.037","","","","","","1.082","","","","has coordinates","180551","2020-10-21","18:00:00",""
"4500767","11.6202","0.0007","11.6202","0.0007","27.55","0.003","90","","90","","120","","3221.7","0.4","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H15 N3 Na O8 Tb -","- C20 H15 N3 Na O8 Tb -","- C120 H90 N18 Na6 O48 Tb6 -","6","0.5","","Peng, Guo; Ma, Li; Cai, Jinbiao; Liang, Li; Deng, Hong; Kostakis, George E.","Influence of Alkali Metal Cation (Li(I), Na(I), K(I)) on the Construction of Chiral and Achiral Heterometallic Coordination Polymers","Crystal Growth & Design","2011","11","6","2485","2492","10.1021/cg200255r","","","0.71073","MoKα","","0.0239","0.0202","","","0.0422","0.0433","","","","","","1.063","","","","has coordinates","180551","2020-10-21","18:00:00",""
"4500807","11.4799","0.0014","11.4799","0.0014","14.735","0.003","90","","90","","120","","1681.7","0.4","298","2","298","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C7 H3 Mg N O5 -","- C7 H3 Mg N O5 -","- C42 H18 Mg6 N6 O30 -","6","0.5","","Banerjee, Debasis; Finkelstein, Jeffrey; Smirnov, A.; Forster, Paul M.; Borkowski, Lauren A.; Teat, Simon J.; Parise, John B.","Synthesis and Structural Characterization of Magnesium Based Coordination Networks in Different Solvents","Crystal Growth & Design","2011","11","6","2572","","10.1021/cg200327y","","","0.71073","MoKα","","0.0275","0.0251","","","0.0711","0.0719","","","","","","1.128","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501216","18.3733","0.0005","18.3733","0.0005","73.386","0.002","90","","90","","120","","21454.5","1","296","2","296","2","","","","","","","","8","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C54 H116 Fe12 K5 N4 Na3 O118 Sb12 -","- C48 Fe11.774 K5 Na3 O169.33 Sb12 -","- C288 Fe70.644 K30 Na18 O1015.98 Sb72 -","6","0.5","","Gao, Qiang; Wang, Xiqu; Conato, Marlon T.; Makarenko, Tatyana; Jacobson, Allan J.","Microporous, Homochiral Structures Containing Iron Oxo-Clusters Supported by Antimony(III) Tartrate Scaffolds","Crystal Growth & Design","2011","11","10","4632","","10.1021/cg200899w","","","0.71073","MoKα","","0.1196","0.1082","","","0.275","0.2839","","","","","","1.117","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501724","10.6693","0.0003","10.6693","0.0003","38.8144","0.001","90","","90","","120","","3826.44","0.18","200.1","","200","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C23 H21 Cl2 N5 O8 -","- C23 H21 Cl2 N5 O8 -","- C138 H126 Cl12 N30 O48 -","6","0.5","","Matsumoto, Kouzou; Inokuchi, Daisuke; Hirao, Yasukazu; Kurata, Hiroyuki; Kubo, Takashi","Hydrogen-Bonded Quartz-type Network of Diprotonated Tetrakis(4-pyridyl)methane Dications","Crystal Growth & Design","2010","10","7","2854","","10.1021/cg1003353","","","0.71075","MoKα","","","0.0646","","","","0.197","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504188","16.669","0.002","16.669","0.002","19.018","0.004","90","","90","","120","","4576.3","1.2","150","2","150","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C27 H43 N O2 P2 Pd -","- C27.16 H43 N O2 P2 Pd -","- C162.96 H258 N6 O12 P12 Pd6 -","6","0.5","","Johansson, Roger; Öhrström, Lars; Wendt, Ola F.","Hydrogen Bond Control of Dimensionality in Organometallic {2,6-Bis[(di-t-butylphosphino)methyl]phenyl}palladium(II) Compounds: Dimers, Chains, and a 3D-Net with an Apparent Channel Structure","Crystal Growth & Design","2007","7","10","1974","","10.1021/cg060913q","","","0.71073","MoKα","","0.0596","0.0377","","","0.0929","0.0994","","","","","","0.953","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4508912","16.0503","0.0015","16.0503","0.0015","36.843","0.007","90","","90","","120","","8219.6","1.9","90","2","90","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C15 H14 Cu N3 O9.63 -","- C15 H14 Cu N3 O9.63 -","- C180 H168 Cu12 N36 O115.56 -","12","1","","Luisi, Brian S.; Kravtsov, Victor Ch.; Moulton, Brian D.","An (8,3)-a 3D Coordination Network and Concomitant Three-Connected Supramolecular Isomers","Crystal Growth & Design","2006","6","10","2207","","10.1021/cg060534x","","","0.71073","MoKα","","0.2243","0.1951","","","0.4607","0.4766","","","","","","1.94","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4509964","18.615","0.003","18.615","0.003","29.464","0.006","90","","90","","120","","8842","3","298","2","298","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H16 N2 O4 Zn -","- C24 H16 N2 O4 Zn -","- C288 H192 N24 O48 Zn12 -","12","1","","Dai, Ming; Su, Xin-Ran; Wang, Xiao; Wu, Bing; Ren, Zhi-Gang; Zhou, Xuan; Lang, Jian-Ping","Three Zinc(II) Coordination Polymers Based on Tetrakis(4-pyridyl)cyclobutane and Naphthalenedicarboxylate Linkers: Solvothermal Syntheses, Structures, and Photocatalytic Properties","Crystal Growth & Design","2014","14","1","240","","10.1021/cg4014416","","","1.54178","CuKα","","0.0494","0.0437","","","0.1267","0.1363","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510661","9.132637","0.00007","9.132637","0.00007","23.09972","0.00024","90","","90","","120","","1668.51","0.03","298","","298","","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","catena-3,3',5,5'-tetramethyl-4,4'-bipyrazolato-cd(ii)","","- C10 H12 Cd N4 -","- C9 H12 Cd N4 -","- C54 H72 Cd6 N24 -","6","0.5","","Tăbăcaru, Aurel; Pettinari, Claudio; Timokhin, Ivan; Marchetti, Fabio; Carrasco-Marín, Francisco; Maldonado-Hódar, Francisco José; Galli, Simona; Masciocchi, Norberto","Enlarging an Isoreticular Family: 3,3′,5,5′-Tetramethyl-4,4′-bipyrazolato-Based Porous Coordination Polymers","Crystal Growth & Design","2013","13","7","3087","","10.1021/cg400495w","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512736","11.3128","0.0016","11.3128","0.0016","34.111","0.007","90","","90","","120","","3780.6","1.1","293","2","293","2","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H26 Cu N6 O9 -","- C20 H26 Cu N6 O9 -","- C120 H156 Cu6 N36 O54 -","6","0.5","","Guedes, Guilherme P.; Santos, Igor F.; Mercante, Luiza A.; Speziali, Nivaldo L.; Resende, Jackson A. L. C.; Bernardino, Alice M. R.; Andruh, Marius; Vaz, Maria G. F.","A New Quartz-like Metal‒Organic Framework Constructed from a Versatile Pyrazole-Based Spacer","Crystal Growth & Design","2015","15","3","1027","","10.1021/cg5018328","","x-ray","1.54184","CuKα","","0.0267","0.025","","","0.0668","0.068","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4515370","13.841","0.004","13.841","0.004","47.743","0.014","90","","90","","120","","7921","4","296","2","296","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C18 H10 Ba2 N2 O11 -","- C18 H10 Ba2 N2 O11 -","- C216 H120 Ba24 N24 O132 -","12","1","","Li, Xiu-Yuan; Ma, Li-Na; Liu, Yang; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","Honeycomb Metal-Organic Framework with Lewis Acidic and Basic Bifunctional Sites: Selective Adsorption and CO<sub>2</sub> Catalytic Fixation.","ACS applied materials & interfaces","2018","10","13","10965","10973","10.1021/acsami.8b01291","","","0.71073","MoKα","","0.0755","0.0661","","","0.1503","0.156","","","","","","1.096","","","","has coordinates","225523","2020-10-21","18:00:00",""
"5000005","5.422","","5.422","","56.275","","90","","90","","120","","1432.73","","","","","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C6 H12 N2 O4 S2 -","- C12 H24 N4 O8 S4 -","- C72 H144 N24 O48 S24 -","6","0.5","","Oughton, B. M.; Harrison, P. M.","The crystal structure of hexagonal L-cystine","Acta Crystallographica","1959","12","5","396","404","10.1107/S0365110X59001177","","","","","","","","","","","","","","","","","","","","","has coordinates","175294","2020-10-21","18:00:00",""
"6000558","5.0782","","5.0782","","15.4524","","90","","90","","120","","345.1","","","","","","","","","","","","","2","P 61 2 2","","","","","","- Ag F3 -","","","","","","Zemva, B.; Lutar, K.; Jesih, A.; Casteel, W. J.; Wilkinson, A. P.; Cox, D. E.; Vondreele, R. B.; Borrmann, H.; Bartlett, N.","Silver trifluoride - preparation, crystal-structure, some properties, and comparison with AuF3","Journal of The American Chemical Society","1991","113","","4192","4198","10.1021/ja00011a021","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000559","5.1508","","5.1508","","16.2637","","90","","90","","120","","373.68","","","","","","","","","","","","","2","P 61 2 2","","","","","","- Au F3 -","","","","","","Zemva, B.; Lutar, K.; Jesih, A.; Casteel, W. J.; Wilkinson, A. P.; Cox, D. E.; Vondreele, R. B.; Borrmann, H.; Bartlett, N.","Silver trifluoride - preparation, crystal-structure, some properties, and comparison with AuF3","Journal of The American Chemical Society","1991","113","","4192","4198","10.1021/ja00011a021","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7013059","15.3286","0.0001","15.3286","0.0001","18.7066","0.0001","90","","90","","120","","3806.54","0.04","293","2","293","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C8 H28 Mo2 N O26 Sm -","- C8 H4 Mo2 N O26 Sm -","- C48 H24 Mo12 N6 O156 Sm6 -","6","0.5","","Wu, Chuan-De; Lu, Can-Zhong; Lu, Shao-Fang; Zhuang, Hong-Hui; Huang, Jin-Shun","Synthesis, structures and properties of a series of novel left- and right-handed metal coordination double helicates with chiral channels","Dalton Transactions","2003","","16","3192","","10.1039/b303943a","","","0.71073","MoKα","","","0.0265","","","0.0654","0.0675","","","","","","1.095","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7018952","10.4302","0.0002","10.4302","0.0002","55.1896","0.0013","90","","90","","120","","5199.64","0.19","130","1","130","1","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C18 H20 Cs3 Eu N6 O19 -","- C18 H18 Cs3 Eu N6 O19 -","- C108 H108 Cs18 Eu6 N36 O114 -","6","0.5","","Moore, Evan G.","A comparison of sensitized Ln(iii) emission using pyridine- and pyrazine-2,6-dicarboxylates.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5272","5279","10.1039/c2dt30062a","","","0.71073","MoKα","","0.0869","0.0865","","","0.2081","0.2083","","","","","","1.311","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019294","14.19","0.0011","14.19","0.0011","42.2","0.004","90","","90","","120","","7358.8","1.1","100","2","100","2","","","","","","","","8","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C47 H42 Cl2 F12 N6 O2 P2 Pd2 -","- C47 H42 Cl2 F12 N6 O2 P2 Pd2 -","- C282 H252 Cl12 F72 N36 O12 P12 Pd12 -","6","0.5","","Meduri, Angelo; Cozzula, Daniela; D'Amora, Angela; Zangrando, Ennio; Gladiali, Serafino; Milani, Barbara","Unique syndio-selectivity in CO/styrene copolymerization reaction catalyzed by palladium complexes with 2-(2'-oxazolinyl)-1,10-phenanthrolines.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7474","7484","10.1039/c2dt30157a","","","1","synchrotron","","0.0285","0.0284","","","0.0713","0.0714","","","","","","1.056","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7022867","16.3363","0.0004","16.3363","0.0004","19.1594","0.0005","90","","90","","120","","4428.13","0.19","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H43 Cl P2 Pd -","- C24 H43 Cl P2 Pd -","- C144 H258 Cl6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0303","0.0279","","","0.0943","0.0957","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022869","16.4782","0.0002","16.4782","0.0002","19.2576","0.0003","90","","90","","120","","4528.48","0.1","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C144 H258 Br6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0293","0.0258","","","0.0881","0.0969","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022870","16.5002","0.0003","16.5002","0.0003","19.1805","0.0002","90","","90","","120","","4522.4","0.13","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C144 H258 Br6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0344","0.0286","","","0.0901","0.1019","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022872","16.4706","0.0003","16.4706","0.0003","19.2727","0.0004","90","","90","","120","","4527.85","0.15","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C144 H258 Br6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0423","0.0356","","","0.1138","0.1237","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022874","16.5479","0.0002","16.5479","0.0002","19.6062","0.0004","90","","90","","120","","4649.54","0.12","295","2","295","2","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C144 H258 Br6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","1.54184","CuKα","","0.0385","0.0362","","","0.114","0.1163","","","","","","0.996","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022875","16.4359","0.0007","16.4359","0.0007","19.285","0.001","90","","90","","120","","4511.7","0.4","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C144 H258 Br6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0832","0.0554","","","0.1439","0.1643","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022876","16.4222","0.0006","16.4222","0.0006","19.3446","0.0004","90","","90","","120","","4518.1","0.3","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C144 H258 Br6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0813","0.0558","","","0.1037","0.1121","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022883","16.3541","0.0003","16.3541","0.0003","19.1791","0.0005","90","","90","","120","","4442.34","0.16","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H43 Cl P2 Pd -","- C24 H43 Cl P2 Pd -","- C144 H258 Cl6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0575","0.0446","","","0.1299","0.1429","","","","","","0.981","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022886","16.366","0.0002","16.366","0.0002","19.1996","0.0003","90","","90","","120","","4453.57","0.1","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H43 Cl P2 Pd -","- C24 H43 Cl P2 Pd -","- C144 H258 Cl6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0378","0.0326","","","0.1013","0.1054","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022887","16.4632","0.0001","16.4632","0.0001","19.2709","0.0002","90","","90","","120","","4523.36","0.06","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C144 H258 Br6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0246","0.0224","","","0.054","0.0548","","","","","","0.981","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7025058","9.504","0.004","9.504","0.004","27.012","0.013","90","","90","","120","","2113","1.6","298","2","298","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C10 H16 Fe N3 O8 -","- C10 H16 Fe N3 O8 -","- C60 H96 Fe6 N18 O48 -","6","0.5","","Chmel, Nikola Paul; Howson, Suzanne E.; Allan, Laura E. N.; Barker, James; Clarkson, Guy J.; Turner, Scott S.; Scott, Peter","Organic-soluble optically pure anionic metal complexes PPh4[M(III)(S,S-EDDS)].2H2O (M = Fe, Co, Cr).","Dalton transactions (Cambridge, England : 2003)","2010","39","11","2919","2927","10.1039/b924787d","","","0.71073","MoKα","","0.0522","0.0382","","","0.098","0.1011","","","","","","1.066","","","","has coordinates","301848","2025-08-21","12:23:46",""
"7028412","9.11609","0.00012","9.11609","0.00012","50.8316","0.0009","90","","90","","120","","3658.32","0.09","293","2","293","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C21 H22 Br2 Cl2 N4 Ni -","- C21 H22 Br2 Cl2 N4 Ni -","- C126 H132 Br12 Cl12 N24 Ni6 -","6","0.5","","Zhu, Liang; Fu, Zhi-Sheng; Pan, Hui-Jie; Feng, Wei; Chen, Changle; Fan, Zhi-Qiang","Synthesis and application of binuclear α-diimine nickel/palladium catalysts with a conjugated backbone.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2900","2906","10.1039/c3dt51782a","","","1.54184","CuKα","","0.0297","0.0283","","","0.0666","0.0673","","","","","","1.118","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7035189","13.5188","0.0016","13.5188","0.0016","33.888","0.006","90","","90","","120","","5363.6","1.3","173","2","173","2","","","","","","","","7","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C36 H34 Cl2 F10 N2 O2 Ti -","- C36 H34 Cl2 F10 N2 O2 Ti -","- C216 H204 Cl12 F60 N12 O12 Ti6 -","6","0.5","","Ma, Yuguo; Lobkovsky, Emil B.; Coates, Geoffrey W.","Titanium(iv) catalysts with ancillary imino-spiroketonato ligands: synthesis, structure and olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12265","12272","10.1039/c5dt01104c","","","0.71073","MoKα","","0.0629","0.0422","","","0.0788","0.0836","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7050582","12.5741","0.0006","12.5741","0.0006","60.399","0.004","90","","90","","120","","8270.2","0.8","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","matze Tb","","","- C48 H38 N8 Na2 O19 Tb2 -","- C48 H32 N8 Na2 O19 Tb2 -","- C288 H192 N48 Na12 O114 Tb12 -","6","0.5","","Sendor, Dorota; Hilder, Matthias; Juestel, Thomas; Junk, Peter C.; Kynast, Ulrich H.","One dimensional energy transfer in lanthanoid picolinates. Correlation of structure and spectroscopy","New Journal of Chemistry","2003","27","7","1070","","10.1039/b302499g","","","0.71073","MoKα","","0.0652","0.0604","","","0.1536","0.1569","","","","","","1.077","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7102278","26.712","0.004","26.712","0.004","15.919","0.003","90","","90","","120","","9837","3","133","2","133","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C31 H38 Cd N3 O8 -","- C21 H12 Cd O6 -","- C252 H144 Cd12 O72 -","12","1","","Hao, Xiang-Rong; Wang, Xin-Long; Qin, Chao; Su, Zhong-Min; Wang, En-Bo; Lan, Ya-Qian; Shao, Kui-Zhan","A 3D chiral nanoporous coordination framework consisting of homochiral nanotubes assembled from octuple helices.","Chemical communications (Cambridge, England)","2007","","44","4620","4622","10.1039/b711405b","","","0.71073","MoKα","","0.0783","0.0384","","","0.0798","0.0848","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7103218","11.9773","0.0008","11.9773","0.0008","71.426","0.009","90","","90","","120","","8873.7","1.4","100","2","100","2","","","","","","","","8","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C35 H72 Ce Cl2 Co2 Cr2 O25 P6 -","- C35 H72 Ce Cl2 Co2 Cr2 O25 P6 -","- C210 H432 Ce6 Cl12 Co12 Cr12 O150 P36 -","6","0.5","","Yi, Xiao-Yi; Y Sung, Herman H; Williams, Ian D; Leung, Wa-Hung","Cerium(IV)-containing oxomolybdenum cluster with a unique Ce6Mo9O38 core structure.","Chemical communications (Cambridge, England)","2008","","28","3269","3271","10.1039/b800176f","","","0.71073","MoKα","","0.0858","0.0643","","","0.1203","0.1274","","","","","","1.011","","","","has coordinates,has disorder","180134","2020-10-21","18:00:00",""
"7104949","11.2004","0.0003","11.2004","0.0003","62.448","0.003","90","","90","","120","","6784.4","0.4","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H46.5 Cu N10 O14.25 -","- C46 H46 Cu N10 O14.25 -","- C276 H276 Cu6 N60 O85.5 -","6","0.5","","Reger, Daniel L; Horger, Jacob; Smith, Mark D; Long, Gary J","Homochiral, helical metal-organic framework structures organized by strong, non-covalent pi-pi stacking interactions.","Chemical communications (Cambridge, England)","2009","","41","6219","6221","10.1039/b916742k","","","0.71073","MoKα","","0.0496","0.0411","","","0.0885","0.0914","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7104950","11.1347","0.0003","11.1347","0.0003","60.938","0.003","90","","90","","120","","6543","0.4","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H38 Cu N10 O10 -","- C46 H38 Cu N10 O10 -","- C276 H228 Cu6 N60 O60 -","6","0.5","","Reger, Daniel L; Horger, Jacob; Smith, Mark D; Long, Gary J","Homochiral, helical metal-organic framework structures organized by strong, non-covalent pi-pi stacking interactions.","Chemical communications (Cambridge, England)","2009","","41","6219","6221","10.1039/b916742k","","","0.71073","MoKα","","0.0596","0.0558","","","0.1265","0.1279","","","","","","1.256","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109713","16.0598","0.0006","16.0598","0.0006","21.0558","0.0015","90","","90","","120","","4703.1","0.4","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C26 H23 Cd N9 O7 -","- C26 H19 Cd N9 O7 -","- C156 H114 Cd6 N54 O42 -","6","0.5","","Kaiju Wei; Jia Ni; Yuanzeng Min; Siming Chen; Yangzhong Liu","Unexpected helicity control and helix inversion: homochiral helical nanotubes consisting of an achiral ligand","Chem.Commun.","2013","49","","8220","","10.1039/c3cc43898h","","","0.71073","MoKα","","0.1052","0.0708","","","0.1778","0.2107","","","","","","1.147","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109714","15.7763","0.0004","15.7763","0.0004","20.7324","0.0008","90","","90","","120","","4468.8","0.2","173","2","173","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C28 H26 Cd N10 O7 -","- C28 H26 Cd N10 O7 -","- C168 H156 Cd6 N60 O42 -","6","0.5","","Kaiju Wei; Jia Ni; Yuanzeng Min; Siming Chen; Yangzhong Liu","Unexpected helicity control and helix inversion: homochiral helical nanotubes consisting of an achiral ligand","Chem.Commun.","2013","49","","8220","","10.1039/c3cc43898h","","","0.71073","MoKα","","0.0418","0.0364","","","0.0915","0.0997","","","","","","1.188","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7110352","19.928","0.003","19.928","0.003","78.862","0.016","90","","90","","120","","27122","8","100","2","100","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C81 H94 Cd2 N7 O23 -","- C72 H56 Cd2 N4 O20 -","- C864 H672 Cd24 N48 O240 -","12","1","","Boer, Stephanie A.; Hawes, Chris S.; Turner, David R.","Engineering entanglement: controlling the formation of polycatenanes and polyrotaxanes using π interactions","Chemical Communications (Cambridge, United Kingdom)","2014","50","9","1125","1127","10.1039/c3cc48802k","","","0.7108","Synchrotron","","0.0832","0.0765","","","0.2101","0.2175","","","","","","1.029","","","","has coordinates","210842","2020-10-21","18:00:00",""
"7125122","44.2485","0.0001","44.2485","0.0001","28.4446","0.0001","90","","90","","120","","48231.1","0.2","100","2","100","2","","","","","","","","9","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C94 H168 Au9 Co6 N18 Na2 O50 S18 Zn -","- C94 H168 Au9 Co6 N18 Na2 O50 S18 Zn -","- C564 H1008 Au54 Co36 N108 Na12 O300 S108 Zn6 -","6","0.5","","Surinwong, Sireenart; Yoshinari, Nobuto; Kojima, Tatsuhiro; Konno, Takumi","A drastic change in the superhydrophilic crystal porosities of metallosupramolecular structures via a slight change in pH.","Chemical communications (Cambridge, England)","2016","52","87","12893","12896","10.1039/c6cc06943f","","","0.7","synchrotron","","0.074","0.0627","","","0.1622","0.1702","","","","","","1.056","","","","has coordinates","234533","2020-10-21","18:00:00",""
"7125318","23.3698","0.0013","23.3698","0.0013","89.848","0.003","90","","90","","120","","42496","4","293","2","293","2","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","R-CHDA-FRP-8","R-CHDA-FRP-8","","- C96 H108 N12 -","- C96 H108 N12 -","- C1728 H1944 N216 -","18","1.5","","Zhang, Pei; Wang, Xinchang; Xuan, Wei; Peng, Pixian; Li, Zhihao; Lu, Ruqiang; Wu, Shuang; Tian, Zhongqun; Cao, Xiaoyu","Chiral separation and characterization of triazatruxene-based face-rotating polyhedra: the role of non-covalent facial interactions.","Chemical communications (Cambridge, England)","2018","54","37","4685","4688","10.1039/c8cc02049c","","","1.54178","CuKα","","0.141","0.102","","","0.2755","0.3379","","","","","","1.005","","","","has coordinates,has disorder","301860","2025-08-22","09:26:37",""
"7130782","17.3621","","17.3621","","24.0711","","90","","90","","120","","6283.93","","298","","298","","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","qtz ZIF-8","qtz [Zn(mIm)2]","qtz","- C192 H240 N96 Zn24 -","- C16 H20 N8 Zn2 -","- C192 H240 N96 Zn24 -","12","1","","Thorne, Michael Francis; Castillo Blas, Celia; McHugh, Lauren Nicole; Bumstead, Alice M.; Robertson, Georgina; Sapnik, Adam; Coates, Chloe Simone; Sayed, Farheen N.; Grey, Clare P.; Keen, David A.; Etter, Martin; da Silva, Ivan; Užarević, Krunoslav; Bennett, Thomas Douglas","Formation of new crystalline qtz-[Zn(mIm)2] polymorph from amorphous ZIF-8","Chemical Communications","2022","","","","","10.1039/D2CC04241J","powder diffraction","","0.82697","synchrotron","","","","","","","","","","","","","","","","","has coordinates","278276","2022-09-30","21:50:58",""
"7130919","8.297","0.0004","8.297","0.0004","59.074","0.003","90","","90","","120","","3521.8","0.3","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C168 H132 N12 O24 S12 -","12","1","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.0507","0.0464","","","0.1516","0.1583","","","","","","0.601","","","","has coordinates","278817","2022-10-26","22:14:30",""
"7131208","11.8995","0.0009","11.8995","0.0009","29.636","0.004","90","","90","","120","","3634.2","0.6","210","","210","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C8 H15 F N2 O20 Si10 -","- C8 H15 F N2 O20 Si10 -","- C48 H90 F6 N12 O120 Si60 -","6","0.5","","Jiao, Feng; Zhang, Jun; Cai, Xianshu; Li, Hao; Xu, Yanan; Zhao, Yue; Du, Hongbin","A fluoride-free siliceous STW-type zeolite synthesized using a designed organic structure-directing agent.","Chemical communications (Cambridge, England)","2023","59","12","1649","1652","10.1039/d2cc05850b","","x-ray","1.34139","GaKα","","0.0758","0.0516","","","0.1211","0.1305","","","","","","1.057","","","","has coordinates,has disorder","283134","2023-05-05","00:40:30",""
"7133925","11.9887","0.0005","11.9887","0.0005","39.3782","0.0015","90","","90","","120","","4901.5","0.3","123","2","123","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C37 H14 Cl8 F6 -","- C37 H14 Cl8 F6 -","- C222 H84 Cl48 F36 -","6","0.5","","Imoto, Daiki; Shudo, Hiroki; Mizukami, Kiichi; Kimizuka, Nobuo; Yagi, Akiko; Itami, Kenichiro","Synthesis and size-dependent properties of multiple sizes of chlorinated fluorocycloparaphenylenes.","Chemical communications (Cambridge, England)","2024","60","86","12585","12588","10.1039/d4cc03336a","","x-ray","0.71073","MoKα","","0.0586","0.0458","","","0.1023","0.1067","","","","","","1.038","","","","has coordinates","295741","2024-11-04","05:49:26",""
"7200811","11.5503","0.0002","11.5503","0.0002","32.9751","0.0017","90","","90","","120","","3809.8","0.2","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H28 Cu N2 O6 -","- C29 H28 Cu N2 O6 -","- C174 H168 Cu6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","1.54178","CuKα","","0.0377","0.032","","","0.0864","0.0891","","","","","","1.079","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200815","11.5654","0.0008","11.5654","0.0008","32.789","0.002","90","","90","","120","","3798.2","0.4","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H28 Fe N2 O6 -","- C29 H28 Fe N2 O6 -","- C174 H168 Fe6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0725","0.0422","","","0.1006","0.1107","","","","","","1.051","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200817","11.5834","0.0017","11.5834","0.0017","33.052","0.01","90","","90","","120","","3840.6","1.4","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H28 Co N2 O6 -","- C29 H28 Co N2 O6 -","- C174 H168 Co6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.1003","0.0537","","","0.1102","0.1282","","","","","","1.046","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200819","11.4711","0.0001","11.4711","0.0001","33.0791","0.0004","90","","90","","120","","3769.59","0.07","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H28 N2 Ni O6 -","- C29 H28 N2 Ni O6 -","- C174 H168 N12 Ni6 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","1.54184","CuKα","","0.0456","0.0323","","","0.0629","0.0649","","","","","","0.926","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200821","11.6056","0.001","11.6056","0.001","33.043","0.005","90","","90","","120","","3854.3","0.7","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H28 N2 O6 Zn -","- C29 H28 N2 O6 Zn -","- C174 H168 N12 O36 Zn6 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0697","0.0506","","","0.1112","0.1196","","","","","","1.026","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7201114","6.9851","0.0004","6.9851","0.0004","29.362","0.003","90","","90","","120","","1240.68","0.16","293","2","293","2","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C54 H72 O12 -","6","0.5","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Butkus, Eugenijus; Wendt, Ola F.; Öhrström, Lars; Wärnmark, Kenneth","Network analysis of bicyclo[3.3.1]nonanes: the diol, the dione and the acetal","CrystEngComm","2009","11","9","1837","","10.1039/b905122h","","","0.71073","MoKα","","0.1051","0.0368","","","0.0748","0.0842","","","","","","1.018","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7202856","12.7819","0.0006","12.7819","0.0006","85.294","0.004","90","","90","","120","","12068.1","1","100","2","100","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C42 H72 N Nd7 O61 -","- C42 H40 N Nd7 O60 -","- C252 H240 N6 Nd42 O360 -","6","0.5","","Pierre Thuéry","Neodymium(iii) d(?)-citramalate: a chiral three-dimensional framework with water-filled channels","CrystEngComm","2007","9","6","460","","10.1039/b703230g","","","0.71073","MoKα","","0.081","0.0516","","","0.1146","0.1266","","","","","","0.993","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7206898","9.6221","0.0002","9.6221","0.0002","48.4414","0.0013","90","","90","","120","","3884.07","0.15","120","2","120","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C25 H24 Co N4 O5 -","- C25 H24 Co N4 O5 -","- C150 H144 Co6 N24 O30 -","6","0.5","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0441","0.0371","","","0.0849","0.0874","","","","","","1.066","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206901","9.6491","0.0002","9.6491","0.0002","48.258","0.002","90","","90","","120","","3891.1","0.2","120","2","120","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C25 H24 N4 O5 Zn -","- C25 H24 N4 O5 Zn -","- C150 H144 N24 O30 Zn6 -","6","0.5","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0627","0.0604","","","0.1501","0.1511","","","","","","1.198","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7207705","16.5126","0.0007","16.5126","0.0007","24.5098","0.0014","90","","90","","120","","5787.6","0.5","293","2","293","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C27 H17 Ce O7 -","- C27 H15 Ce O6 -","- C162 H90 Ce6 O36 -","6","0.5","","Lin, Zhongjun; Zou, Ruqiang; Liang, Jie; Xia, Wei; Xia, Dingguo; Wang, Yingxia; Lin, Jianhua; Hu, Tongliang; Chen, Qiang; Wang, Xidong; Zhao, Yusheng; Burrell, Anthony K.","Pore size-controlled gases and alcohols separation within ultramicroporous homochiral lanthanide‒organic frameworks","Journal of Materials Chemistry","2012","22","16","7813","","10.1039/c2jm16324a","","","0.71073","MoKα","","0.0652","0.0553","","","0.1479","0.1528","","","","","","1.065","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207706","16.5126","0.0007","16.5126","0.0007","24.5098","0.0014","90","","90","","120","","5787.6","0.5","293","2","293","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C27 H17 Ce O7 -","- C27 H15 Ce O7 -","- C162 H90 Ce6 O42 -","6","0.5","","Lin, Zhongjun; Zou, Ruqiang; Liang, Jie; Xia, Wei; Xia, Dingguo; Wang, Yingxia; Lin, Jianhua; Hu, Tongliang; Chen, Qiang; Wang, Xidong; Zhao, Yusheng; Burrell, Anthony K.","Pore size-controlled gases and alcohols separation within ultramicroporous homochiral lanthanide‒organic frameworks","Journal of Materials Chemistry","2012","22","16","7813","","10.1039/c2jm16324a","","","0.71073","MoKα","","0.0794","0.0659","","","0.2041","0.2175","","","","","","1.142","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207980","13.9773","0.0008","13.9773","0.0008","18.263","0.002","90","","90","","120","","3089.9","0.4","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C9 H13 Cu0.5 N2.5 O2 -","- C9 H13 Cu0.5 N2.5 O2 -","- C108 H156 Cu6 N30 O24 -","12","1","","Cheng, Lin; Zhang, Limin; Gou, Shaohua; Cao, Qingna; Wang, Jianquan; Fang, Lei","Metal-directed one-dimensional chiral zigzag chains and right-handed 61 helix with multiple chiral components: luminescence and NLO properties","CrystEngComm","2012","14","11","3888","","10.1039/c2ce25043h","","","0.71073","MoKα","","0.0515","0.0421","","","0.1163","0.1258","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212923","11.4858","0.0017","11.4858","0.0017","14.756","0.003","90","","90","","120","","1685.9","0.5","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","Mg-MOF-1","","","- C7 H3 Mg N O5 -","- C7 H3 Mg N O5 -","- C42 H18 Mg6 N6 O30 -","6","0.5","","Mallick, Arijit; Saha, Subhadeep; Pachfule, Pradip; Roy, Sudip; Banerjee, Rahul","Selective CO2 and H2 adsorption in a chiral magnesium-based metal organic framework (Mg-MOF) with open metal sites","Journal of Materials Chemistry","2010","20","41","9073","","10.1039/c0jm01125h","","","0.71073","MoKα","","0.0757","0.0752","","","0.2331","0.2337","","","","","","1.237","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7215092","16.4393","0.0003","16.4393","0.0003","23.777","0.0009","90","","90","","120","","5564.9","0.3","296","2","296","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C27 H17 O7 Pr -","- C27 H15 O7 Pr -","- C162 H90 O42 Pr6 -","6","0.5","","Lin, Zhongjun; Zou, Ruqiang; Xia, Wei; Chen, Liangjie; Wang, Xidong; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua; Burrell, Anthony K.","Ultrasensitive sorption behavior of isostructural lanthanide‒organic frameworks induced by lanthanide contraction","Journal of Materials Chemistry","2012","22","39","21076","","10.1039/c2jm33884j","","","0.71073","MoKα","","0.0452","0.0353","","","0.0899","0.0934","","","","","","0.983","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215093","16.4393","0.0003","16.4393","0.0003","23.777","0.0009","90","","90","","120","","5564.9","0.3","296","2","296","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C33 H31 N2 O9 Pr -","- C33 H15 N2 O9 Pr -","- C198 H90 N12 O54 Pr6 -","6","0.5","","Lin, Zhongjun; Zou, Ruqiang; Xia, Wei; Chen, Liangjie; Wang, Xidong; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua; Burrell, Anthony K.","Ultrasensitive sorption behavior of isostructural lanthanide‒organic frameworks induced by lanthanide contraction","Journal of Materials Chemistry","2012","22","39","21076","","10.1039/c2jm33884j","","","0.71073","MoKα","","0.0897","0.0707","","","0.1949","0.2072","","","","","","1.443","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7223612","16.5478","0.001","16.5478","0.0012","12.4353","0.0015","90","","90","","120","","2949","0.5","173","2","173","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C16 H15 Ag2 N3 O6 -","- C16 H15 Ag2 N3 O6 -","- C96 H90 Ag12 N18 O36 -","6","0.5","","Zhang, Ting; Huang, Hua-Qi; Cheng, Xiao-Yue; Guo, Dong; Mei, Hong-Xin; Huang, Rong-Bin; Zheng, Lan-Sun","The synthesis and chiral crystal structures of two enantiomers of a Ag helical coordination polymer based on argentophilicity","CrystEngComm","2016","18","5","670","","10.1039/C5CE01948F","","","0.71073","MoKα","","0.0618","0.056","","","0.1504","0.1542","","","","","","1.097","","","","has coordinates","175966","2020-10-21","18:00:00",""
"7234918","9.8247","0.0004","9.8247","0.0004","32.973","0.002","90","","90","","120","","2756.3","0.2","298","","298","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C18 H24 Cl2 Cu N4 -","- C18 H24 Cl2 Cu N4 -","- C108 H144 Cl12 Cu6 N24 -","6","0.5","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0333","0.0322","","","0.0783","0.0789","","","","","","1.174","","","","has coordinates","223240","2020-10-21","18:00:00",""
"7236040","8.449","0.0005","8.449","0.0005","57.241","0.003","90","","90","","120","","3538.7","0.3","120","2","120","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H22 Co N6 O7 -","- C24 H22 Co N6 O7 -","- C144 H132 Co6 N36 O42 -","6","0.5","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Design of chiral Co(ii)-MOFs and their application in environmental remediation and waste water treatment","RSC Advances","2016","6","30","25149","","10.1039/C5RA26154F","","","0.71073","MoKα","","0.1036","0.0658","","","0.1483","0.1729","","","","","","1.111","","","","has coordinates","233857","2020-10-21","18:00:00",""
"7236669","12.19692","0.00022","12.19692","","30.1482","0.0007","90","","90","","120","","3884.12","0.11","300","","300","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","HPM-1","STW zeolite","","- C9 F Ge5.36 N2 O20 Si4.64 -","- C9 F Ge5.358 N2 O20 Si4.642 -","- C54 F6 Ge32.148 N12 O120 Si27.852 -","6","0.5","","Lu, Peng; Gómez-Hortigüela, Luis; Xu, Lei; Camblor, Miguel A.","Synthesis of STW zeolites using imidazolium-based dications of varying length","Journal of Materials Chemistry A","2018","6","4","1485","","10.1039/C7TA10002G","powder diffraction","x-ray","0.56383","","","","","","","","","0.06662","","2.23","","","","","","","has coordinates","236404","2020-10-21","18:00:00",""
"7703353","12.9343","0.0001","12.9343","0.0001","46.4828","0.0006","90","","90","","120","","6734.55","0.11","150.15","","150.15","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C40 H43 Br2 N16 O11 Y -","- C40 H43 Br2 N16 O11 Y -","- C240 H258 Br12 N96 O66 Y6 -","6","0.5","","Peewasan, Krisana; Merkel, Marcel P.; Fuhr, Olaf; Powell, Annie K.","A designed and potentially decadentate ligand for use in lanthanide(iii) catalysed biomass transformations: targeting diastereoselective trans-4,5-diaminocyclopentenone derivatives.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2331","2336","10.1039/d0dt00183j","","x-ray","1.34143","GaKα","","0.0268","0.0266","","","0.0758","0.076","","","","","","1.063","","","","has coordinates,has disorder","248961","2020-10-21","18:00:00",""
"7703354","13.0011","0.0001","13.0011","0.0001","46.6691","0.0004","90","","90","","120","","6831.57","0.09","150.15","","150.15","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C40 H43 Br2 N16 O11 Sm -","- C40 H43 Br2 N16 O11 Sm -","- C240 H258 Br12 N96 O66 Sm6 -","6","0.5","","Peewasan, Krisana; Merkel, Marcel P.; Fuhr, Olaf; Powell, Annie K.","A designed and potentially decadentate ligand for use in lanthanide(iii) catalysed biomass transformations: targeting diastereoselective trans-4,5-diaminocyclopentenone derivatives.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2331","2336","10.1039/d0dt00183j","","x-ray","1.34143","GaKα","","0.0242","0.0235","","","0.0649","0.0655","","","","","","1.068","","","","has coordinates,has disorder","248961","2020-10-21","18:00:00",""
"7716760","9.341","0.0009","9.341","0.0009","35.71","0.003","90","","90","","120","","2698.4","0.4","298","2","298.15","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C8 H24 N10 Ni O8 -","- C8 H24 N10 Ni O8 -","- C48 H144 N60 Ni6 O48 -","6","0.5","","Dong, Wen-Shuai; Mei, Hao-Zheng; Yu, Qi-Yao; Xu, Mei-Qi; Li, Zong-You; Zhang, Jian-Guo","Structure and performance regulation of energetic complexes through multifunctional molecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13925","13932","10.1039/d4dt00830h","","","0.71073","MoKα","","0.0519","0.0495","","","0.1021","0.103","","","","","","1.0466","","","","has coordinates","294556","2024-09-06","00:44:09",""
"8100230","9.57","0.0006","9.57","0.0006","15.8695","0.0011","90","","90","","120","","1258.69","0.14","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- B H6 In O11 P2 -","- B H4 In O11 P2 -","- B6 H24 In6 O66 P12 -","6","0.5","","Ewald, Bastian; Prots, Yurii; Menezes, Prashanth; Kniep, Rüdiger","Crystal structure of diaqua-indium catena-monoboro-bisphosphate monohydrate, In(H~2~O)~2~[BP~2~O~8~] · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","351","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100355","9.713","0.0014","9.713","0.0014","16.136","0.003","90","","90","","120","","1318.4","0.4","273","2","293","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- B Cd H6 Na O10.79 P2 -","- B Cd H6 Na O10.8 P2 -","- B6 Cd6 H36 Na6 O64.8 P12 -","6","0.5","","Ge, Ming-Hui; Mi, Jin-Xiao; Huang, Ya-Xi; Zhao, Jing-Tai; Kniep, Rüdiger","Crystal structure of sodium cadmium diaqua catena-[monoborodiphosphate]- hydrate, NaCd(H~2~O)~2~[BP~2~O~8~] · 0.8H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","2","165","166","10.1524/ncrs.2003.218.2.165","","","","","","","","","","","","","","","","","","","","","has coordinates","256930","2020-10-21","18:00:00",""
"8100899","9.377","0.001","9.377","0.001","15.848","0.001","90","","90","","120","","1206.8","0.2","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- B Na Ni O11 P2 -","- B Na Ni O11 P2 -","- B6 Na6 Ni6 O66 P12 -","6","0.5","","Boy, Insan; Schäfer, Gerd; Kniep, Rüdiger","Crystal structure of sodium nickel diaqua catena-[monoboro-diphosphate] monohydrate, NaNi(H~2~O)~2~[BP~2~O~8~] · H~2~O, at 293 K and 198 K","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","11","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100900","9.3578","0.001","9.3578","0.001","15.8325","0.001","90","","90","","120","","1200.7","0.2","198","2","198","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- B Na Ni O11 P2 -","- B Na Ni O11 P2 -","- B6 Na6 Ni6 O66 P12 -","6","0.5","","Boy, Insan; Schäfer, Gerd; Kniep, Rüdiger","Crystal structure of sodium nickel diaqua catena-[monoboro-diphosphate] monohydrate, NaNi(H~2~O)~2~[BP~2~O~8~] · H~2~O, at 293 K and 198 K","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","11","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100901","9.467","0.002","9.467","0.002","15.861","0.002","90","","90","","120","","1231.1","0.4","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- B Fe Na O11 P2 -","- B Fe Na O11 P2 -","- B6 Fe6 Na6 O66 P12 -","6","0.5","","Boy, Insan; Schäfer, Gerd; Kniep, Rüdiger","Crystal structure of sodium iron(II) diaqua catena-[monoboro-diphosphate] monohydrate, NaFe(H~2~O)~2~[BP~2~O~8~] · H~2~O, and of potassium iron(II) diaqua catena-[monoboro-diphosphate] hemihydrate, KFe(H~2~O) ~2~[BP~2~O~8~] · 0.5H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","13","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100902","9.523","0.001","9.523","0.001","15.998","0.001","90","","90","","120","","1256.4","0.2","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- B Fe K O11 P2 -","- B Fe K O10.5 P2 -","- B6 Fe6 K6 O63 P12 -","6","0.5","","Boy, Insan; Schäfer, Gerd; Kniep, Rüdiger","Crystal structure of sodium iron(II) diaqua catena-[monoboro-diphosphate] monohydrate, NaFe(H~2~O)~2~[BP~2~O~8~] · H~2~O, and of potassium iron(II) diaqua catena-[monoboro-diphosphate] hemihydrate, KFe(H~2~O) ~2~[BP~2~O~8~] · 0.5H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","13","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""