# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-31T23:47:09+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 6/m' 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
"1010055","2.11","0.005","2.11","0.005","6.08","0.01","90","","90","","120","","23.4","","","","","","","","","","","","","2","P 6/m","-P 6","175","","Nickel bromide","","- Br0.6666 Ni0.3333 -","- Br0.666 Ni0.333 -","- Br0.666 Ni0.333 -","1","0.0833333","","Ketelaar, J A A","Die Kristallstruktur des Nickelbromids und -jodids","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","26","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101086","26.509","0.002","26.509","0.002","10.1184","0.0013","90","","90","","120","","6157.9","1","293","2","293","2","","","","","","","","5","P 6/m","-P 6","175","","","","- C26 H30 N18 O14 Pt2 -","- C26 H18 N18 O14 Pt2 -","- C156 H108 N108 O84 Pt12 -","6","0.5","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas","Solution and solid state coexistence of head‒head and head‒tail isomers in dimeric Pd(II) and Pt(II) complexes of the type [M2(a‒a)2(µ-L-N3N4)2]2+ with a bridging triazolopyrimidine ligand and chelating bidentate diamines","J. Chem. Soc., Dalton Trans.","2002","","24","4740","4745","10.1039/b207263g","","","0.71073","MoKα","","0.0782","0.0494","","","0.1524","0.1703","","","","","","1.137","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507174","13.5604","0.0005","13.5604","0.0005","9.2104","0.0005","90","","90","","120","","1466.74","0.11","293","2","293","2","","","","","","","","3","P 6/m","-P 6","175","","","","- C42 H24 O12 -","- C42 H24 O12 -","- C42 H24 O12 -","1","0.0833333","","Ma, Yingjie; Chi, Xiaodong; Yan, Xuzhou; Liu, Jiyong; Yao, Yong; Chen, Weixiang; Huang, Feihe; Hou, Jun-Li","per-Hydroxylated Pillar[6]arene: Synthesis, X-ray Crystal Structure, and Host-Guest Complexation.","Organic letters","2012","14","6","1532","1535","10.1021/ol300263z","","","0.71073","MoKα","","0.1161","0.1084","","","0.3783","0.3902","","","","","","1.806","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510574","12.545","","12.545","","9.135","","90","","90","","120","","1245.03","","","","","","","","","","","","","2","P 6/m","-P 6","175","","","","- Au50.82 Ho14 -","- Au50.82 Ho14 -","- Au50.82 Ho14 -","1","0.0833333","","Bruzzone, G.; McMasters, O.D.; Palenzona, A.; Gschneidner, K.A.jr.","Stoichiometry, crystal structure and some melting points of the lanthanide-gold alloys","Journal of the Less-Common Metals","1971","25","","135","160","10.1016/0022-5088(71)90125-1","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510575","12.6521","","12.6521","","9.1381","","90","","90","","120","","1266.81","","","","","","","","","","","","","2","P 6/m","-P 6","175","","","","- Au51 U14 -","- Au51 U14 -","- Au51 U14 -","1","0.0833333","","Hulliger, F.; Dommann, A.","On the structure types of U Au2 and U14 Au51","Journal of the Less-Common Metals","1988","141","","261","273","10.1016/0022-5088(88)90412-2","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1520085","27.7587","0.0006","27.7587","0.0006","22.5433","0.0009","90","","90","","120","","15043.4","0.8","100","","100","","","","","","","","","6","P 6/m","-P 6","175","","","","- C120 H154 Co4 Dy4 N14 O34 -","- C120 H154 Co4 Dy4 N14 O34 -","- C360 H462 Co12 Dy12 N42 O102 -","3","0.25","","Berkoff, Benjamin; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Escuer, Albert; Kostakis, George E.","A new family of high nuclearity Co(II)/Dy(III) coordination clusters possessing robust and unseen topologies.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12788","12795","10.1039/c5dt01813g","","","0.71073","MoKα","","0.1002","0.058","","","0.1401","0.1533","","","","","","0.939","","","","has coordinates,has disorder","143681","2020-10-21","18:00:00",""
"1524863","11.717","","11.717","","8.792","","90","","90","","120","","1045.32","","","","","","","","","","","","","3","P 6/m","-P 6","175","","","","- Cu46 Ga5 Sm14 -","- Cu46.002 Ga4.998 Sm14 -","- Cu46.002 Ga4.998 Sm14 -","1","0.0833333","","Markiv, V.Ya.; Shevchenko, I.P.; Belyavina, N.N.; Kuz'menko, P.P.","Crystal structures in the ternary system Sm-Cu-Ga","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki","1986","48","","78","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524877","11.438","","11.438","","8.352","","90","","90","","120","","946.284","","","","","","","","","","","","","3","P 6/m","-P 6","175","","(Cu36.7 Ga14.3) Sc14","","- Cu36.7 Ga14.3 Sc14 -","- Cu36.72 Ga14.28 Sc14 -","- Cu36.72 Ga14.28 Sc14 -","1","0.0833333","","Markiv, V.Ya.; Belyavina, N.N.; Gavrilenko, I.S.","Crystal structure and some ternary compounds in the system Sc - Cu - Ga","Izvestiya Akademii Nauk SSSR, Metally","1984","1984","","215","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","145731","2020-10-21","18:00:00",""
"1525583","13.118","","13.118","","3.862","","90","","90","","120","","575.544","","","","","","","","","","","","","4","P 6/m","-P 6","175","","K6 Ta6.5 O15 F7.56","","- F7.56 K6 O15 Ta6.5 -","- F7.56 K6 O15 Ta6.5 -","- F7.56 K6 O15 Ta6.5 -","1","0.0833333","","Arakcheeva, A.V.; Grinevich, V.V.; Mitin, A.V.; Shamrai, V.F.; Lubman, G.U.","Crystal structure and resistivity characteristics of new tantalum bronze K6 Ta6.5 O15+x F6+y","Kristallografiya","2001","46","","221","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","146600","2020-10-21","18:00:00",""
"1530152","6.2","","6.2","","5.9","","90","","90","","120","","196.411","","","","","","","","","","","","","2","P 6/m","-P 6","175","","Ta1.52 O3.12","","- O3.12 Ta1.52 -","- O3.12 Ta1.52 -","- O3.12 Ta1.52 -","1","0.0833333","","Khitrova, V.I.; Klechkovskaya, V.V.; Pinsker, Z.G.","Atomic structure of tantalum oxide with hexagonal lattice in thin layers","Kristallografiya","1979","24","","939","944","","","","","","","","","","","","","","","","","","","","","","has coordinates","155136","2020-10-21","18:00:00",""
"1530345","16.772","","16.772","","10.434","","90","","90","","120","","2541.86","","","","","","","","","","","","","13","P 6/m","-P 6","175","","Na9 K Ca2 Ba6 (Mn5.382 Fe0.618) (Ti4.272 Nb1.536 Ta0.186) (Si36 B12 O114) O9 (O H)2","","- B12 Ba6 Ca2 Fe0.618 H2 K Mn5.382 Na9 Nb1.536 O125 Si36 Ta0.186 Ti4.272 -","- B12 Ba6 Ca2 Fe0.618 K Mn5.382 Na9 Nb1.536 O125 Si36 Ta0.186 Ti4.272 -","- B12 Ba6 Ca2 Fe0.618 K Mn5.382 Na9 Nb1.536 O125 Si36 Ta0.186 Ti4.272 -","1","0.0833333","","Malinovskii, Yu.A.; Pobedimskaya, E.A.; Belov, N.V.","Crystal structure of tienshanite","Doklady Akademii Nauk SSSR","1977","236","","863","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534163","13.11","","13.11","","3.8625","","90","","90","","120","","574.916","","","","","","","","","","","","","4","P 6/m","-P 6","175","","K6 Ta6.27 O15 F7.4","","- F7.4 K6 O15 Ta6.27 -","- F7.356 K6 O15 Ta6.271 -","- F7.356 K6 O15 Ta6.271 -","1","0.0833333","","Arakcheeva, A.V.; Chapuis, G.; Grinevich, V.V.; Shamrai, V.F.","Structure type of hexagonal tantalum bronzes with variable composition K6 Ta6+z O15 F6 (F,O)y: Ta-bronzes and Ta-compounds","Kristallografiya","2004","49","","75","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","160667","2020-10-21","18:00:00",""
"1534164","13.123","","13.123","","3.8622","","90","","90","","120","","576.012","","","","","","","","","","","","","4","P 6/m","-P 6","175","","K6 Ta7.05 O15 F7.1","","- F7.1 K6 O15 Ta7.05 -","- F7.104 K6 O15 Ta7.047 -","- F7.104 K6 O15 Ta7.047 -","1","0.0833333","","Arakcheeva, A.V.; Chapuis, G.; Grinevich, V.V.; Shamrai, V.F.","Structure type of hexagonal tantalum bronzes with variable composition K6 Ta6+z O15 F6 (F,O)y: Ta-bronzes and Ta-compounds","Kristallografiya","2004","49","","75","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","160668","2020-10-21","18:00:00",""
"1534165","13.132","","13.132","","3.861","","90","","90","","120","","576.623","","","","","","","","","","","","","4","P 6/m","-P 6","175","","K6 Ta6.88 O15 F8.2","","- F8.2 K6 O15 Ta6.88 -","- F8.184 K6 O15 Ta6.876 -","- F8.184 K6 O15 Ta6.876 -","1","0.0833333","","Arakcheeva, A.V.; Chapuis, G.; Grinevich, V.V.; Shamrai, V.F.","Structure type of hexagonal tantalum bronzes with variable composition K6 Ta6+z O15 F6 (F,O)y: Ta-bronzes and Ta-compounds","Kristallografiya","2004","49","","75","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","160669","2020-10-21","18:00:00",""
"1548061","17.4385","0.0004","17.4385","0.0004","3.64373","0.0001","90","","90","","120","","959.61","0.04","296","","296","","","","","","","","","5","P 6/m","-P 6","175","","","","- C2 H4 Al F4 N3 -","- C2 H4 Al F4 N3 -","- C12 H24 Al6 F24 N18 -","6","0.5","","Amandine Cadiau","From hybrid fluoroaluminates to porous fluorinated materials type MOF : crystallochemistry and spectroscopic studies","Ph.D. Thesis, Le Mans","2010","","","1","","","powder diffraction","","1.5418","CuKα","","","","","","","","","6.3551","5.66","","","","","","","has coordinates","203232","2020-10-21","18:00:00",""
"1548062","17.5383","0.0007","17.5383","0.0007","3.63462","0.00014","90","","90","","120","","968.2","0.07","296","","296","","","","","","","","","6","P 6/m","-P 6","175","","","","- C2 H6 Al F4 N3 O -","- C2 H6 Al F4 N3 O -","- C12 H36 Al6 F24 N18 O6 -","6","0.5","","Amandine Cadiau","From hybrid fluoroaluminates to porous fluorinated materials type MOF : crystallochemistry and spectroscopic studies","Ph.D. Thesis, Le Mans","2010","","","1","","","powder diffraction","","1.5418","CuKα","","","","","","","","","2.5184","2.95","","","","","","","has coordinates","203233","2020-10-21","18:00:00",""
"1561529","3.7273","0.0006","3.7273","0.0006","8.56","0.0016","90","","90","","120","","102.99","0.03","293","2","293","2","","","","","","","","4","P 6/m","-P 6","175","","","","- In Na S4 Sn -","- In0.166667 Na0.166667 S0.666667 Sn0.166667 -","- In0.5 Na0.5 S2 Sn0.5 -","3","0.25","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.0558","0.0559","","","0.1642","0.1642","","","","","","1.428","","","","has coordinates,has disorder","263939","2021-04-07","07:21:55",""
"1561530","3.745","0.002","3.745","0.002","8.434","0.005","90","","90","","120","","102.44","0.1","293","2","293","2","","","","","","","","4","P 6/m","-P 6","175","","","","- In K S4 Sn -","- In0.166667 K0.166667 S0.666667 Sn0.166667 -","- In0.5 K0.5 S2 Sn0.5 -","3","0.25","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.0356","0.0356","","","0.0906","0.0906","","","","","","1.177","","","","has coordinates,has disorder","263939","2021-04-07","07:22:16",""
"1563563","15.05399","0.00005","15.05399","","3.96845","0.000015","90","","90","","120","","778.852","0.004","","","","","","","","","","","","2","P 6/m","-P 6","175","","","","- Ge12.31 Na2.85 -","- Ge12.3085 Na2.851 -","- Ge24.617 Na5.702 -","2","0.166667","","Beekman, M.; Stefanoski, S.; Wong-Ng, W.; Kaduk, J.A.; Huang, Q.; Reeg, C.; Bowers, C.R.; Nolas, G.S.","Structure and thermal conductivity of Na1−Ge3+","Journal of Solid State Chemistry","2010","183","6","1272","1277","10.1016/j.jssc.2010.03.035","powder diffraction","x-ray","0.4958","synchrotron","","","","","","","","0.10255","","1.47","","","","","","","has coordinates","266559","2021-06-18","08:04:38",""
"1563564","15.0052","0.0004","15.0052","","3.95456","0.00013","90","","90","","120","","771.1","0.03","","","","","","","","","","","","2","P 6/m","-P 6","175","","","","- Ge3.25 Na -","- Ge3.25001 Na -","- Ge26 Na8 -","8","0.666667","","Beekman, M.; Stefanoski, S.; Wong-Ng, W.; Kaduk, J.A.; Huang, Q.; Reeg, C.; Bowers, C.R.; Nolas, G.S.","Structure and thermal conductivity of Na1−Ge3+","Journal of Solid State Chemistry","2010","183","6","1272","1277","10.1016/j.jssc.2010.03.035","","","","","","","","","","","","","","","","","","","","","has coordinates","266559","2021-06-18","08:04:39",""
"1563566","15.06406","0.00032","15.06406","","3.96727","0.00013","90","","90","","120","","779.66","0.03","","","","","","","","","","","","2","P 6/m","-P 6","175","","","","- Ge3.24 Na -","- Ge3.2445 Na -","- Ge25.956 Na8 -","8","0.666667","","Beekman, M.; Stefanoski, S.; Wong-Ng, W.; Kaduk, J.A.; Huang, Q.; Reeg, C.; Bowers, C.R.; Nolas, G.S.","Structure and thermal conductivity of Na1−Ge3+","Journal of Solid State Chemistry","2010","183","6","1272","1277","10.1016/j.jssc.2010.03.035","","","","","","","","","","","","","","","","","","","","","has coordinates","266559","2021-06-18","08:04:39",""
"1570686","3.266","","3.266","","1.1547","","90","","90","","120","","10.667","","","","","","","","","","","","","3","P 6/m","-P 6","175","","","","- C4 N2 O -","- C4 N2 O -","- C12 N6 O3 -","3","0.25","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:05",""
"2020044","11.858","","11.858","","9.107","","90","","90","","120","","1108.99","","","","","","","","","","","","","2","P 6/m","-P 6","175","","","","- Ce14 Cu50.92 -","- Ce14 Cu50.92 -","- Ce14 Cu50.92 -","1","0.0833333","","Allibert, C.; Wong-Ng, W.; Nyburg, S.C.","Ce Cu3.6, a disordered variant of Gd14 Ag51 type","Acta Crystallographica C (39,1983-)","1984","40","","211","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2105364","12.67","","12.67","","9.332","","90","","90","","120","","1297.35","","","","","","","","","","","","","2","P 6/m","-P 6","175","","Gd Ag3.63","","- Ag3.63 Gd -","- Ag3.63 Gd -","- Ag50.82 Gd14 -","14","1.16667","","Kline, G.R.; Bailey, D.M.","The crystal structure of Gd Ag3.6","Acta Crystallographica B (24,1968-38,1982)","1971","27","","650","653","10.1107/S0567740871002711","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106505","11.18","","11.18","","8.235","","90","","90","","120","","891.411","","","","","","","","","","","","","2","P 6/m","-P 6","175","","","","- Cu51 Hf14 -","- Cu51 Hf14 -","- Cu51 Hf14 -","1","0.0833333","","Gabathuler, J.P.; Parthe, E.; White, P.","Zr14 Cu51 and Hf14 Cu51 with Gd Ag3.6 structure type","Acta Crystallographica B (24,1968-38,1982)","1975","31","","608","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311896","12.5433","0.0017","12.5433","0.0017","9.1389","0.0014","90","","90","","120","","1245.2","0.3","293","2","293","2","","","","","","","","2","P 6/m","-P 6","175","","Tetradecayttrium henpentacontagold","","- Au51 Y14 -","- Au51 Y14 -","- Au51 Y14 -","1","0.0833333","WQ3137","Celania, Chris; Smetana, Volodymyr; Mudring, Anja Verena","Crystal structures and new perspectives on Y<sub>3</sub>Au<sub>4</sub> and Y<sub>14</sub>Au<sub>51</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","692","696","10.1107/S2053229617011068","","","0.71073","MoKα","","0.027","0.0223","","","0.0418","0.0437","","","","","","1.128","","","","has coordinates","246156","2020-10-21","18:00:00",""
"4102347","25.29","0.004","25.29","0.004","11.69","0.002","90","","90","","120","","6475","1.8","293","2","293","2","","","","","","","","5","P 6/m","-P 6","175","","","","- C18 H13 Cd N3 O4 -","- C18 H13 Cd N3 O4 -","- C108 H78 Cd6 N18 O24 -","6","0.5","","Hai-Long Jiang; Yoshiro Tatsu; Zhang-Hui Lu; Qiang Xu","Non-, Micro-, and Mesoporous Metal-Organic Framework Isomers: Reversible Transformation, Fluorescence Sensing, and Large Molecule Separation","Journal of the American Chemical Society","2010","132","","5586","5587","10.1021/ja101541s","","","0.71073","MoKα","","0.1234","0.0763","","","0.172","0.191","","","","","","1.067","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4107117","23.4261","0.0014","23.4261","0.0014","12.2033","0.0015","90","","90","","120","","5799.7","0.9","100","2","100","2","","","","","","","","5","P 6/m","-P 6","175","FMOF-2,4toluene","","","- C52 H32 Ag6 F36 N18 -","- C52 H32 Ag6 F36 N18 -","- C156 H96 Ag18 F108 N54 -","3","0.25","","Chi Yang; Ushasree Kaipa; Qian Zhang Mather; Xiaoping Wang; Vladimir Nesterov; Augustin F. Venero; Mohammad A. Omary","Fluorous Metal-Organic Frameworks with Superior Adsorption and Hydrophobic Properties toward Oil Spill Cleanup and Hydrocarbon Storage","Journal of the American Chemical Society","2011","133","","18094","18097","10.1021/ja208408n","","","0.71073","MoKα","","0.0735","0.064","","","0.1639","0.1732","","","","","","1.459","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4118948","22.556","","22.556","","3.4","","90","","90","","120","","1498.08","","","","","","","","","","","","see text","4","P 6/m","-P 6","175","","","","- C6 H4 N O -","- C6 H4 N O -","- C36 H24 N6 O6 -","6","0.5","","Sharath Kandambeth; Arijit Mallick; Binit Lukose; Manoj V. Mane; Thomas Heine; Rahul Banerjee","Construction of Crystalline 2D Covalent Organic Frameworks with Remarkable Chemical (Acid/Base) Stability via a Combined Reversible and Irreversible Route","Journal of the American Chemical Society","2012","134","","19524","19527","10.1021/ja308278w","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118949","22.506","","22.506","","3.5","","90","","90","","120","","1535.31","","","","","","","","","","","","see text","4","P 6/m","-P 6","175","","","","- C7 H6 N O -","- C7 H6 N O -","- C42 H36 N6 O6 -","6","0.5","","Sharath Kandambeth; Arijit Mallick; Binit Lukose; Manoj V. Mane; Thomas Heine; Rahul Banerjee","Construction of Crystalline 2D Covalent Organic Frameworks with Remarkable Chemical (Acid/Base) Stability via a Combined Reversible and Irreversible Route","Journal of the American Chemical Society","2012","134","","19524","19527","10.1021/ja308278w","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4123113","21.43","0.03","21.43","0.03","16.89","0.02","90","","90","","120","","6717","15","110","2","110","2","","","","","","","","7","P 6/m","-P 6","175","","","","- C144 H72 Cl3 Fe3 N12 O24 Zr6 -","- C144 H72 Cl3 Fe3 N12 O24 Zr5.94 -","- C144 H72 Cl3 Fe3 N12 O24 Zr5.94 -","1","0.0833333","","Feng, Dawei; Gu, Zhi-Yuan; Chen, Ying-Pin; Park, Jihye; Wei, Zhangwen; Sun, Yujia; Bosch, Mathieu; Yuan, Shuai; Zhou, Hong-Cai","A Highly Stable Porphyrinic Zirconium Metal-Organic Frame-work with shp-a Topology.","Journal of the American Chemical Society","2014","","","141212123922008","","10.1021/ja510525s","","","0.71073","MoKα","","0.1922","0.1331","","","0.3131","0.3473","","","","","","1.013","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4125677","39.039","0.002","39.039","0.002","24.901","0.001","90","","90","","120","","32866","3","100","0.1","100","0.1","","","","","","","","5","P 6/m","-P 6","175","","","","- C68.75 H49.58 In3 N0.58 O21.33 -","- C69.0001 H43.75 In3 N0.58335 O21.5833 -","- C828.001 H525 In36 N7.0002 O259 -","12","1","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","","1.54184","CuKα","","0.0827","0.0634","","","0.1964","0.2144","","","","","","0.85","","","","has coordinates,has disorder","193074","2020-10-21","18:00:00",""
"4128610","20.525","0.003","20.525","0.003","18.668","0.003","90","","90","","120","","6810.7","1.8","273","2","273","2","","","","","","","","7","P 6/m","-P 6","175","","","","- C102 H90 Br6 F6 N1.5 Np18 O78 -","- C51 Br2.4 F3 Np9 O39 -","- C102 Br4.8 F6 Np18 O78 -","2","0.166667","","Gilson, Sara E.; Li, Peng; Szymanowski, Jennifer E. S.; White, Jacob; Ray, Debmalya; Gagliardi, Laura; Farha, Omar K.; Burns, Peter C.","In Situ Formation of Unprecedented Neptunium-Oxide Wheel Clusters Stabilized in a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","30","11842","11846","10.1021/jacs.9b06187","","","0.71073","MoKα","","0.0926","0.0657","","","0.1739","0.198","","","","","","1.033","","","","has coordinates,has disorder","221691","2020-10-21","18:00:00",""
"4128611","20.835","0.013","20.835","0.013","18.453","0.012","90","","90","","120","","6937","8","273","2","273","2","","","","","","","","5","P 6/m","-P 6","175","","","","- C102 H90 F6 Np18 O78 -","- C102 H54 F6 Np18 O78 -","- C102 H54 F6 Np18 O78 -","1","0.0833333","","Gilson, Sara E.; Li, Peng; Szymanowski, Jennifer E. S.; White, Jacob; Ray, Debmalya; Gagliardi, Laura; Farha, Omar K.; Burns, Peter C.","In Situ Formation of Unprecedented Neptunium-Oxide Wheel Clusters Stabilized in a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","30","11842","11846","10.1021/jacs.9b06187","","","0.71073","MoKα","","0.0814","0.0686","","","0.1932","0.21","","","","","","0.944","","","","has coordinates","221692","2020-10-21","18:00:00",""
"4128612","20.719","0.006","20.719","0.006","18.477","0.005","90","","90","","120","","6869","3","273","2","273","2","","","","","","","","6","P 6/m","-P 6","175","","","","- C1.34 H1.18 F0.08 N0.04 Np0.24 O1.05 -","- C1.34211 H0.671053 F0.0789474 N0.0394737 Np0.236842 O1.10526 -","- C102 H51 F6 N3 Np18 O84 -","76","6.33333","","Gilson, Sara E.; Li, Peng; Szymanowski, Jennifer E. S.; White, Jacob; Ray, Debmalya; Gagliardi, Laura; Farha, Omar K.; Burns, Peter C.","In Situ Formation of Unprecedented Neptunium-Oxide Wheel Clusters Stabilized in a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","30","11842","11846","10.1021/jacs.9b06187","","","0.71073","MoKα","","0.0771","0.0738","","","0.2025","0.2057","","","","","","1.118","","","","has coordinates,has disorder","221693","2020-10-21","18:00:00",""
"4324382","11.57961","0.00003","11.57961","0.00003","3.6811","0.0001","90","","90","","120","","427.461","0.012","300","","300","","","","","","","","","3","P 6/m","-P 6","175","Magnesium imide","Magnesium imide","","- H Mg N -","- D Mg N -","- D12 Mg12 N12 -","12","1","","Francesco Dolci; Emilio Napolitano; Eveline Weidner; Stefano Enzo; Pietro Moretto; Michela Brunelli; Thomas Hansen; Maximilian Fichtner; Wiebke Lohstroh","Magnesium Imide: Synthesis and Structure Determination of an Unconventional Alkaline Earth Imide from Decomposition of Magnesium Amide","Inorganic Chemistry","2011","50","","1116","1122","10.1021/ic1023778","powder diffraction","neutron","1.868","neutron","","","","","","","","","0.017678","1.94","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324523","12.7627","0.0013","12.7627","0.0013","9.3262","0.001","90","","90","","120","","1315.6","0.2","293","2","293","2","","","","","","","","3","P 6/m","-P 6","175","","","","- Au46.67 Ca14 Sn4.15 -","- Au46.662 Ca14 Sn4.152 -","- Au46.662 Ca14 Sn4.152 -","1","0.0833333","","Qisheng Lin; John D. Corbett","Ca14Au46Sn5: a ""Colored"" Gd14Ag51-Type Structure Containing Columns of Well-Differentiated hexagonal Gold Stars","Inorganic Chemistry","2011","50","","1808","1815","10.1021/ic102243c","","","0.71073","MoKα","","0.0569","0.0412","","","0.0896","0.0964","","","","","","1.038","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324524","12.812","0.0018","12.812","0.0018","9.361","0.0019","90","","90","","120","","1330.7","0.4","293","2","293","2","","","","","","","","3","P 6/m","-P 6","175","","","","- Au45.79 Ca14 Sn4.95 -","- Au45.812 Ca14 Sn4.924 -","- Au45.812 Ca14 Sn4.924 -","1","0.0833333","","Qisheng Lin; John D. Corbett","Ca14Au46Sn5: a ""Colored"" Gd14Ag51-Type Structure Containing Columns of Well-Differentiated hexagonal Gold Stars","Inorganic Chemistry","2011","50","","1808","1815","10.1021/ic102243c","","","0.71073","MoKα","","0.0531","0.0476","","","0.1067","0.1095","","","","","","1.152","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324525","12.8789","0.0012","12.8789","0.0012","9.3815","0.0009","90","","90","","120","","1347.6","0.2","293","2","293","2","","","","","","","","3","P 6/m","-P 6","175","","","","- Au45.11 Ca14 Sn5.89 -","- Au45.102 Ca14 Sn5.898 -","- Au45.102 Ca14 Sn5.898 -","1","0.0833333","","Qisheng Lin; John D. Corbett","Ca14Au46Sn5: a ""Colored"" Gd14Ag51-Type Structure Containing Columns of Well-Differentiated hexagonal Gold Stars","Inorganic Chemistry","2011","50","","1808","1815","10.1021/ic102243c","","","0.71073","MoKα","","0.0459","0.039","","","0.0991","0.1025","","","","","","1.112","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324526","12.7946","0.0007","12.7946","0.0007","9.3643","0.0006","90","","90","","120","","1327.58","0.13","293","2","293","2","","","","","","","","3","P 6/m","-P 6","175","","","","- Au46.15 Ca14 Sn4.53 -","- Au46.158 Ca14 Sn4.524 -","- Au46.158 Ca14 Sn4.524 -","1","0.0833333","","Qisheng Lin; John D. Corbett","Ca14Au46Sn5: a ""Colored"" Gd14Ag51-Type Structure Containing Columns of Well-Differentiated hexagonal Gold Stars","Inorganic Chemistry","2011","50","","1808","1815","10.1021/ic102243c","","","0.71073","MoKα","","0.0425","0.0396","","","0.1062","0.1082","","","","","","1.094","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324527","12.8287","0.001","12.8287","0.001","9.3692","0.0008","90","","90","","120","","1335.36","0.19","273","2","273","2","","","","","","","","3","P 6/m","-P 6","175","","","","- Au45.77 Ca14 Sn4.97 -","- Au45.774 Ca14 Sn4.968 -","- Au45.774 Ca14 Sn4.968 -","1","0.0833333","","Qisheng Lin; John D. Corbett","Ca14Au46Sn5: a ""Colored"" Gd14Ag51-Type Structure Containing Columns of Well-Differentiated hexagonal Gold Stars","Inorganic Chemistry","2011","50","","1808","1815","10.1021/ic102243c","","","0.71073","MoKα","","0.0558","0.048","","","0.1182","0.1229","","","","","","1.054","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4345327","24.644","0.002","24.644","0.002","7.1068","0.0006","90","","90","","120","","3737.9","0.5","100","2","100","2","","","","","","","","5","P 6/m","-P 6","175","","","","- C12 H8 Fe N2 O4 -","- C12 H8 Fe N2 O4 -","- C72 H48 Fe6 N12 O24 -","6","0.5","","Kawamura, Airi; Greenwood, Arin R.; Filatov, Alexander S.; Gallagher, Audrey T.; Galli, Giulia; Anderson, John S.","Incorporation of Pyrazine and Bipyridine Linkers with High-Spin Fe(II) and Co(II) in a Metal-Organic Framework.","Inorganic chemistry","2017","56","6","3349","3356","10.1021/acs.inorgchem.6b02883","","","0.71073","MoKα","","0.0786","0.0643","","","0.1645","0.1699","","","","","","1.098","","","","has coordinates","194818","2020-10-21","18:00:00",""
"4515354","18.7938","0.0011","18.7938","0.0011","15.7286","0.0013","90","","90","","120","","4811.2","0.6","293","2","293","2","","","","","","","","7","P 6/m","-P 6","175","","","","- C156 H108 Co9 N18 O92 P2 W18 -","- C156 H108 Co9 N18 O92 P2 W18 -","- C156 H108 Co9 N18 O92 P2 W18 -","1","0.0833333","","Sun, Wenlong; An, Bowen; Qi, Bo; Liu, Tao; Jin, Meng; Duan, Chunying","Dual-Excitation Polyoxometalate-Based Frameworks for One-Pot Light-Driven Hydrogen Evolution and Oxidative Dehydrogenation.","ACS applied materials & interfaces","2018","10","16","13462","13469","10.1021/acsami.8b00350","","","0.71073","MoKα","","0.079","0.0644","","","0.2487","0.2663","","","","","","1.078","","","","has coordinates","225512","2020-10-21","18:00:00",""
"4515355","18.834","0.005","18.834","0.005","15.722","0.005","90","","90","","120","","4830","2","293","2","293","2","","","","","","","","7","P 6/m","-P 6","175","","","","- C156 H108 N18 O92 P2 W18 Zn9 -","- C156 H108 N18 O92 P2 W18 Zn9 -","- C156 H108 N18 O92 P2 W18 Zn9 -","1","0.0833333","","Sun, Wenlong; An, Bowen; Qi, Bo; Liu, Tao; Jin, Meng; Duan, Chunying","Dual-Excitation Polyoxometalate-Based Frameworks for One-Pot Light-Driven Hydrogen Evolution and Oxidative Dehydrogenation.","ACS applied materials & interfaces","2018","10","16","13462","13469","10.1021/acsami.8b00350","","","0.71069","MoKα","","0.0803","0.0666","","","0.1866","0.2108","","","","","","0.976","","","","has coordinates","225513","2020-10-21","18:00:00",""
"7007840","35.416","0.004","35.416","","18.021","0.002","90","","90","","120","","19575","3","153","2","153","2","","","","","","","","4","P 6/m","-P 6","175","","","","- C58.92 H85.5 B10.83 O5.25 -","- C58.91 H86 B10.84 O5.26 -","- C706.92 H1032 B130.08 O63.12 -","12","1","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Solution and solid state studies on the binding of isomeric carboranes C2B10H12 by p-Bu(t)-calix[5]arene.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5449","5453","10.1039/b611399k","","","0.71073","MoKα","","0.2006","0.1171","","","0.2734","0.34","","","","","","1.036","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007841","35.444","0.009","35.444","","17.99","0.005","90","","90","","120","","19573","7","153","2","153","2","","","","","","","","4","P 6/m","-P 6","175","","","","- C58.92 H85.5 B10.83 O5.25 -","- C58.91 H86.5 B10.84 O5.26 -","- C706.92 H1038 B130.08 O63.12 -","12","1","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Solution and solid state studies on the binding of isomeric carboranes C2B10H12 by p-Bu(t)-calix[5]arene.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5449","5453","10.1039/b611399k","","","0.71073","MoKα","","0.2772","0.1341","","","0.3179","0.4522","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007842","35.564","0.003","35.564","","17.908","0.002","90","","90","","120","","19615","3","153","2","153","2","","","","","","","","5","P 6/m","-P 6","175","","","","- C57.25 H85.17 B10.83 Cl0.17 O6 -","- C57.245 H83.17 B10.84 Cl0.17 O6.005 -","- C686.94 H998.04 B130.08 Cl2.04 O72.06 -","12","1","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Solution and solid state studies on the binding of isomeric carboranes C2B10H12 by p-Bu(t)-calix[5]arene.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5449","5453","10.1039/b611399k","","","0.71073","MoKα","","0.2801","0.108","","","0.2564","0.3985","","","","","","1.002","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007843","35.477","0.003","35.477","","17.92","0.002","90","","90","","120","","19533","3","153","2","153","2","","","","","","","","5","P 6/m","-P 6","175","","","","- C57.25 H85.17 B10.83 Cl0.17 O6 -","- C57.245 H84.17 B10.84 Cl0.17 O6.005 -","- C686.94 H1010.04 B130.08 Cl2.04 O72.06 -","12","1","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Solution and solid state studies on the binding of isomeric carboranes C2B10H12 by p-Bu(t)-calix[5]arene.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5449","5453","10.1039/b611399k","","","0.71073","MoKα","","0.183","0.1089","","","0.282","0.3777","","","","","","1.024","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7032125","9.2","0.0002","9.2","0.0002","13.6033","0.0003","90","","90","","120","","997.13","0.04","150","2","150","2","","","","","","","","6","P 6/m","-P 6","175","Cu-kagome-H2O","","","- C38 H24 Cl2 Cu3 N6 O15 -","- C38 H24 Cl1.92 Cu3 N6 O14.64 -","- C38 H24 Cl1.92 Cu3 N6 O14.64 -","1","0.0833333","","Keene, Tony D.; Murphy, Michael J.; Price, Jason R.; Sciortino, Natasha F.; Southon, Peter D.; Kepert, Cameron J.","Multifunctional MOFs through CO2 fixation: a metamagnetic kagome lattice with uniaxial zero thermal expansion and reversible guest sorption.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14766","14771","10.1039/c4dt02205j","","","0.71073","MoKα","","0.0372","0.0364","","","0.109","0.1096","","","","","","1.259","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032126","9.2577","0.0003","9.2577","0.0003","13.5853","0.0005","90","","90","","120","","1008.34","0.06","350","2","350","2","","","","","","","","6","P 6/m","-P 6","175","Cu-kagome-DS","","","- C38 H24 Cl2 Cu3 N6 O14 -","- C38 H24 Cl1.92 Cu3 N6 O13.68 -","- C38 H24 Cl1.92 Cu3 N6 O13.68 -","1","0.0833333","","Keene, Tony D.; Murphy, Michael J.; Price, Jason R.; Sciortino, Natasha F.; Southon, Peter D.; Kepert, Cameron J.","Multifunctional MOFs through CO2 fixation: a metamagnetic kagome lattice with uniaxial zero thermal expansion and reversible guest sorption.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14766","14771","10.1039/c4dt02205j","","","0.71073","MoKα","","0.0453","0.0347","","","0.0988","0.1071","","","","","","1.053","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7042642","29.983","0.004","29.983","0.004","11.399","0.002","90","","90","","120","","8875","2","291.15","","291.15","","","","","","","","","6","P 6/m","-P 6","175","","","","- C126 H84 F36 N26 P6 Pd6 -","- C126 H84 F36 N26 P6 Pd6 -","- C252 H168 F72 N52 P12 Pd12 -","2","0.166667","","Cui, Yu; Chen, Zi-Man; Jiang, Xuan-Feng; Tong, Jin; Yu, Shu-Yan","Self-Assembly and Anion sensing of Metal-organic [M6L2] Cages from Fluorescent Triphenylamine Tri-pyrazoles with Dipalladium(II,II) Corners","Dalton Trans.","2017","","","","","10.1039/C7DT00179G","","","0.71073","MoKα","","0.1039","0.0779","","","0.2119","0.2383","","","","","","1.035","","","","has coordinates,has disorder","194914","2020-10-21","18:00:00",""
"7101735","15.05399","0.00005","15.05399","","3.96845","0.000015","90","","90","","120","","778.852","0.005","","","","","","","","","","","","2","P 6/m","-P 6","175","Na Ge3","","","- Ge12.31 Na2.85 -","- Ge12.3085 Na2.851 -","- Ge24.617 Na5.702 -","2","0.166667","","Beekman, Matt; Kaduk, James A; Huang, Qing; Wong-Ng, Winnie; Yang, Zhi; Wang, Dongli; Nolas, George S","Synthesis and crystal structure of Na1-xGe3+z: a novel zeolite-like framework phase in the Na-Ge system.","Chemical communications (Cambridge, England)","2007","","8","837","839","10.1039/b614048c","powder diffraction","","","","","","","","","","","","","1.47","","","","","","","has coordinates","180119","2020-10-21","18:00:00",""
"7101736","15.0052","0.0004","15.0052","","3.95456","0.00013","90","","90","","120","","771.1","0.04","","","","","","","","","","","","2","P 6/m","-P 6","175","Na1-xGe3, neutron,4K","","","- Ge3.25 Na -","- Ge3.25001 Na -","- Ge26 Na8 -","8","0.666667","","Beekman, Matt; Kaduk, James A; Huang, Qing; Wong-Ng, Winnie; Yang, Zhi; Wang, Dongli; Nolas, George S","Synthesis and crystal structure of Na1-xGe3+z: a novel zeolite-like framework phase in the Na-Ge system.","Chemical communications (Cambridge, England)","2007","","8","837","839","10.1039/b614048c","powder diffraction","","","","","","","","","","","","","1.21","","","","","","","has coordinates","180119","2020-10-21","18:00:00",""
"7101737","15.06406","0.00032","15.06406","","3.96727","0.00013","90","","90","","120","","779.662","0.026","","","","","","","","","","","","2","P 6/m","-P 6","175","Na1-xGe3, neutron, RT","","","- Ge3.24 Na -","- Ge3.2445 Na -","- Ge25.956 Na8 -","8","0.666667","","Beekman, Matt; Kaduk, James A; Huang, Qing; Wong-Ng, Winnie; Yang, Zhi; Wang, Dongli; Nolas, George S","Synthesis and crystal structure of Na1-xGe3+z: a novel zeolite-like framework phase in the Na-Ge system.","Chemical communications (Cambridge, England)","2007","","8","837","839","10.1039/b614048c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180119","2020-10-21","18:00:00",""
"7106571","26.362","0.004","26.362","0.004","17.809","0.004","90","","90","","120","","10718","3","113","2","113","2","","","","","","","","5","P 6/m","-P 6","175","","","","- C72 H84 Ag6 N42 O28 -","- C72 H86 Ag6 N42 O28 -","- C216 H258 Ag18 N126 O84 -","3","0.25","","Jin Jin; Weiyin Wang; Yanhua Liu; Hongwei Hou; Yaoting Fan","A precise hexagonal octadecanuclear Ag macrocycle with significant luminescent properties","Chem.Commun.","2011","47","","7461","","10.1039/c1cc12142a","","","0.71073","MoKα","","0.1077","0.0991","","","0.2942","0.3036","","","","","","1.023","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7121293","11.6406","0.0019","11.6406","0.0019","8.6575","0.0014","90","","90","","120","","1016","0.3","123","","123","","","","","","","","","4","P 6/m","-P 6","175","","","","- C20 H8 O6 Rb3 -","- C20 H8 O6 Rb3 -","- C40 H16 O12 Rb6 -","2","0.166667","","Shuku, Yoshiaki; Mizuno, Asato; Ushiroguchi, Ryo; Hyun, Chang Seok; Ryu, Young Jun; An, Byeong-Kwan; Kwon, Ji Eon; Park, Soo Young; Tsuchiizu, Masahisa; Awaga, Kunio","An exotic band structure of a supramolecular honeycomb lattice formed by a pancake π-π interaction between triradical trianions of triptycene tribenzoquinone.","Chemical communications (Cambridge, England)","2018","54","31","3815","3818","10.1039/c8cc00753e","","","0.71075","MoKα","","0.0254","0.0249","","","0.0617","0.0621","","","","","","1.119","","","","has coordinates","228424","2020-10-21","18:00:00",""
"7123145","18.858","0.005","18.858","0.005","15.577","0.005","90","","90","","120","","4797","2","293","2","293","2","","","","","","","","8","P 6/m","-P 6","175","","","","- C156 H108 Cu4.5 N18 Ni4.5 O92 P2 W18 -","- C156 H108 Cu4.5 N18 Ni4.5 O92 P2 W18 -","- C156 H108 Cu4.5 N18 Ni4.5 O92 P2 W18 -","1","0.0833333","","Sun, Wenlong; He, Cheng; Liu, Tao; Duan, Chunying","Synergistic catalysis for light-driven proton reduction using a polyoxometalate-based Cu‒Ni heterometallic‒organic framework","Chemical Communications","2019","","","","","10.1039/C8CC09285K","","","0.71069","MoKα","","0.1023","0.0641","","","0.1606","0.1826","","","","","","0.988","","","","has coordinates,has disorder","214123","2020-10-21","18:00:00",""
"7132150","14.9484","0.0007","14.9484","0.0007","4.8464","0.0002","90","","90","","120","","937.86","0.07","293","2","293","2","","","","","","","","3","P 6/m","-P 6","175","","","","- C2 Ba O5 -","- C2 Ba O5 -","- C24 Ba12 O60 -","12","1","","Spahr, Dominik; Bayarjargal, Lkhamsuren; Haussühl, Eiken; Luchitskaia, Rita; Friedrich, Alexandra; Milman, Victor; Fedotenko, Timofey; Winkler, Björn","Twisted [C<sub>2</sub>O<sub>5</sub>]<sup>2-</sup>-groups in Ba[C<sub>2</sub>O<sub>5</sub>] pyrocarbonate.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03324d","","x-ray","0.2901","","","0.0336","0.0336","","","0.0364","0.0364","","","","2.28","2.28","2.28","","","","has coordinates","286510","2023-09-25","21:55:29",""
"7132151","14.856","","14.856","","4.831","","90","","90","","120","","923.361","","","","","","","","","","","","","3","P 6/m","-P 6","175","","","","- C2 Ba O5 -","- C2 Ba O5 -","- C24 Ba12 O60 -","12","1","","Spahr, Dominik; Bayarjargal, Lkhamsuren; Haussühl, Eiken; Luchitskaia, Rita; Friedrich, Alexandra; Milman, Victor; Fedotenko, Timofey; Winkler, Björn","Twisted [C<sub>2</sub>O<sub>5</sub>]<sup>2-</sup>-groups in Ba[C<sub>2</sub>O<sub>5</sub>] pyrocarbonate.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03324d","","","","","","","","","","","","","","","","","","","","","has coordinates","286510","2023-09-25","21:55:30",""
"7202596","16.7531","0.0013","16.7531","0.0013","10.8111","0.0012","90","","90","","120","","2627.8","0.4","298","2","298","2","","","","","","","","5","P 6/m","-P 6","175","","","","- C26 H39.33 Cu2 N2 O20.66 -","- C26 H39.3208 Cu2 N2 O20.66 -","- C78 H117.962 Cu6 N6 O61.98 -","3","0.25","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Scheer, Manfred; You, Xiao-Zeng","Metal disordering Cu(ii) supramolecular polymers constructed from a tripodal ligand possessing two different functional groups","CrystEngComm","2007","9","3","228","","10.1039/b616315g","","","0.71073","MoKα","","0.0925","0.0599","","","0.1223","0.1322","","","","","","1.163","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7210940","25.4125","0.0008","25.4125","0.0008","19.8941","0.0012","90","","90","","120","","11126.3","0.8","291","2","291","2","","","","","","","","7","P 6/m","-P 6","175","","","","- C32 H27 B Cd F2 N4 O4 -","- C32 H27.65 B Cd F2 N4 O4 -","- C192 H165.9 B6 Cd6 F12 N24 O24 -","6","0.5","","Zhou, Lian; Xue, Yun-Shan; Xu, Yan; Zhang, Jun; Du, Hong-Bin","Two photoluminescent metal‒organic frameworks based on a BODIPY-derived bipyridine ligand","CrystEngComm","2013","15","36","7315","","10.1039/c3ce41002a","","","0.71073","MoKα","","0.0821","0.0585","","","0.1704","0.1816","","","","","","1.009","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7217173","15.0263","0.0003","15.0263","0.0003","17.6363","0.0006","90","","90","","120","","3448.6","0.15","296","2","296","2","","","","","","","","5","P 6/m","-P 6","175","[Ba~5~(L)~3~(H~2~O)~6~].25H~2~O.10DMF.2Me~2~NH~2~^+^","","","- C154 H214 Ba5 N12 O65 -","- C120 H72 Ba5 O30 -","- C120 H72 Ba5 O30 -","1","0.0833333","","Chen, Xiao; He, Sha; Chen, Feiyan; Feng, Yunlong","Synthesis, characterization, and luminescence modulation of a rare barium-tetracarboxylate framework with I2O1connectivity","CrystEngComm","2014","16","37","8706","","10.1039/C4CE01059K","","","0.71073","MoKα","","0.0772","0.0504","","","0.1651","0.1785","","","","","","1","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7228005","23.9672","0.0002","23.9672","0.0002","14.6637","0.0003","90","","90","","120","","7294.72","0.17","100","0.3","100","0.3","","","","","","","","5","P 6/m","-P 6","175","","","","- C15 H9 N7 O5 Zn2 -","- C15 H9 N7 O5 Zn2 -","- C180 H108 N84 O60 Zn24 -","12","1","","Tang, Yu-Huan; Wu, Xin; Wang, Fei; Zhang, Jian","Sythesis of Zeolite-like Metal-organic Frameworks from a Dual-ligand Strategy","CrystEngComm","2017","","","","","10.1039/C7CE00332C","","","1.54178","CuKα","","0.0935","0.0853","","","0.2698","0.2845","","","","","","1.005","","","","has coordinates,has disorder","195226","2020-10-21","18:00:00",""
"7705000","26.8343","0.0009","26.8343","0.0009","14.8769","0.0005","90","","90","","120","","9277.3","0.5","100","2","100","","","","","","","","","5","P 6/m","-P 6","175","","","","- C325.5 H217.5 N55.5 O55.5 Zn18 -","- C325.5 H214.5 N55.5 O55.5 Zn18 -","- C325.5 H214.5 N55.5 O55.5 Zn18 -","1","0.0833333","","Alanazi, Abdulaziz A.; Wojtas, Lukasz; Mayers, Jacob M.; Miksovska, Jaroslava; Larsen, Randy W.","Framework induced deformation modulates the photophysical properties of ZnTetra(4-pyridyl)porphyrin incorporated within a new metal organic framework, RWLAA-1.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11668","11674","10.1039/d0dt02050h","","","1.54178","CuKα","","0.1112","0.1024","","","0.2904","0.2974","","","","","","1.162","","","","has coordinates,has disorder","256078","2020-10-21","18:00:00",""
"9004505","16.785","","16.785","","10.454","","90","","90","","120","","2550.68","","","","","","","","","","","","","10","P 6/m","-P 6","175","","","Tienshanite","- B12 Ba6 Ca2 F2 K Mn6 Na12 O123 Si36 Ti12 -","- B12 Ba6 Ca2 F2 K Mn6 Na12 O123 Si36 Ti12 -","- B12 Ba6 Ca2 F2 K Mn6 Na12 O123 Si36 Ti12 -","1","0.0833333","","Cooper, M. A.; Hawthorne, F. C.","Refinement of the crystal structure of tienshanite: short-range-order constraints on chemical composition","The Canadian Mineralogist","1998","36","","1305","1310","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9014459","12.1506","","12.1506","","7.3678","","90","","90","","120","","942.028","","","","","","","","","","","","Cane Creek mine near Moab, Utah, USA","17","P 6/m","-P 6","175","","","Braitschite-(Ce)","- B24 Ca6.16 Ce1.11 Dy0.042 Er0.015 Eu0.057 Gd0.042 H14.6 Ho0.015 La0.663 Na0.84 Nd0.534 O53 Pr0.144 Sm0.144 Tb0.015 Y0.216 -","- B24 Ca6.16 Ce1.11 Dy0.042 Er0.015 Eu0.057 Gd0.042 H14.6 Ho0.015 La0.663 Na0.84 Nd0.534 O53 Pr0.144 Sm0.144 Tb0.015 Y0.216 -","- B24 Ca6.16 Ce1.11 Dy0.042 Er0.015 Eu0.057 Gd0.042 H14.6 Ho0.015 La0.663 Na0.84 Nd0.534 O53 Pr0.144 Sm0.144 Tb0.015 Y0.216 -","1","0.0833333","","Rowland, C. E.; Cahill, C. L.; Post, J. E.","The structure of braitschite, a calcium rare earth borate","American Mineralogist","2011","96","","197","201","10.2138/am.2011.3592","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""