# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2024-05-17T11:46:15+02:00 # Query: # SELECT data.* # FROM # data # WHERE # (status is null or status != 'retracted') and # (sg LIKE 'R -3 c :H' 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 "1000017","4.7606","0.0005","4.7606","0.0005","12.994","0.001","90","","90","","120","","255","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Aluminium oxide","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Tsirelson, V G; Antipin, M Y; Gerr, R G; Ozerov, R P; Struchkov, Y T","Ruby structure peculiarities derived from X-ray data. Localization of chromium atoms and electron deformation density","Physica Status Solidi, Sectio A: Applied Research","1985","87","","425","433","10.1002/pssa.2210870204","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00","" "1000032","4.7605","0.00005","4.7605","0.00005","12.9956","0.0002","90","","90","","120","","255.1","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Aluminium oxide - $-alpha","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Lutterotti, L; Scardi, P","Simultaneous structure and size-strain refinement by the Rietveld method","Journal of Applied Crystallography","1990","23","","246","252","10.1107/S0021889890002382","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00","" "1000059","4.7554","0.0003","4.7554","0.0003","12.991","0.0006","90","","90","","120","","254.4","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Aluminium oxide","","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Wang, X - L; Hubbard, C R; Alexander, K B; Becher, P F","Neutron diffraction measurements of the residual stresses in Al2 O3 - Zr O2 (Ce O2) ceramic composites","Journal of the American Ceramic Society","1994","77","6","1569","1575","10.1111/j.1151-2916.1994.tb09758.x","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00","" "1000293","5.4577","0.0001","5.4577","0.0001","13.1058","0.0003","90","","90","","120","","338.1","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni6 O18 Pr6 -","6","0.166667","","Huang, T C; Parrish, W; Toraya, H; Lacorre, P; Torrance, J B","High temperature crystal structures of orthorhombic and rhombohedral PrNiO~3~","Materials Research Bulletin","1990","25","","1091","1098","10.1016/0025-5408(90)90138-R","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1000294","5.4614","0.0001","5.4614","0.0001","13.1319","0.0002","90","","90","","120","","339.2","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni6 O18 Pr6 -","6","0.166667","","Huang, T C; Parrish, W; Toraya, H; Lacorre, P; Torrance, J B","High temperature crystal structures of orthorhombic and rhombohedral PrNiO~3~","Materials Research Bulletin","1990","25","","1091","1098","10.1016/0025-5408(90)90138-R","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1000307","5.4535","0.0001","5.4535","0.0001","13.101","0.0003","90","","90","","120","","337.4","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Lanthanum nickel(III) oxide","","- La Ni O3 -","- La Ni O3 -","- La6 Ni6 O18 -","6","0.166667","","García-Muñoz, J. L.; Rodríguez-Carvajal, J.; Lacorre, P.; Torrance, J. B.","Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically induced structural changes across the metal-insulator transition","Physical Review B: Condensed Matter and Materials Physics","1992","46","8","4414","4425","10.1103/PhysRevB.46.4414","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","288307","2023-12-14","12:42:39","" "1000308","5.4535","0.0001","5.4535","0.0001","13.1014","0.0003","90","","90","","120","","337.4","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Lanthanum nickel(III) oxide","","- La Ni O3 -","- La Ni O3 -","- La6 Ni6 O18 -","6","0.166667","","García-Muñoz, J. L.; Rodríguez-Carvajal, J.; Lacorre, P.; Torrance, J. B.","Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically induced structural changes across the metal-insulator transition","Physical Review B: Condensed Matter and Materials Physics","1992","46","8","4414","4425","10.1103/PhysRevB.46.4414","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","288307","2023-12-14","12:42:39","" "1000309","5.4536","0.0001","5.4536","0.0001","13.1062","0.0003","90","","90","","120","","337.6","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Lanthanum nickel(III) oxide","","- La Ni O3 -","- La Ni O3 -","- La6 Ni6 O18 -","6","0.166667","","García-Muñoz, J. L.; Rodríguez-Carvajal, J.; Lacorre, P.; Torrance, J. B.","Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically induced structural changes across the metal-insulator transition","Physical Review B: Condensed Matter and Materials Physics","1992","46","8","4414","4425","10.1103/PhysRevB.46.4414","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","288307","2023-12-14","12:42:39","" "1000310","5.4573","0.0001","5.4573","0.0001","13.1462","0.0003","90","","90","","120","","339.1","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Lanthanum nickel(III) oxide","","- La Ni O3 -","- La Ni O3 -","- La6 Ni6 O18 -","6","0.166667","","García-Muñoz, J. L.; Rodríguez-Carvajal, J.; Lacorre, P.; Torrance, J. B.","Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically induced structural changes across the metal-insulator transition","Physical Review B: Condensed Matter and Materials Physics","1992","46","8","4414","4425","10.1103/PhysRevB.46.4414","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","288307","2023-12-14","12:42:39","" "1000467","4.9305","0.0006","4.9305","0.0006","12.4462","0.0007","90","","90","","120","","262","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Aluminium fluoride","","- Al F3 -","- Al F3 -","- Al6 F18 -","6","0.166667","","Daniel, Ph; Bulou, A; Rousseau, M; Nouet, J; Fourquet, J L; Leblanc, M; Burriel, R","A study of the structural phase transitions in Al F3: X-ray powder diffraction, DSC and Raman scattering investigations of the lattice dynamics and phonon spectrum","Journal of Physics: Condensed Matter","1990","2","","5663","5677","10.1088/0953-8984/2/26/003","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1000468","5.168","0.002","5.168","0.002","13.438","0.005","90","","90","","120","","310.8","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Vanadium(III) fluoride","","- F3 V -","- F3 V -","- F18 V6 -","6","0.166667","","Daniel, P; Bulou, A; Leblanc, M; Rousseau, M; Nouet, J","Structural and vibrational study of V F3","Materials Research Bulletin","1990","25","","413","420","10.1016/0025-5408(90)90175-2","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1001429","8.399","0.002","8.399","0.002","23.895","0.007","90","","90","","120","","1459.8","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Barium molybdenum phosphate (1/2/3)","","- Ba Mo2 O12 P3 -","- Ba Mo2 O12 P3 -","- Ba6 Mo12 O72 P18 -","6","0.166667","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","A novel family of mixed valence molybdenum phosphates with a Nasicon structure, AMo~2~P~3~O~12~ (A= Ca, Sr, Ba)","European Journal of Solid State Inorganic Chemistry","1989","26","","45","51","","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1001500","8.7362","0.0009","8.7362","0.0009","22.093","0.002","90","","90","","120","","1460.3","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Sodium niobium phosphate (0.5/2/3)","","- Na0.5 Nb2 O12 P3 -","- Na0.5 Nb2 O12 P3 -","- Na3 Nb12 O72 P18 -","6","0.166667","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","A niobium phosphate with a nasicon structure: Na~0.5~Nb~2~(PO~4~)~3~","Materials Research Bulletin","1991","26","","207","211","10.1016/0025-5408(91)90011-A","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1001623","12.989","0.002","12.989","0.002","53.91199","0.006","90","","90","","120","","7877.1","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Trirubidium tecto-diphosphatopentaniobate","","- Nb5 O19 P2 Rb3 -","- Nb5 O19 P2 Rb3 -","- Nb90 O342 P36 Rb54 -","18","0.5","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","A phosphoniobate with an intersecting tunnel structure related to pyrochlore: Rb~3~Nb~5~P~2~O/1~9~","Journal of Solid State Chemistry","1994","111","","26","32","10.1006/jssc.1994.1194","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1001855","8.6974","0.0007","8.6974","0.0007","22.12299","0.002","90","","90","","120","","1449.3","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Niobium(IV) niobium(V) phosphate(V)","","- Nb2 O12 P3 -","- Nb2 O12 P3 -","- Nb12 O72 P18 -","6","0.166667","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","A mixed-valence niobium phosphate with an empty nasicon structure: Nb2 (P O4)3","Acta Crystallographica C (39,1983-)","1989","45","","699","701","","","","","","","0.0347","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1004035","10.023","","10.023","","25.471","","90","","90","","120","","2216","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Barium dihydroxotrioxoruthenate(VI)","","- Ba H2 O5 Ru -","- Ba H2 O5 Ru -","- Ba18 H36 O90 Ru18 -","18","0.5","","Nowogrocki, G.; Abraham, F.; Trehoux, J.; Thomas, D.","Configuration de l'ion ruthenate: structure cristalline du dihydroxotrioxoruthenate(VI) de baryum, Ba (Ru O~3~ (O H)~2~)","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2413","2419","10.1107/S0567740876007875","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","191024","2020-10-21","18:00:00","" "1007249","13.084","0.005","13.084","0.005","34.79999","0.02","90","","90","","120","","5159.3","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Potassium cyclo-hexaphosphate(V) bis(hexahydrogentellurate) trihydrate","","- H18 K6 O33 P6 Te2 -","- H31 K6 O33 P6 Te2 -","- H186 K36 O198 P36 Te12 -","6","0.166667","","Averbuch-Pouchot, M T; Durif, A","Crystal chemistry of cyclo-hexaphosphates. XVI.Structures of potassium cyclo-hexaphosphate ditellurate trihydrate and rubidium cyclo- hexaphosphate tritellurate tetrahydrate","Acta Crystallographica C (39,1983-)","1991","47","","1576","1579","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1007264","30.84499","0.015","30.84499","0.015","13.085","0.003","90","","90","","120","","10781.4","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Bismuth trisodium bis(triphosphate(V)) nonahydrate","","- Bi H18 Na3 O27 P6 -","- Bi H18 Na3 O27 P6 -","- Bi18 H324 Na54 O486 P108 -","18","0.5","","Bagieu-Beucher, M; Durif, A","Preparation and crystal structure of bismuth trisodium trimetaphosphate nonahydrate: Bi Na3 (P3 O9)2 * 9 H2 O","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1987","178","","239","247","10.1524/zkri.1987.178.1-4.239","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1008366","8.5476","0.0002","8.5476","0.0002","20.9512","0.0007","90","","90","","120","","1325.6","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Lithium titanium indium phosphate (1.12/1.88/.12/3)","","- In0.12 Li1.12 O12 P3 Ti1.88 -","- In0.12 Li1.134 O12 P3 Ti1.88 -","- In0.72 Li6.804 O72 P18 Ti11.28 -","6","0.166667","","Tran, Qui D; Hamdoune, S; Soubeyroux, J L; Prince, E","Neutron powder diffraction study of solid solution Li~1+x~ Ti~2-x~ In~x~ P~3~ O~12~","Journal of Solid State Chemistry","1988","72","","309","315","10.1016/0022-4596(88)90034-5","","","","","","0.0302","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1008367","8.5604","0.0002","8.5604","0.0002","21.0219","0.001","90","","90","","120","","1334.1","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Lithium titanium indium phosphate (1.15/1.85/.15/3)","","- In0.15 Li1.15 O12 P3 Ti1.85 -","- In0.15 Li1.152 O12 P3 Ti1.85 -","- In0.9 Li6.912 O72 P18 Ti11.1 -","6","0.166667","","Tran Qui, D; Hamdoune, S; Soubeyroux, J L; Prince, E","Neutron Powder Diffraction Study of Solid Solution Li~1+x~ Ti~2-x~ In~x~ P~3~ O~12~","Journal of Solid State Chemistry","1988","72","","309","315","10.1016/0022-4596(88)90034-5","","","","","","0.0515","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1008453","8.5271","0.0004","8.5271","0.0004","21.32","0.001","90","","90","","120","","1342.5","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Copper(I) dititanium tris(phosphate)","","- Cu O12 P3 Ti2 -","- Cu1.0002 O12 P3 Ti2 -","- Cu6.0012 O72 P18 Ti12 -","6","0.166667","","Mbandza, A; Bordes, E; Courtine, P; El Jazouli, A; Soubeyroux, J L; Le Flem, G; Hagenmueller, P","The Nasicon-type copper(I) titanium phosphate CuTi~2~(PO~4~)~3~: structure and chemical properties","Reactivity of Solids","1988","5","","315","321","10.1016/0168-7336(88)80030-5","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1008510","8.275","0.005","8.275","0.005","20.47","0.03","90","","90","","120","","1213.9","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Lithium germanium tris(phosphate)","","- Ge2 Li O12 P3 -","- Ge2 Li O12 P3 -","- Ge12 Li6 O72 P18 -","6","0.166667","","Alami, M; Brochu, R; Soubeyroux, J L; Gravereau, P; Le Flem, G; Hagenmueller, P","Structure and thermal expansion of LiGe~2~(PO~4~)~3~","Journal of Solid State Chemistry","1991","90","","185","193","10.1016/0022-4596(91)90134-4","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1008511","8.2722","0.0002","8.2722","0.0002","20.4825","0.0007","90","","90","","120","","1213.8","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Lithium germanium tris(phosphate)","","- Ge2 Li O12 P3 -","- Ge2 Li1.0002 O12 P3 -","- Ge12 Li6.0012 O72 P18 -","6","0.166667","","Alami, M; Brochu, R; Soubeyroux, J L; Gravereau, P; Le Flem, G; Hagenmueller, P","Structure and thermal expansion of LiGe~2~(PO~4~)~3~","Journal of Solid State Chemistry","1991","90","","185","193","10.1016/0022-4596(91)90134-4","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1008512","8.2682","0.0009","8.2682","0.0009","20.494","0.004","90","","90","","120","","1213.3","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Lithium germanium tris(phosphate)","","- Ge2 Li O12 P3 -","- Ge2 Li1.0002 O12 P3 -","- Ge12 Li6.0012 O72 P18 -","6","0.166667","","Alami, M; Brochu, R; Soubeyroux, J L; Gravereau, P; Le Flem, G; Hagenmueller, P","Structure and thermal expansion of LiGe~2~(PO~4~)~3~","Journal of Solid State Chemistry","1991","90","","185","193","10.1016/0022-4596(91)90134-4","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1008543","8.7449","0.0003","8.7449","0.0013","21.819","0.001","90","","90","","120","","1445","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Dicopper(I) chromium zirconium tris(phosphate)","","- Cr Cu2 O12 P3 Zr -","- Cr Cu1.9998 O12 P3 Zr -","- Cr6 Cu11.9988 O72 P18 Zr6 -","6","0.166667","","Boireau, A; Soubeyroux, J L; Gravereau, P; Olazcuaga, R; Le Flem, G","Evidence of copper pairing in Cu~2~^I^CrZr(PO4/4)~3~, a crystallographic study","European Journal of Solid State Inorganic Chemistry","1993","30","","337","346","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1008577","8.9018","0.0002","8.9018","0.0002","22.2021","0.0006","90","","90","","120","","1523.6","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Copper(I) dizirconium phosphate","","- Cu O12 P3 Zr2 -","- Cu1.0002 O12 P3 Zr2 -","- Cu6.0012 O72 P18 Zr12 -","6","0.166667","","Bussereau, I; Belkhiria, M S; Gravereau, P; Boireau, A; Soubeyroux, J L; Olazcuaga, R; Le Flem, G","Structure of CuZr~2~(PO~4~)~3~ by X-ray and neutron powder diffraction","Acta Crystallographica C (39,1983-)","1992","48","","1741","1744","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1008578","8.892","0.001","8.892","0.001","22.19","0.001","90","","90","","120","","1519.5","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Copper(I) dizirconium phosphate","","- Cu O12 P3 Zr2 -","- Cu1.0002 O12 P3 Zr2 -","- Cu6.0012 O72 P18 Zr12 -","6","0.166667","","Bussereau, I; Belkhiria, M S; Gravereau, P; Boireau, A; Soubeyroux, J L; Olazcuaga, R; Le Flem, G","Structure of CuZr~2~(PO~4~)~3~ by X-ray and neutron powder diffraction","Acta Crystallographica C (39,1983-)","1992","48","","1741","1744","","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1008589","8.7449","0.0003","8.7449","0.0003","21.819","0.001","90","","90","","120","","1445","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Dicopper(I) chromium zirconium tris(phosphate)","","- Cr Cu2 O12 P3 Zr -","- Cr Cu1.9998 O12 P3 Zr -","- Cr6 Cu11.9988 O72 P18 Zr6 -","6","0.166667","","Boireau, A; Soubeyroux, J L; Gravereau, P; Olazcuaga, R; Le Flem, G","Structure of Cu^I^~2~CrZr(PO~4~)~3~ by powder neutron diffraction","Journal of Alloys Compd.","1992","188","","113","116","10.1016/0925-8388(92)90655-S","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1008728","8.84","0.01","8.84","0.01","22.31","0.04","90","","90","","120","","1509.9","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Deuterium copper zirconium phosphate(V) (0.36/0.52/2/3)","","- Cu0.516 D0.36 O12 P3 Zr2 -","- Cu0.516 D0.36 O12 P3 Zr2 -","- Cu3.096 D2.16 O72 P18 Zr12 -","6","0.166667","","Olazcuaga, R; Le Flem, G; Boireau, A; Soubeyroux, J L","The structure of the high temperature forms of Cu(II)0.5 Ti2 (P O4)3 and D0.5 Cu(I)0.5 Zr2 (P O4)3","Advanced Materials Research","1994","1","","177","188","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1008765","8.6548","0.0002","8.6548","0.0002","21.82179","0.0006","90","","90","","120","","1415.6","","","","","","","","","","","","synthetic","4","R -3 c :H","-R 3 2""c","167","","Sodium chromium phosphorus oxide (3/2/3/12) - HT","Nasicon chromous high","- Cr2 Na3 O12 P3 -","- Cr2 Na2.956 O12 P3 -","- Cr12 Na17.736 O72 P18 -","6","0.166667","","Lucazeau, G; Barj, M; Soubeyroux, J L; Dianoux, A J; Delmas, C","Neutron scattering annd diffraction study of Na3 Cr2 P3 O12, Na Zr2 P3 O12 and Na3 Zr Mg P3 O12","Solid State Ionics","1986","1819","","959","963","","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1008845","8.6548","0.0002","8.6548","0.0002","21.82178","0.0006","90","","90","","120","","1415.6","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Sodium chromium phosphorus oxide (3/2/3/12)","","- Cr2 Na3 O12 P3 -","- Cr2 Na2.91 O12 P3 -","- Cr12 Na17.46 O72 P18 -","6","0.166667","","Lucazeau, G; Barj, M; Soubeyroux, J L; Dianoux, A J; Delmas, C","Neutron scattering and diffraction study of Na3 Cr2 P3 O12, Na Zr2 P3 O12 and Na3 Zr Mg P3 O12","Solid State Ionics","1986","1819","","959","963","","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1008846","8.6476","0.0002","8.6476","0.0002","21.6169","0.0006","90","","90","","120","","1400","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Trisodium dichromium triphosphorus(V) oxide","","- Cr2 Na3 O12 P3 -","- Cr2 Na2.98 O12 P3 -","- Cr12 Na17.88 O72 P18 -","6","0.166667","","Lucazeau, G; Barj, M; Soubeyroux, J L; Dianoux, A J; Delmas, C","Neutron scattering and diffraction study of Na3 Cr2 P3 O12, Na Zr2 P3 O12 and Na3 Zr Mg P3 O12","Solid State Ionics","1986","1819","","959","963","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1008848","10.474","0.008","10.474","0.008","41.67999","0.05","90","","90","","120","","3959.9","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Trilithium trisodium cyclo-hexaphosphate dodecahydrate","","- H24 Li3 Na3 O30 P6 -","- H24 Li3 Na3 O30 P6 -","- H144 Li18 Na18 O180 P36 -","6","0.166667","","Averbuch-Pouchot, M T","On the existence of two new mixed-alkali cyclohexaphosphates Li3 Na3 P6 O18 (H2 O)12 and Li3 K3 P6 O18 (H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","574","","225","234","","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00","" "1100067","9.0429","0.0001","9.0429","0.0001","12.5664","0.0001","90","","90","","120","","889.834","0.03","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Strontium Boron Oxide (3/2/6)","","- B2 O6 Sr3 -","- B2 O6 Sr3 -","- B12 O36 Sr18 -","6","0.166667","","Wei, Z. F.; Chen, X. L.; Wang, F. M.; Li, W. C.; He, M.; Zhang, Y.","Phase relations in the ternary system SrO-TiO~2~-B~2~O~3~","Journal of Alloys and Compounds","2001","327","1-2","10","13","10.1016/S0925-8388(01)01564-X","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","200379","2020-10-21","18:00:00","" "1100258","15.835","0.001","15.835","0.001","117.553","0.005","90","","90","","120","","25527","","","","193","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","(μ~3~-Triphenylphosphanimino)-tris(μ~3~-N-(triphenylphosphino)imino(dimethyl )siloxy)-(dimethoxyethane-O)-tetra-lithium dimethoxyethane solvate","","- C84 H93 Li4 N4 O6 P4 Si3 -","- C263 H234 Li10 N10 O17 P10 Si9 -","- C3156 H2808 Li120 N120 O204 P120 Si108 -","12","0.333333","","Gröb, Thorsten; Chitsaz, Soheila; Harms, Klaus; Dehnicke, Kurt","Phosphaniminate von Alkalimetallen: Die Kristallstrukturen von [KNPCy~3~]~4~, [KNPCy~3~]~4~·2OPCy~3~, [CsNPCy~3~]~4~·4OPCy~3~ und [Li~4~(NPPh~3~)(OSiMe~2~NPPh~3~)~3~(DME)]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","2","473","479","10.1002/1521-3749(200202)628:2<473::AID-ZAAC473>3.0.CO;2-Z","","","","","","","4.95","","","4.95","","","","","","","","","","","has coordinates","176949","2020-10-21","18:00:00","" "1506091","16.4842","0.0006","16.4842","0.0006","40.118","0.003","90","","90","","120","","9440.7","0.9","223","2","223","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","5-Thiophen-2-yl-2H-[1,2,3]triazole-4-carboxylic acid methyl ester","","- C8 H7 N3 O2.5 S -","- C8 H7 N3 O2.5 S -","- C288 H252 N108 O90 S36 -","36","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0864","0.0551","","","0.1487","0.1612","","","","","","1.002","","","","has coordinates","176435","2020-10-21","18:00:00","" "1508092","20.043","0.003","20.043","0.003","55.912","0.011","90","","90","","120","","19452","6","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","cage3a-catenane","","","- C115 H154 N24 O10 -","- C114.98 H127.92 N24 O9.98 -","- C689.88 H767.52 N144 O59.88 -","6","0.166667","","Hasell, Tom; Wu, Xiaofeng; Jones, James T. A.; Bacsa, John; Steiner, Alexander; Mitra, Tamoghna; Trewin, Abbie; Adams, Dave J.; Cooper, Andrew I.","Triply interlocked covalent organic cages.","Nature chemistry","2010","2","9","750","755","10.1038/nchem.739","","","0.71073","MoKα","","0.1655","0.1286","","","0.3111","0.3396","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00","" "1508153","36.3354","0.0007","36.3354","0.0007","24.3428","0.0004","90","","90","","120","","27833.1","0.9","173.1","","173.1","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C52 H100 Mo2 N12 P4 -","- C52 H86 Mo2 N12 P4 -","- C936 H1548 Mo36 N216 P72 -","18","0.5","","Arashiba, Kazuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia.","Nature chemistry","2011","3","2","120","125","10.1038/nchem.906","","","0.71075","MoKα","","","0.0366","","","","0.0933","","","","","","1.01","","","","has coordinates","176435","2020-10-21","18:00:00","" "1508154","36.1127","0.0007","36.1127","0.0007","24.6029","0.0005","90","","90","","120","","27786.7","0.9","173.1","","173.1","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C56 H100 Mo2 N4 O4 P4 -","- C56 H100 Mo2 N4 O4 P4 -","- C1008 H1800 Mo36 N72 O72 P72 -","18","0.5","","Arashiba, Kazuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia.","Nature chemistry","2011","3","2","120","125","10.1038/nchem.906","","","0.71075","MoKα","","","0.0368","","","","0.1039","","","","","","1.016","","","","has coordinates","176435","2020-10-21","18:00:00","" "1508503","5.38641","0.00016","5.38641","0.00016","13.1907","0.0006","90","","90","","120","","331.43","0.02","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Lanthanum Aluminate","","- Al La O3 -","- Al La O3 -","- Al6 La6 O18 -","6","0.166667","","Hayward, S.A.; Morrison, F.D.; Redfern, S.A.T.; Salje, E.K.H.; Scott, J.F.; Knight, K.S.; Tarantino, S.; Glazer, A.M.; Shuvaeva, V.; Daniel, P.; Zhang, M.; Carpenter, M.A.","Transformation processes in LaAlO3: neutron diffraction, dielectric, thermal, optical and Raman studies","Physical Review B","2005","72","5","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00","" "1509627","22.077","","22.077","","12.814","","90","","90","","120","","5408.73","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Ag12.3 Yb3 (Si12 O36)","","- Ag12.3 O36 Si12 Yb3 -","- Ag12.313 O36 Si12 Yb3 -","- Ag73.878 O216 Si72 Yb18 -","6","0.166667","","Ponomarev, V.I.; Atovmyan, L.O.; Bakaev, V.A.; Ukshe, E.A.; Alimova, L.D.; Filipenko, O.S.; Leonova, L.S.","Conduction channels in solid electrolytes: crystal structures of Na5 Yb Si O12 and Ag5 Yb Si4 O12.","Kristallografiya","1988","33","","82","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1509633","22.175","","22.175","","12.863","","90","","90","","120","","5477.72","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Ag15 Ho3 (Si12 O36)","","- Ag15 Ho3 O36 Si12 -","- Ag14.76 Ho3 O36 Si12 -","- Ag88.56 Ho18 O216 Si72 -","6","0.166667","","Atovmyan, L.O.; Ukshe, E.A.; Leonova, L.S.; Bakaev, V.A.; Filipenko, O.S.; Ponomarev, V.I.","The crystal structure of Ag5 Ho Si4 O12. The study of the cinductivity path ways in solid electrodes of Na5 Tr Si4 O12 by the method of ion substitution","Doklady Akademii Nauk SSSR","1981","262","","638","642","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1509636","11.442","","11.442","","4.1971","","90","","90","","120","","475.865","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Ag16 Tl2 Te11","","- Ag16 Te11 Tl2 -","- Ag16.05 Te11 Tl2 -","- Ag96.3 Te66 Tl12 -","6","0.166667","","Paccard, L.; Paccard, D.; Tedenac, J.C.; Brun, G.","A new phase in the Ti - Ag - Te system: crystal structure of TI2 Ag16 Te11","Journal of Alloys Compd.","1992","184","","337","342","10.1016/0925-8388(92)90508-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1509637","11.442","","11.442","","41.971","","90","","90","","120","","4758.65","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Tl2 Ag16.05 Te11","","- Ag16.05 Te11 Tl2 -","- Ag16.05 Te11 Tl2 -","- Ag96.3 Te66 Tl12 -","6","0.166667","","Tedenac, J.C.; Paccard, L.; Paccard, D.; Brun, G.","A new phase in the Tl-Ag-Te system: crystal structure of Tl2Ag16Te11","Journal of Alloys Compd.","1992","184","","337","342","10.1016/0925-8388(92)90508-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1509894","9.878","","9.878","","13.512","","90","","90","","120","","1141.8","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ag3 B O3 -","- Ag3 B O3 -","- Ag36 B12 O36 -","12","0.333333","","Jansen, M.; Brachtel, G.","Ag3 B O3-II, eine neue Form von Silber(I)-Orthoborat","Zeitschrift fuer Anorganische und Allgemeine Chemie","1982","489","","42","46","10.1002/zaac.19824890106","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1509923","5.9366","","5.9366","","32.1471","","90","","90","","120","","981.178","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Ag5 (I O6)","","- Ag5 I O6 -","- Ag5 I O6 -","- Ag30 I6 O36 -","6","0.166667","","Jansen, M.; Kovalevskiy, A.","Synthesis, crystal structure determination, and physical properties of Ag5 I O6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","577","581","10.1002/zaac.200500476","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510022","8.986","","8.986","","22.605","","90","","90","","120","","1580.77","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Ag3 Sc2 (P O4)3","","- Ag3 O12 P3 Sc2 -","- Ag3.0498 O12 P3 Sc2 -","- Ag18.2988 O72 P18 Sc12 -","6","0.166667","","Tkachev, V.V.; Atovmyan, L.O.","Structure of superionic Ag3 Sc2 (P O4)3 crystals produced from Na3 Sc2 (P O4)3 single crystals by ion exchange","Russian Journal of Coordination Chemistry","1995","21","","562","564","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510251","7.623","","7.623","","16.672","","90","","90","","120","","839.016","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Na3 (Au S2)","","- Au Na3 S2 -","- Au Na3 S2 -","- Au6 Na18 S12 -","6","0.166667","","Bronger, W.; Klepp, K.O.","Darstellung und Kristallstruktur von Na3 Au S2. Ein Thioaurat mit isolierten Anionen","Journal of the Less-Common Metals","1987","132","","173","179","10.1016/0022-5088(87)90574-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510495","10.562","","10.562","","16.337","","90","","90","","120","","1578.32","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","La (Au F4)3","","- Au3 F12 La -","- Au3 F12 La -","- Au18 F72 La6 -","6","0.166667","","Graudejus, O.; Mueller, B.G.","Zur Kristallstruktur von La(AuF4)3, dem Anfangsglied der Reihe M (Au F4)(3-x) F(x) (x = 0, 0,5 und 1)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","187","190","10.1002/zaac.19966220127","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510680","9.069","","9.069","","12.542","","90","","90","","120","","893.339","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Eu3 (B O3)2","","- B2 Eu3 O6 -","- B2 Eu3 O6 -","- B12 Eu18 O36 -","6","0.166667","","Shiokawa, J.; Machida, K.I.; Hata, H.; Adachi, G.Y.","The crystal structure and magnetic property of europium(II) orthoborate","Bulletin of the Chemical Society of Japan","1981","54","","1052","1055","10.1246/bcsj.54.1052","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510806","8.7764","","8.7764","","37.648","","90","","90","","120","","2511.34","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Eu2 Ca O (B O3)2","","- B2 Ca Eu2 O7 -","- B2 Ca Eu2 O7 -","- B36 Ca18 Eu36 O126 -","18","0.5","","Dzhurinskii, B.F.; Ilyukhin, A.B.","Crystal structures of double oxoborates LnCa4O(BO3)3 (Ln=Gd, Tb, Lu) and Eu2CaO(BO3)2","Zhurnal Neorganicheskoi Khimii","1993","38","","917","920","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510923","15.52","","15.52","","8.424","","90","","90","","120","","1757.24","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","K3 (B3 S6)","","- B3 K3 S6 -","- B3 K3 S6 -","- B18 K18 S36 -","6","0.166667","","Diercks, H.; Krebs, B.; Puettmann, C.","Synthesis, crystal structures and properties of M3 B3 S6 (M=Na,K,Rb) and Li Sr B3 S6","Phosphorus, Sulfur, Silicon and Related Elements","1992","65","","1","4","10.1080/10426509208055305","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510937","12.1195","","12.1195","","7.0153","","90","","90","","120","","892.373","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Pr3 (B3 N6)","","- B3 N6 Pr3 -","- B3 N6 Pr3 -","- B18 N36 Pr18 -","6","0.166667","","Schnick, W.; Orth, M.","Zur Kenntnis von Tripraseodymium-hexanitridotriborat Pr3 B3 N6: Neue Synthese und Verfeinerung der Kristallstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","551","554","10.1002/(SICI)1521-3749(199904)625:4<551::AID-ZAAC551>3.0.CO;2-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510938","15.118","","15.118","","7.512","","90","","90","","120","","1486.88","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Na3 (B3 S6)","","- B3 Na3 S6 -","- B3 Na3 S6 -","- B18 Na18 S36 -","6","0.166667","","Puettmann, C.; Diercks, H.; Krebs, B.","Synthesis, crystal structures and properties of M3 B3 S6 (M=Na,K,Rb) and Li Sr B3 S6","Phosphorus, Sulfur, Silicon and Related Elements","1992","65","","1","4","10.1080/10426509208055305","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510950","15.813","","15.813","","8.804","","90","","90","","120","","1906.51","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Rb3 (B3 S6)","","- B3 Rb3 S6 -","- B3 Rb3 S6 -","- B18 Rb18 S36 -","6","0.166667","","Krebs, B.; Diercks, H.; Puettmann, C.","Synthesis, crystal structures and properties of M3 B3 S6 (M=Na,K,Rb) and Li Sr B3 S6","Phosphorus, Sulfur, Silicon and Related Elements","1992","65","","1","4","10.1080/10426509208055305","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511045","12.777","","12.777","","34.668","","90","","90","","120","","4901.37","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Cs (Zr Cl5) Cs2 ((Zr6 B) Cl14.57 I0.43)","","- B Cl19.57 Cs3 I0.43 Zr7 -","- B Cl19.574 Cs3 I0.426 Zr7 -","- B6 Cl117.444 Cs18 I2.556 Zr42 -","6","0.166667","","Rohm, H.W.; Koeckerling, M.","New double salts with boron-centered zirconium clusters: syntheses and structures of Cs (Zr Cl5) * Cs2 ((Zr6 B) X15) (X = Cl or (Cl + I)) and anion distribution in the mixed halide phase","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","2356","2362","10.1002/zaac.200300250","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511047","12.765","","12.765","","34.652","","90","","90","","120","","4889.91","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Cs (Zr Cl5) Cs2 ((Zr6 B) Cl15)","","- B Cl20 Cs3 Zr7 -","- B Cl20 Cs3 Zr7 -","- B6 Cl120 Cs18 Zr42 -","6","0.166667","","Koeckerling, M.; Rohm, H.W.","New double salts with boron-centered zirconium clusters: syntheses and structures of Cs (Zr Cl5) * Cs2 ((Zr6 B) X15) (X = Cl or (Cl + I)) and anion distribution in the mixed halide phase","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","2356","2362","10.1002/zaac.200300250","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511080","13.637","","13.637","","8.365","","90","","90","","120","","1347.21","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Cs (B O2)","","- B Cs O2 -","- B Cs O2 -","- B18 Cs18 O36 -","18","0.5","","Hoppe, R.; Schlaeger, M.","Darstellung und Kristallstruktur von Cs B O2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","1867","1871","10.1002/zaac.19946201106","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511131","4.626","","4.626","","14.493","","90","","90","","120","","268.596","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Fe B O3","","- B Fe O3 -","- B Fe O3 -","- B6 Fe6 O18 -","6","0.166667","","Diehl, R.","Crystal structure refinement of ferric borate, Fe B O3","Solid State Communications","1975","17","","743","745","10.1016/0038-1098(75)90399-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511688","18.146","","18.146","","25.98","","90","","90","","120","","7408.52","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","K4 Ba11 (B S3)8 S","","- B8 Ba11 K4 S25 -","- B8 Ba11.01 K3.99 S25 -","- B48 Ba66.06 K23.94 S150 -","6","0.166667","","Koester, C.; Krebs, B.; Jansen, C.; Kueper, J.; Hammerschmidt, A.","Syntheses, crystal structures, and properties of the novel thioborates K Ba4 (B S3)3 and K4 Ba11 (B S3)8 S","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","669","674","10.1002/1521-3749(200104)627:4<669::AID-ZAAC669>3.0.CO;2-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511703","10.982","","10.982","","17.067","","90","","90","","120","","1782.59","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Li Ba (B9 O15)","","- B9 Ba Li O15 -","- B9 Ba Li O15 -","- B54 Ba6 Li6 O90 -","6","0.166667","","Dimitrova, O.V.; Merlino, S.; Pasero, M.; Gobechiya, E.R.; Pushcharovskii, D.Yu.","Hydrothermal synthesis and crystal structures of (Li, Ba)- nanoborate, Li Ba B9 O15, and Ba-borophosphate, Ba B P O5","Journal of Alloys Compd.","2002","339","","70","75","10.1016/S0925-8388(01)02017-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1512248","8.6283","0.0016","8.6283","0.0016","10.604","0.002","90","","90","","120","","683.7","0.2","295","","295","","","","15000000","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- C O2 -","- C1.0005 O1.9995 -","- C24.012 O47.988 -","24","0.666667","","Datchi, Frédéric; Giordano, Valentina M.; Munsch, Pascal; Saitta, A. Marco","Structure of Carbon Dioxide Phase IV: Breakdown of the Intermediate Bonding State Scenario","Physical Review Letters","2009","103","18","185701","","10.1103/PhysRevLett.103.185701","","","0.41431","?l_a","","0.034","0.0291","","0.0396","0.0359","0.0396","","","","","","1.1682","","","","has coordinates","209050","2020-10-21","18:00:00","" "1513505","21.1359","0.0007","21.1359","0.0007","40.1543","0.0019","90","","90","","120","","15534.7","1","223","","223","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C54.5 H42.5 Cl1.5 N6 O3 -","- C54.5 H42.5 Cl1.5 N6 O3 -","- C654 H510 Cl18 N72 O36 -","12","0.333333","","Abe, Hajime; Ohtani, Kohei; Suzuki, Daiki; Chida, Yusuke; Shimada, Yuta; Matsumoto, Shinya; Inouye, Masahiko","Alternating 2,6-/3,5-Substituted Pyridine-Acetylene Macrocycles: π-Stacking Self-Assemblies Enhanced by Intermolecular Dipole-Dipole Interaction.","Organic letters","2014","16","3","828","831","10.1021/ol403579e","","","0.71075","MoKα","","","0.0632","","","","0.163","","","","","","1.006","","","","has coordinates","176435","2020-10-21","18:00:00","" "1513635","16.272","0.003","16.272","0.003","10.968","0.002","90","","90","","120","","2515","0.8","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C15 H21 Co Li O6 -","- C15 H21 Co Li O6 -","- C90 H126 Co6 Li6 O36 -","6","0.166667","","Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V.","Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures","Chemical Science","2014","5","2","813","","10.1039/c3sc52657g","","","0.71073","Mo-Kα","","0.039","0.0314","","","0.0607","0.0615","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00","" "1513659","34.773","0.003","34.773","0.003","39.676","0.003","90","","90","","120","","41547","6","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H24 Cl6 O207.75 V30 -","- C72 H24 Cl6 O201.75 V30 -","- C432 H144 Cl36 O1210.5 V180 -","6","0.166667","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks","Chemical Science","2014","5","3","927","","10.1039/c3sc53099j","","","0.71073","MoKα","","0.1954","0.0877","","","0.1946","0.2524","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00","" "1513864","26.669","0.003","26.669","0.003","86.622","0.004","90","","90","","120","","53355","9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C49.5 H36 N0 O19 Zn4 -","- C49.5 H36 O19 Zn4 -","- C594 H432 O228 Zn48 -","12","0.333333","","Shen, Ping; He, Wen-Wen; Du, Dong-Ying; Jiang, Hai-Long; Li, Shun-Li; Lang, Zhong-Ling; Su, Zhong-Min; Fu, Qiang; Lan, Ya-Qian","Solid-state structural transformation doubly triggered by reaction temperature and time in 3D metal-organic frameworks: great enhancement of stability and gas adsorption","Chemical Science","2014","5","4","1368","","10.1039/c3sc52666f","","","0.71069","MoKα","","0.1675","0.0403","","","0.078","0.0941","","","","","","0.7","","","","has coordinates","176435","2020-10-21","18:00:00","" "1514443","29.36","0.004","29.36","0.004","20.776","0.003","90","","90","","120","","15510","4","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H43 N6 Ni3 O13 -","- C72 H43 N6 Ni3 O13 -","- C432 H258 N36 Ni18 O78 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0988","0.0691","","","0.1739","0.187","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00","" "1514444","29.87","0.004","29.87","0.004","12.0337","0.0015","90","","90","","120","","9298","2","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H43 N6 Ni3 O13 -","- C72 H43 N6 Ni3 O13 -","- C432 H258 N36 Ni18 O78 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.1412","0.0873","","","0.171","0.1949","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00","" "1514445","29.884","0.004","29.884","0.004","11.8868","0.0014","90","","90","","120","","9193","2","93","2","93","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H43 N6 Ni3 O13 -","- C72 H43 N6 Ni3 O13 -","- C432 H258 N36 Ni18 O78 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0966","0.0786","","","0.183","0.1938","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00","" "1514446","29.347","0.002","29.347","0.002","21.287","0.0017","90","","90","","120","","15877","2","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C82 H83 N6 Ni3 O23 -","- C82 H83.08 N6 Ni3 O23 -","- C492 H498.48 N36 Ni18 O138 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0863","0.0727","","","0.2059","0.2214","","","","","","1.075","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00","" "1514447","29.368","0.002","29.368","0.002","20.868","0.0015","90","","90","","120","","15586.9","1.9","119","2","119","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C90 H115 N6 Ni3 O31 -","- C89.98 H114.98 N6 Ni3 O30.98 -","- C539.88 H689.88 N36 Ni18 O185.88 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0871","0.0767","","","0.205","0.2183","","","","","","1.09","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00","" "1514448","29.05","0.002","29.05","0.002","24.502","0.002","90","","90","","120","","17907","2","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C108 H127 N18 Ni3 O25 -","- C108 H127 N18 Ni3 O25 -","- C648 H762 N108 Ni18 O150 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0976","0.0785","","","0.2197","0.2405","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00","" "1514449","29.106","0.003","29.106","0.003","23.417","0.002","90","","90","","120","","17180","3","119","2","119","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C108 H127 N18 Ni3 O25 -","- C108 H127 N18 Ni3 O25 -","- C648 H762 N108 Ni18 O150 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.1246","0.1087","","","0.2907","0.307","","","","","","1.167","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00","" "1514450","29.151","0.003","29.151","0.003","23.07","0.002","90","","90","","120","","16978","3","119","2","119","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C108 H127 N18 Ni3 O25 -","- C108 H127 N18 Ni3 O25 -","- C648 H762 N108 Ni18 O150 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.1399","0.1056","","","0.2761","0.3069","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00","" "1514451","28.548","0.004","28.548","0.004","26.592","0.003","90","","90","","120","","18769","4","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C109.5 H80.5 N13.5 Ni3 O13 -","- C109.5 H80.5 N13.5 Ni3 O13 -","- C657 H483 N81 Ni18 O78 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.1926","0.0979","","","0.2434","0.2767","","","","","","1.049","","","","has coordinates","176435","2020-10-21","18:00:00","" "1514452","19.4312","0.001","19.4312","0.001","45.631","0.003","90","","90","","120","","14920.7","1.5","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C57 H34 Co3 N3 O13 -","- C57 H34 Co3 N3 O13 -","- C342 H204 Co18 N18 O78 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0491","0.0461","","","0.1377","0.1396","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00","" "1515592","17.249","0.002","17.249","0.002","81.989","0.016","90","","90","","120","","21126","5","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C132 H202 N6 O6 S U2 -","- C131.9 H174 N6 O6 S U2 -","- C791.4 H1044 N36 O36 S6 U12 -","6","0.166667","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.1182","0.0563","","","0.1192","0.1305","","","","","","1.364","","","","has coordinates","176432","2020-10-21","18:00:00","" "1515625","13.4133","0.0009","13.4133","0.0009","92.656","0.012","90","","90","","120","","14437","2","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C90 H48 B6 Cl12 N12 O12 -","- C90 H48 B6 Cl12 N12 O12 -","- C540 H288 B36 Cl72 N72 O72 -","6","0.166667","","Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay","Dative boron‒nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages","Chemical Science","2011","2","9","1719","","10.1039/c1sc00320h","","","0.71073","MoKα","","0.09","0.0761","","","0.1394","0.1452","","","","","","1.264","","","","has coordinates","176729","2020-10-21","18:00:00","" "1515627","13.5162","0.0006","13.5162","0.0006","93.155","0.005","90","","90","","120","","14738.3","1.2","293","2","0","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C108 H60 B6 Cl12 N12 O12 -","- C108 H60 B6 Cl12 N12 O12 -","- C648 H360 B36 Cl72 N72 O72 -","6","0.166667","","Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay","Dative boron‒nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages","Chemical Science","2011","2","9","1719","","10.1039/c1sc00320h","","","1.54186","CuKα","","0.0763","0.0459","","","0.1195","0.1307","","","","","","0.809","","","","has coordinates","176729","2020-10-21","18:00:00","" "1515628","13.5417","0.0003","13.5417","0.0003","118.223","0.007","90","","90","","120","","18775","1.3","270","2","270","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C144 H84 B6 Cl12 N12 O12 -","- C144 H84 B6 Cl12 N12 O12 -","- C864 H504 B36 Cl72 N72 O72 -","6","0.166667","","Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay","Dative boron‒nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages","Chemical Science","2011","2","9","1719","","10.1039/c1sc00320h","","","1.54186","CuKα","","0.0592","0.0555","","","0.1554","0.1587","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00","" "1516998","20.251","0.001","20.251","0.001","32.903","0.002","90","","90","","120","","11685.8","1.1","233","2","233","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C81 H66 Cl6 Co3 Li2 N6 O7 -","- C81 H60 Cl6 Co3 Li2 N6 O7 -","- C486 H360 Cl36 Co18 Li12 N36 O42 -","6","0.166667","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.0568","0.0393","","","0.0902","0.0979","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00","" "1517988","12.501","0.002","12.501","0.002","32.943","0.007","90","","90","","120","","4458.4","1.4","","","293","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C12 H12 Cs2 Fe2 N12 O6 Zn3 -","- C12 Cs2.004 Fe2 N12 O5.52 Zn3 -","- C72 Cs12.024 Fe12 N72 O33.12 Zn18 -","6","0.166667","","Gravereau, Pierre; Garnier, Emmanuel","Crystal structure and characterization of Cs2Zn3[Fe(CN)6]2.xH2O","Revue de Chimie Minerale'","1983","20","","68","77","","","x-ray","0.71069","MoKα","","","0.044","","","0.048","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1518059","16.144","0.007","16.144","0.007","27.523","0.007","90","","90","","120","","6212","4","","","293","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C12 H48 Ba3 N12 Sb2 Se6 -","- C12 Ba3 N12 Sb2 Se6 -","- C72 Ba18 N72 Sb12 Se36 -","6","0.166667","","Konig, Karl-Theodor; Eisenmann, Brigitte; Schafer, Herbert","[Ba-(en)2]3(SbSe3)2 : A salt with a molecular structure","Revue de Chimie Minerale","1984","21","","640","647","","","x-ray","0.71069","MoKα","","","","","","0.049","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1518102","6.198","0.003","6.198","0.003","36.56","0.02","90","","90","","120","","1216.3","1.1","","","293","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Na2 O11 Ta4 -","- Na2 O11 Ta4 -","- Na12 O66 Ta24 -","6","0.166667","","Mattes, R.; Schaper, J.","Die struktur von Na2Ta4O11","Revue de Chimie Minerale","1985","22","","817","820","","","x-ray","0.71069","MoKα","","","0.048","","","0.044","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1518739","14.2066","0.0008","14.2066","0.0008","33.41","0.002","90","","90","","120","","5839.7","0.6","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H24 Cl3 S6 Sb3 -","- C18 H18 Cl3 S6 Sb3 -","- C108 H108 Cl18 S36 Sb18 -","6","0.166667","","Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.","Self-assembled trinuclear arsenic and antimony macrobicycles","Chem. Sci.","2015","6","4","2444","","10.1039/C4SC04042B","","","1.54178","CuKα","","0.0597","0.0532","","","0.1446","0.1493","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519018","9.1227","0.0009","9.1227","0.0009","10.5811","0.0017","90","","90","","120","","762.62","0.16","","","295","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ca3 Mn1.08 Ni0.92 O6 -","- Ca3 Mn1.08 Ni0.92 O6 -","- Ca18 Mn6.48 Ni5.52 O36 -","6","0.166667","","Bazuev, G. V.; Zubkov, V. G.; Berger, I. F.; Arbuzova, T. I.","Crystal structure and magnetic properties of a one dimensional complex oxide Ca3NiMnO6","Solid State Sciences","1999","1","","365","372","","powder diffraction","neutron","1.5147","","","","","","","","","","0.0296","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1520321","4.5659","0.0001","4.5659","0.0001","14.1764","0.0004","90","","90","","120","","255.947","0.011","100","2","100","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B Ga O3 -","- B Ga O3 -","- B6 Ga6 O18 -","6","0.166667","","Wang, Shichao; Ye, Ning; Poeppelmeier, Kenneth","Flux Growth and Crystal Structure Refinement of Calcite Type Borate GaBO3","Crystals","2015","5","2","252","","10.3390/cryst5020252","","x-ray","0.71073","MoKα","","0.0155","0.0153","","","0.0432","0.0433","","","","","","1.172","","","","has coordinates","176428","2020-10-21","18:00:00","" "1520845","13.354","","13.354","","18.335","","90","","90","","120","","2831.62","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Na3 Y0.111 Al1.887 (As O4)3","","- Al1.887 As3 Na3 O12 Y0.111 -","- Al1.887 As3 Na3 O12 Y0.111 -","- Al22.644 As36 Na36 O144 Y1.332 -","12","0.333333","","Belam, W.; Daoud, A.; Driss, A.; Madani, A.","Elaboration et etude radiocristallographique du trisodium yttrium-aluminium triarsenic dodecaoxyde Na3 Y0.11 Al1.89 (As O4)3 R . Effet du dopage par Na2 O sur la conductivite electrique","Journal de la Societe Chimique, Tunis","2000","4","","735","743","","","","","","","","","","","","","","","","","","","","","","has coordinates","140400","2020-10-21","18:00:00","" "1520848","5.0293","","5.0293","","13.7648","","90","","90","","120","","301.52","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Fe1.696 Ti0.228 O3","","- Fe1.696 O3 Ti0.228 -","- Fe1.696 O3 Ti0.228 -","- Fe10.176 O18 Ti1.368 -","6","0.166667","","Berry, F.J.; Greaves, C.; Williams, R.T.; Helgason, O.; McManus, J.; Palmer, H.M.","Structural and magnetic properties of Sn-, Ti-, and Mg-substituted alpha-(Fe2 O3): a study by neutron diffraction and Mossbauer spectroscopy","Journal of Solid State Chemistry","2000","151","","157","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","140404","2020-10-21","18:00:00","" "1520849","5.0506","","5.0506","","13.7919","","90","","90","","120","","304.678","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Fe1.886 Mg0.171 O3 -","- Fe1.886 Mg0.171 O3 -","- Fe11.316 Mg1.026 O18 -","6","0.166667","","Berry, F.J.; Greaves, C.; McManus, J.; Helgason, O.; Palmer, H.M.; Williams, R.T.","Structural and magnetic properties of Sn-, Ti-, and Mg-substituted alpha-(Fe2 O3): a study by neutron diffraction and Mossbauer spectroscopy","Journal of Solid State Chemistry","2000","151","","157","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1520857","5.0744","","5.0744","","69.94049","","90","","90","","120","","1559.66","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Li27.84 Ti36.816 Nb1.344 O90","","- Li27.84 Nb1.344 O90 Ti36.816 -","- Li27.84 Nb1.344 O90 Ti36.816 -","- Li27.84 Nb1.344 O90 Ti36.816 -","1","0.0277778","","Bordet, P.; Hodeau, J.L.; Grey, I.E.; Bougerol-Chaillout, C.; Isnard, O.","Structural characterization of the engineered scavenger compound, H- (Li2 Ti3 O7)","Journal of Solid State Chemistry","2000","152","","546","553","","","","","","","","","","","","","","","","","","","","","","has coordinates","140417","2020-10-21","18:00:00","" "1520860","5.126","","5.126","","70.6122","","90","","90","","120","","1606.82","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Li27.84 Ti36.816 Nb1.344 O90","","- Li27.84 Nb1.344 O90 Ti36.816 -","- Li27.84 Nb1.344 O90 Ti36.816 -","- Li27.84 Nb1.344 O90 Ti36.816 -","1","0.0277778","","Bordet, P.; Bougerol-Chaillout, C.; Grey, I.E.; Hodeau, J.L.; Isnard, O.","Structural characterization of the engineered scavenger compound, H- (Li2 Ti3 O7)","Journal of Solid State Chemistry","2000","152","","546","553","","","","","","","","","","","","","","","","","","","","","","has coordinates","140420","2020-10-21","18:00:00","" "1520896","5.4765","","5.4765","","13.3892","","90","","90","","120","","347.769","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(Pr Sr2) Fe3 O8.83","","- Fe3 O8.83 Pr Sr2 -","- Fe3 O8.829 Pr0.999 Sr2.001 -","- Fe6 O17.658 Pr1.998 Sr4.002 -","2","0.0555556","","Brinks, H.W.; Fjellvag, H.; Kjekshus, A.; Hauback, B.C.","Structure and magnetism of Pr1-x Srx Fe O3-d","Journal of Solid State Chemistry","2000","150","","233","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1520915","4.944","","4.944","","13.569","","90","","90","","120","","287.234","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(Cr1.776 Mo0.112) O3","","- Cr1.776 Mo0.112 O3 -","- Cr1.776 Mo0.112 O3 -","- Cr10.656 Mo0.672 O18 -","6","0.166667","","Buehler, R.; Guenter, J.R.; Baerlocher, C.","Preparation and characterization of a new ternary chromium(III)- molybdenum(VI) oxide Cr2-2x Mox O3","Journal of Solid State Chemistry","1998","140","","350","353","","","","","","","","","","","","","","","","","","","","","","has coordinates","140485","2020-10-21","18:00:00","" "1520951","5.5432","","5.5432","","13.425","","90","","90","","120","","357.245","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","La0.85 Ba0.15 Mn O3","","- Ba0.15 La0.85 Mn O3 -","- Ba0.15 La0.85 Mn O3 -","- Ba0.9 La5.1 Mn6 O18 -","6","0.166667","","Cherepanov, V.A.; Filonova, E.A.; Voronin, V.I.; Berger, I.F.","Phase equilibria in the (La Co O3) - (La Mn O3) -(Ba Co Oz) (Ba Mn O3) system","Journal of Solid State Chemistry","2000","153","","205","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1520952","5.5433","","5.5433","","13.471","","90","","90","","120","","358.482","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","La0.775 Ba0.225 Mn O3","","- Ba0.225 La0.775 Mn O3 -","- Ba0.225 La0.775 Mn O3 -","- Ba1.35 La4.65 Mn6 O18 -","6","0.166667","","Cherepanov, V.A.; Voronin, V.I.; Filonova, E.A.; Berger, I.F.","Phase equilibria in the (La Co O3) - (La Mn O3) -(Ba Co Oz) (Ba Mn O3) system","Journal of Solid State Chemistry","2000","153","","205","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1520965","8.2896","","8.2896","","39.054","","90","","90","","120","","2324.15","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Fe (P3 Si O11)","","- Fe O11 P3 Si -","- Fe O11 P3 Si -","- Fe12 O132 P36 Si12 -","12","0.333333","","Elbouaanani, L.K.; Malaman, B.; Gerardin, R.","Synthesis, crystal structure, and magnetic properties of Fe P3 Si O11: first example of iron(III) silicophosphate","Journal of Solid State Chemistry","1999","147","","565","572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1521105","5.5235","","5.5235","","13.398","","90","","90","","120","","353.997","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.7 Pb0.3) (Mn0.9 Fe0.1) O3","","- Fe0.1 La0.7 Mn0.9 O3 Pb0.3 -","- Fe0.1 La0.7 Mn0.9 O3 Pb0.3 -","- Fe0.6 La4.2 Mn5.4 O18 Pb1.8 -","6","0.166667","","Gutierrez, J.; Pena, A.; Barandiaran, J.M.; Pizarro, J.L.; Lezama, L.; Insausti, M.; Rojo, T.","Structural, magnetic and magnetotransport properties of La0.7 Pb0.3 Mn0.9 TM0.1 O3 (TM = Fe, Co, Ni) CMR perovskites","Journal of Physics: Condensed Matter","2000","12","","10523","10534","","","","","","","","","","","","","","","","","","","","","","has coordinates","140748","2020-10-21","18:00:00","" "1521106","5.492","","5.492","","13.331","","90","","90","","120","","348.221","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.7 Pb0.3) (Mn0.9 Ni0.1) O3","","- La0.7 Mn0.9 Ni0.1 O3 Pb0.3 -","- La0.7 Mn0.9 Ni0.1 O3 Pb0.3 -","- La4.2 Mn5.4 Ni0.6 O18 Pb1.8 -","6","0.166667","","Gutierrez, J.; Barandiaran, J.M.; Pena, A.; Rojo, T.; Pizarro, J.L.; Insausti, M.; Lezama, L.","Structural, magnetic and magnetotransport properties of La0.7 Pb0.3Mn0.9 TM0.1 O3 (TM = Fe, Co, Ni) CMR perovskites","Journal of Physics: Condensed Matter","2000","12","","10523","10534","","","","","","","","","","","","","","","","","","","","","","has coordinates","140749","2020-10-21","18:00:00","" "1521156","5.503","","5.503","","13.34241","","90","","90","","120","","349.916","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.7 Sr0.3) (Mn O3)","","- La0.7 Mn O3 Sr0.3 -","- La0.7 Mn O3 Sr0.3 -","- La4.2 Mn6 O18 Sr1.8 -","6","0.166667","","Hibble, S.J.; Cooper, S.P.; Fawcett, I.D.; Hannon, A.C.; Greenblatt, M.","Local distortions in the colossal magnetoresistive manganates La0.70 Ca0.30 Mn O3, La0.80 Ca0.20 Mn O3 and La0.70 Sr0.30 Mn O3 revealed by total neutron diffraction","Journal of Physics: Condensed Matter","1999","11","","9221","9238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1521175","5.3504","","5.3504","","13.0474","","90","","90","","120","","323.465","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Pr (Al O3)","","- Al O3 Pr -","- Al O3 Pr -","- Al6 O18 Pr6 -","6","0.166667","","Howard, C.J.; Kennedy, B.J.; Chakoumakos, B.C.","Neutron powder diffraction study of rhombohedral rare-earth aluminates and the rhombohedral to cubic phase transition","Journal of Physics: Condensed Matter","2000","12","","349","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1521178","5.3391","","5.3391","","12.9958","","90","","90","","120","","320.826","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Nd (Al O3)","","- Al Nd O3 -","- Al Nd O3 -","- Al6 Nd6 O18 -","6","0.166667","","Howard, C.J.; Chakoumakos, B.C.; Kennedy, B.J.","Neutron powder diffraction study of rhombohedral rare-earth aluminates and the rhombohedral to cubic phase transition","Journal of Physics: Condensed Matter","2000","12","","349","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1521187","5.5429","","5.5429","","13.4328","","90","","90","","120","","357.414","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","La (Ga O3)","","- Ga La O3 -","- Ga La O3 -","- Ga6 La6 O18 -","6","0.166667","","Howard, C.J.; Kennedy, B.J.","The orthorhombic and rhombohedral phases of La Ga O3 - a neutron powder diffraction study","Journal of Physics: Condensed Matter","1999","11","","3229","3236","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1521190","5.3598","","5.3598","","13.0859","","90","","90","","120","","325.56","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","La (Al O3)","","- Al La O3 -","- Al La O3 -","- Al6 La6 O18 -","6","0.166667","","Howard, C.J.; Kennedy, B.J.; Chakoumakos, B.C.","Neutron powder diffraction study of rhombohedral rare-earth aluminates and the rhombohedral to cubic phase transition","Journal of Physics: Condensed Matter","2000","12","","349","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1521436","9.3864","","9.3864","","26.55","","90","","90","","120","","2025.79","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Zr Cr2 D3.765","","- Cr2 D3.765 Zr -","- Cr2 D3.765 Zr -","- Cr72 D135.54 Zr36 -","36","1","","Kohlmann, H.; Yvon, K.","Revision of the low-temperature structures of rhombohedral Zr Cr2 Dx (x = 3.8), and monoclinic Zr V2 Dx (1.1 < x < 2.3) and Hf V2 Dx (x = 1.9)","Journal of Alloys Compd.","2000","309","","123","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1521490","9.6194","","9.6194","","11.1061","","90","","90","","120","","889.996","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Sr3 Zn (Rh O6)","","- O6 Rh Sr3 Zn -","- O6 Rh Sr3 Zn -","- O36 Rh6 Sr18 Zn6 -","6","0.166667","","Layland, R.C.; zur Loye, H.C.","Synthesis, characterization, and magnetic properties of a commensurate and incommensurate phase of Sr3 Zn Rh O6: zinc in trigonal prismatic coordination","Journal of Alloys Compd.","2000","299","","118","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1521501","29.12399","","29.12399","","17.26019","","90","","90","","120","","12678.8","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Si38 O76","","- O76 Si38 -","- O76 Si38 -","- O456 Si228 -","6","0.166667","","Li, Y.-P.; Krivovichev, S.V.; Burns, P.C.","The crystal structure of thornasite, Na12 Th3 (Si8 O19)4 (H2 O)18: a novel interrupted silicate framework","American Mineralogist","2000","85","","1521","1525","","","","","","","","","","","","","","","","","","","","","","has coordinates","141713","2020-10-21","18:00:00","" "1521536","4.893","","4.893","","47.78","","90","","90","","120","","990.666","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Sr Al2 (B2 O7)","","- Al2 B2 O7 Sr -","- Al2 B2 O7 Sr -","- Al12 B12 O42 Sr6 -","6","0.166667","","Lucas, F.; Jaulmes, S.; Quarton, M.; le Mercier, T.; Fouassier, C.; Guillen, F.","Crystal structure of Sr Al2 B2 O7 and Eu(2+) luminescence","Journal of Solid State Chemistry","2000","150","","404","409","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1521708","4.97342","","4.97342","","13.6895","","90","","90","","120","","293.244","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(Cr0.7 V0.3)2 O3","","- Cr1.4 O3 V0.6 -","- Cr1.4 O3 V0.6 -","- Cr8.4 O18 V3.6 -","6","0.166667","","Oyama, T.; Ishii, T.; Takeuchi, K.; Iimura, Y.","Synthesis of (Crx V1-x)2 O3 fine particles by a laser-induced vapor-phase reaction and their crystal structure","Journal of Materials Science","1999","34","","439","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","141922","2020-10-21","18:00:00","" "1521709","4.99532","","4.99532","","13.8748","","90","","90","","120","","299.836","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(Cr0.15 V0.85)2 O3","","- Cr0.3 O3 V1.7 -","- Cr0.3 O3 V1.7 -","- Cr1.8 O18 V10.2 -","6","0.166667","","Oyama, T.; Takeuchi, K.; Iimura, Y.; Ishii, T.","Synthesis of (Crx V1-x)2 O3 fine particles by a laser-induced vapor-phase reaction and their crystal structure","Journal of Materials Science","1999","34","","439","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","141923","2020-10-21","18:00:00","" "1521713","6.0605","","6.0605","","14.798","","90","","90","","120","","470.707","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Ba ((Ce0.4 Zr0.6) O3)","","- Ba Ce0.4 O3 Zr0.6 -","- Ba Ce0.4 O3 Zr0.6 -","- Ba6 Ce2.4 O18 Zr3.6 -","6","0.166667","","Pagnier, T.; Charrier-Cougoulic, I.; Ritter, C.; Lucazeau, G.","A neutron diffraction study of Ba Cex Zr1-x O3","The European Physical Journal Apllied Physics","2000","9","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1521716","6.18","","6.18","","15.0567","","90","","90","","120","","498.009","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Ba ((Ce0.8 Zr0.2) O3)","","- Ba Ce0.8 O3 Zr0.2 -","- Ba Ce0.8 O3 Zr0.2 -","- Ba6 Ce4.8 O18 Zr1.2 -","6","0.166667","","Pagnier, T.; Charrier-Cougoulic, I.; Ritter, C.; Lucazeau, G.","A neutron diffraction study of Ba Cex Zr1-x O3","The European Physical Journal Apllied Physics","2000","9","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1521791","5.531","","5.531","","13.363","","90","","90","","120","","354.032","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","La (Mn O3)","","- La Mn O3 -","- La Mn O3 -","- La6 Mn6 O18 -","6","0.166667","","Quo, Y.-Q.; Zhang, X.-H.; Waeppling, R.","Crystal structure of La1-x Srx Mn O3-2x+d F2x","Journal of Alloys Compd.","2000","306","","133","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1521793","5.527","","5.527","","13.355","","90","","90","","120","","353.308","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.717 Sr0.167) (Mn (O2.583 F0.333))","","- F0.333 La0.717 Mn O2.583 Sr0.167 -","- F0.333 La0.72 Mn O2.583 Sr0.17 -","- F1.998 La4.32 Mn6 O15.498 Sr1.02 -","6","0.166667","","Quo, Y.-Q.; Zhang, X.-H.; Waeppling, R.","Crystal structure of La1-x Srx Mn O3-2x+d F2x","Journal of Alloys Compd.","2000","306","","133","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1521795","5.511","","5.511","","13.356","","90","","90","","120","","351.292","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.667 Sr0.317) (Mn (O2.333 F0.633))","","- F0.633 La0.667 Mn O2.333 Sr0.317 -","- F0.633 La0.667 Mn O2.334 Sr0.32 -","- F3.798 La4.002 Mn6 O14.004 Sr1.92 -","6","0.166667","","Quo, Y.-Q.; Zhang, X.-H.; Waeppling, R.","Crystal structure of La1-x Srx Mn O3-2x+d F2x","Journal of Alloys Compd.","2000","306","","133","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1521797","5.496","","5.496","","13.359","","90","","90","","120","","349.46","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.633 Sr0.35) (Mn (O1.967 F0.967))","","- F0.967 La0.633 Mn O1.967 Sr0.35 -","- F0.966 La0.633 Mn O1.968 Sr0.35 -","- F5.796 La3.798 Mn6 O11.808 Sr2.1 -","6","0.166667","","Quo, Y.-Q.; Zhang, X.-H.; Waeppling, R.","Crystal structure of La1-x Srx Mn O3-2x+d F2x","Journal of Alloys Compd.","2000","306","","133","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1521819","5.5263","","5.5263","","13.3499","","90","","90","","120","","353.084","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","La0.9 Na0.1 Mn O3","","- La0.9 Mn Na0.1 O3 -","- La0.9 Mn Na0.1 O3 -","- La5.4 Mn6 Na0.6 O18 -","6","0.166667","","Rao, G.-H.; Baerner, K.; Sun, J.R.; Hamad, N.","Crystal structure and magnetoresistance of Na-doped La Mn O3","Journal of Physics: Condensed Matter","1999","11","","1523","1528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1521850","5.468","","5.468","","13.215","","90","","90","","120","","342.18","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","La (Ni0.9 Ti0.1) O3","","- La Ni0.9 O3 Ti0.1 -","- La Ni0.9 O3 Ti0.1 -","- La6 Ni5.4 O18 Ti0.6 -","6","0.166667","","Rodriguez, E.; Alvarez, I.; Lopez, M.L.; Veiga, M.L.; Pico, C.","Structural, electronic and magnetic characterization of the perovskite La Ni1-x Tix O3 (03.0.CO;2-J","","","","","","","","","","","","","","","","","","","","","has coordinates","189757","2020-10-21","18:00:00","" "1537274","8.105","","8.105","","21.1","","90","","90","","120","","1200.38","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Al7 Au3 Ce -","- Al7 Au3 Ce -","- Al42 Au18 Ce6 -","6","0.166667","","Latturner, S.E.; Bilc, D.; Kanatzidis, M.G.; Ireland, J.R.; Kannewurf, C.R.; Mahanti, S.D.","REAu3Al7 (RE = rare earth): new ternary aluminides grown from aluminium flux","Journal of Solid State Chemistry","2003","170","","48","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1537339","8.5758","","8.5758","","24.9061","","90","","90","","120","","1586.3","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Cs Zr2 (P O4)3","","- Cs O12 P3 Zr2 -","- Cs O12 P3 Zr2 -","- Cs6 O72 P18 Zr12 -","6","0.166667","","Gobechiya, E.R.; Sukhanov, M.V.; Kabalov, Yu.K.; Pet'kov, V.I.","Crystal structures of double cesium zirconium and barium zirconium orthophosphates","Kristallografiya","2004","49","","829","834","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1537434","5.321","","5.321","","15.027","","90","","90","","120","","368.459","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Hg Sn F6","","- F6 Hg Sn -","- F6 Hg Sn -","- F18 Hg3 Sn3 -","3","0.0833333","","Hoppe, R.; Wilhelm, V.; Mueller, B.","Zur Kenntnis der Verbindungen M Sn F6 mit M = Mn, Fe, Zn, Hg, Pb bzw. Co, Ni, Cu, Cd","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","392","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1537534","9.474","","9.474","","24.371","","90","","90","","120","","1894.4","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","K0.52 (Mn0.47 Zr0.45)2 (Mo O4)3","","- K0.52 Mn0.94 Mo3 O12 Zr0.9 -","- K0.52 Mn0.94 Mo3 O12 Zr0.9 -","- K3.12 Mn5.64 Mo18 O72 Zr5.4 -","6","0.166667","","Klevtsova, R.F.; Vasil'ev, A.D.; Bazarov, B.G.; Glinskaya, L.A.; Klevtsov, P.V.; Bazarova, Zh.G.","Crystal structure investigation of ternary molybdate of potassium, manganese, zirconium with the nasicon type structure","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2003","44","","963","966","","","","","","","","","","","","","","","","","","","","","","has coordinates","165749","2020-10-21","18:00:00","" "1537604","8.0058","","8.0058","","20.92","","90","","90","","120","","1161.19","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Al7 Au3 Er -","- Al7 Au3 Er -","- Al42 Au18 Er6 -","6","0.166667","","Latturner, S.E.; Mahanti, S.D.; Ireland, J.R.; Bilc, D.; Kannewurf, C.R.; Kanatzidis, M.G.","REAu3Al7 (RE = rare earth): new ternary aluminides grown from aluminium flux","Journal of Solid State Chemistry","2003","170","","48","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1537701","4.9561","","4.9561","","13.998","","90","","90","","120","","297.767","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(Cr0.0125 V0.9875)2 O3","","- Cr0.025 O3 V1.975 -","- Cr0.025 O3 V1.975 -","- Cr0.15 O18 V11.85 -","6","0.166667","","Chen, S.; Hahn, J.E.; Rice, C.E.; Robinson, W.R.","The effects of titanium or chromium doping on the crystal structure of V2 O3","Journal of Solid State Chemistry","1982","44","","192","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","166011","2020-10-21","18:00:00","" "1538347","4.9825","","4.9825","","13.433","","90","","90","","120","","288.801","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Ga2 O3 -","- Ga2 O3 -","- Ga12 O18 -","6","0.166667","","Marezio, M.; Remeika, J.P.","Bond lengths in the alpha-Ga2 O3 structure and the high-pressure phase of Ga2-X FeX O3","Journal of Chemical Physics","1967","46","","1862","1865","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1538391","12.73","","12.73","","18.24","","90","","90","","120","","2559.84","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Cs3 (In2 Cl9)","","- Cl9 Cs3 In2 -","- Cl9 Cs3 In2 -","- Cl54 Cs18 In12 -","6","0.166667","","Meyer, G.","A3 In2 Cl9 (A= Cs, Rb, In, Tl) und Cs3 In2 Br9 -x (x= 0, 3, 6, 8, 7)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1978","445","","140","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","166923","2020-10-21","18:00:00","" "1538415","13.18","","13.18","","16.64","","90","","90","","120","","2503.31","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Cs4 Pb Cl6","","- Cl6 Cs4 Pb -","- Cl6 Cs4 Pb -","- Cl36 Cs24 Pb6 -","6","0.166667","","Moller, C.K.","On the structure of cesium hexahalogeno-plumbates(II)","Kongelige Danske Videnskabernes Selskab, Matematisk-Fysike Meddelelser","1960","32","","1","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1538416","13.73","","13.73","","17.32","","90","","90","","120","","2827.61","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Cs4 (Pb Br6)","","- Br6 Cs4 Pb -","- Br6 Cs4 Pb -","- Br36 Cs24 Pb6 -","6","0.166667","","Moller, C.K.","On the structure of cesium hexahalogeno-plumbates(II)","Kongelige Danske Videnskabernes Selskab, Matematisk-Fysike Meddelelser","1960","32","","1","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1538807","9.24","","9.24","","23.39","","90","","90","","120","","1729.44","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Na3.33 Zr1.77 Si1.4 P1.6 O12","","- Na3.33 O12 P1.6 Si1.4 Zr1.77 -","- Na3.339 O12 P1.599 Si1.401 Zr1.77 -","- Na20.034 O72 P9.594 Si8.406 Zr10.62 -","6","0.166667","","Kohler, H.; Schulz, H.","Nasicon solid electrolytes. Part I: The Na±diffusion path and its relation to the structure","Materials Research Bulletin","1985","20","","1461","1471","","","","","","","","","","","","","","","","","","","","","","has coordinates","167495","2020-10-21","18:00:00","" "1539559","3.814","","3.814","","100.04","","90","","90","","120","","1260.28","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ga In3 S6 -","- Ga1.01455 In2.98909 S6 -","- Ga11.16 In32.88 S66 -","11","0.305556","","Amiraslanov, I.R.; Musaev, A.A.; Asadov, F.Yu.; Maksimov, B.A.; Molchanov, V.N.; Furmanova, N.G.","Synthesis of a new semiconductor Ga0.5 In1.5 S3 with given structure","Soviet Physics, Crystallography (= Kristallografiya)","1990","35","","187","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1539639","13.329","","13.329","","16.478","","90","","90","","120","","2535.3","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Rb4 Pb Br6","","- Br6 Pb Rb4 -","- Br6 Pb Rb4 -","- Br36 Pb6 Rb24 -","6","0.166667","","Beck, H.P.; Milius, W.","Refinement of the structure of Rb4 Pb Br6 and a note on the existence of "" Rb4 Hg I6 "" and "" K4 Cd I6""","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","562","","102","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1539810","8.927","","8.927","","22.276","","90","","90","","120","","1537.37","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Na3 Sc2 (P O4)3","","- Na3 O12 P3 Sc2 -","- Na2.999 O12 P3 Sc2 -","- Na17.994 O72 P18 Sc12 -","6","0.166667","","Collin, G.; Colomban, P.; Comes, R.; Boilot, J.P.","Disorder of tetrahedra in Nasicon-type structure - part I. Na3 Sc2 (P O4)3: structures and ion-ion correlations","Journal of Physics and Chemistry of Solids","1986","47","","843","854","","","","","","","","","","","","","","","","","","","","","","has coordinates","168860","2020-10-21","18:00:00","" "1539900","14.012","","14.012","","27.779","","90","","90","","120","","4723.32","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Cs6 Re6 S15 -","- Cs6 Re6 S15 -","- Cs36 Re36 S90 -","6","0.166667","","Bronger, W.; Schuster, T.","Cs6 Re6 S15 - eine Verbindung, in der (Re6 S8) Baueinheiten ueber Disulfidbruecken verknuepft eine Gerueststruktur bilden","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","587","","74","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1539977","5.5206","","5.5206","","13.3416","","90","","90","","120","","352.137","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.92 Na0.058) Mn O3.09","","- La0.92 Mn Na0.058 O3.09 -","- La0.92 Mn Na0.058 O3.09 -","- La5.52 Mn6 Na0.348 O18.54 -","6","0.166667","","Yanchevskii, O.Z.; Tovstolytkin, A.I.; Durilin, D.A.; V'yunov, O.I.; Belous, A.G.","Structure and properties of nonstoichiometric La1-x Nax Mn O3+ - gamma solid solutions","Neorganicheskie Materialy","2004","40","","853","859","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1539978","5.5102","","5.5102","","13.34","","90","","90","","120","","350.769","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.86 Na0.108) Mn O3.09","","- La0.86 Mn Na0.108 O3.09 -","- La0.86 Mn Na0.108 O3.09 -","- La5.16 Mn6 Na0.648 O18.54 -","6","0.166667","","Yanchevskii, O.Z.; Tovstolytkin, A.I.; Durilin, D.A.; V'yunov, O.I.; Belous, A.G.","Structure and properties of nonstoichiometric La1-x Nax Mn O3+ - gamma solid solutions","Neorganicheskie Materialy","2004","40","","853","859","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1540064","8.809","","8.809","","22.929","","90","","90","","120","","1540.88","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Na1.1 Zr2 P2.89 Si.11 O12","","- Na1.1 O12 P2.89 Si0.11 Zr2 -","- Na1.144 O12 P2.889 Si0.111 Zr2 -","- Na6.864 O72 P17.334 Si0.666 Zr12 -","6","0.166667","","Hazen, R.M.; Finger, L.W.; Agrawal, D.K.; Perrotta, J.; McKinstry, H.A.","High-temperature crystal chemistry of sodium zirconium phosphate (NZP)","Journal of Materials Research","1987","2","","329","337","","","","","","","","","","","","","","","","","","","","","","has coordinates","169230","2020-10-21","18:00:00","" "1540115","5.4338","","5.4338","","13.6421","","90","","90","","120","","348.834","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Ti F3","","- F3 Ti -","- F3 Ti -","- F18 Ti6 -","6","0.166667","","Hoppe, R.; Becker, S.","Neues ueber Ti F3 und Fluorotitanate(III): Cs2 K (Ti F6), Rb2 K (Ti F6) und Ti F3 Mit einer Bemerkung ueber Rb3 (Ti F6)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","568","","126","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1540142","4.9834","","4.9834","","13.7555","","90","","90","","120","","295.841","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(Cr0.5 V0.5)2 O3","","- Cr O3 V -","- Cr O3 V -","- Cr6 O18 V6 -","6","0.166667","","Iimura, Y.; Oyama, T.; Kaeasaki, N.; Ishii, T.; Takeuchi, K.","Powder x-ray analysis of a Cr-V oxide synthesized by a CO2 laser-induced chain reaction","Reza Kagaku Kenkyu","1993","15","","125","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1540149","9.202","","9.202","","22.407","","90","","90","","120","","1643.16","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Na4 Hf2 (Ge O4)3","","- Ge3 Hf2 Na4 O12 -","- Ge3 Hf2 Na4 O12 -","- Ge18 Hf12 Na24 O72 -","6","0.166667","","Ilyushin, G.D.","The ionic conductor Na4 Hf2 Ge3 O12 (NASICON): hydrthermal crystallization and crystal structure","Kristallografiya","1989","34","","839","845","","","","","","","","","","","","","","","","","","","","","","has coordinates","169341","2020-10-21","18:00:00","" "1540341","8.367","","8.367","","23.074","","90","","90","","120","","1398.92","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","K Ti2 (P O4)3","","- K O12 P3 Ti2 -","- K O12 P3 Ti2 -","- K6 O72 P18 Ti12 -","6","0.166667","","Lunezheva, E.S.; Maksimov, B.A.; Mel'nikov, O.K.","Crystal structure of KTi2(PO4)3","Kristallografiya","1989","34","","1119","1122","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1540998","12.027","","12.027","","11.701","","90","","90","","120","","1465.78","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","((H2 O)6 Cr) Cl3","","- Cl3 Cr H12 O6 -","- Cl3 Cr H12 O6 -","- Cl18 Cr6 H72 O36 -","6","0.166667","","Spundflasche, E.; Seifert, H.J.; Fink, H.","Erste Abbauprodukte von Hexahydraten M Cl3 (H2 O)6 (M= V, Ti, Cr, Al) mit einer Verfeinerung der Struktur von (Cr (H2 O)6) Cl3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","579","","143","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1541718","9.027","","9.027","","31.574","","90","","90","","120","","2228.16","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Eu2 Re6 S11 -","- Eu2 Re6 S11 -","- Eu12 Re36 S66 -","6","0.166667","","Bronger, W.; Miessen, H.J.; Schmitz, D.","Eu2 Re6 S11, Darstellung, Kristallstruktur und magnetische Eigenschaften","Journal of the Less-Common Metals","1983","95","","275","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1541719","9.157","","9.157","","32.081","","90","","90","","120","","2329.62","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ba2 Re6 S11 -","- Ba2 Re6 S11 -","- Ba12 Re36 S66 -","6","0.166667","","Bronger, W.; Miessen, H.J.; Schmitz, D.","Eu2 Re6 S11, Darstellung, Kristallstruktur und magnetische Eigenschaften","Journal of the Less-Common Metals","1983","95","","275","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1545916","7.003","0.001","7.003","0.001","35.466","0.006","90","","90","","120","","1506.3","0.4","","","293","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ba2 F11 Mn3 Na -","- Ba2 F11 Mn3 Na -","- Ba12 F66 Mn18 Na6 -","6","0.166667","","Darriet, J.; Ducau, M.; Feist, M.; Tressaud, A.; Hagenmuller, P.","Crystal structure and magnetic properties of NaBa2Mn3F11 : a new layer-type fluoride compound","Journal of Solid State Chemistry","1992","98","","379","385","10.1016/S0022-4596(05)80248-8","","x-ray","0.71069","MoKα","","","0.0317","","","0.0297","","","","","","","2.193","","","","has coordinates","195910","2020-10-21","18:00:00","" "1546383","5.03","","5.03","","13.75","","90","","90","","120","","301.279","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Fe2 O3 -","- Fe2 O3 -","- Fe12 O18 -","6","0.166667","","El Mendili, Yassine; Bardeau, Jean-François; Randrianantoandro, Nirina; Grasset, Fabien; Greneche, Jean-Marc","Insights into the Mechanism Related to the Phase Transition from α-Fe2O3 to γ-Fe2O3 Nanoparticles Induced by Thermal Treatment and Laser Irradiation","The Journal of Physical Chemistry C","2012","116","44","23785","23792","10.1021/jp308418x","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1547347","4.9877","","4.9877","","17.053","0.0003","90","","90","","120","","367.394","0.006","294","","294","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0134","0.0133","","","0.0201","0.0201","","","","1.69","1.69","1.68","","","","has coordinates","288072","2023-12-06","13:08:11","" "1547348","4.988","","4.988","","17.0607","0.0003","90","","90","","120","","367.604","0.006","294","","294","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0181","0.0177","","","0.024","0.0241","","","","1.85","1.85","1.83","","","","has coordinates","288072","2023-12-06","13:08:12","" "1547349","4.986","","4.986","","17.0592","0.0003","90","","90","","120","","367.277","0.006","294","","294","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.018","0.0173","","","0.023","0.0231","","","","1.81","1.81","1.77","","","","has coordinates","288072","2023-12-06","13:08:12","" "1547350","4.9876","","4.9876","","17.0575","0.0005","90","","90","","120","","367.476","0.011","295","","295","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0207","0.0207","","","0.0264","0.0264","","","","2.18","2.18","2.17","","","","has coordinates","288072","2023-12-06","13:08:12","" "1547351","4.9804","0.0001","4.9804","0.0001","17.1932","0.0005","90","","90","","120","","369.331","0.015","580","","580","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71069","MoKα","","0.0277","0.0277","","","0.0308","0.0308","","","","2.39","2.39","2.39","","","","has coordinates","288072","2023-12-06","13:08:12","" "1547352","4.978","0.0001","4.978","0.0001","17.2509","0.0005","90","","90","","120","","370.213","0.015","683","","683","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71069","MoKα","","0.0171","0.0171","","","0.0273","0.0273","","","","2.16","2.16","2.16","","","","has coordinates","288072","2023-12-06","13:08:12","" "1547353","4.9763","0.0001","4.9763","0.0001","17.3134","0.0005","90","","90","","120","","371.301","0.015","787","","787","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71069","MoKα","","0.0271","0.0269","","","0.0342","0.0344","","","","2.68","2.68","2.67","","","","has coordinates","288072","2023-12-06","13:08:12","" "1547354","4.9768","","4.9768","","17.3026","0.0004","90","","90","","120","","371.144","0.009","787","","787","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0141","0.0141","","","0.0197","0.0197","","","","1.61","1.61","1.6","","","","has coordinates","288072","2023-12-06","13:08:12","" "1547355","4.9756","","4.9756","","17.3717","0.0003","90","","90","","120","","372.446","0.006","891","","891","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0174","0.0159","","","0.022","0.0223","","","","1.58","1.58","1.52","","","","has coordinates","288072","2023-12-06","13:08:12","" "1547356","4.9752","","4.9752","","17.445","0.0004","90","","90","","120","","373.958","0.009","974","","974","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0335","0.0283","","","0.032","0.0328","","","","2.13","2.13","1.94","","","","has coordinates","288072","2023-12-06","13:08:12","" "1547370","4.9747","","4.9747","","17.4468","0.0003","90","","90","","120","","373.921","0.006","995","","995","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0207","0.0197","","","0.0239","0.0243","","","","1.89","1.89","1.81","","","","has coordinates","288072","2023-12-06","13:08:12","" "1547371","4.9694","","4.9694","","17.758","0.0003","90","","90","","120","","379.78","0.006","1213","","1213","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0551","0.0388","","","0.0558","0.0683","","","","1.43","1.43","1.27","","","","has coordinates","288072","2023-12-06","13:08:12","" "1547372","4.9679","","4.9679","","17.809","0.0003","90","","90","","120","","380.641","0.006","1234","","1234","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.045","0.0341","","","0.0562","0.0574","","","","4.37","4.37","3.66","","","","has coordinates","288072","2023-12-06","13:08:12","" "1547373","4.9745","","4.9745","","17.4912","0.0003","90","","90","","120","","374.843","0.006","1037","","1037","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0243","0.0217","","","0.025","0.0256","","","","1.72","1.72","1.63","","","","has coordinates","288072","2023-12-06","13:08:12","" "1547374","4.9746","","4.9746","","17.5316","0.0003","90","","90","","120","","375.724","0.006","1058","","1058","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0279","0.0213","","","0.0262","0.0278","","","","1.65","1.65","1.48","","","","has coordinates","288072","2023-12-06","13:08:12","" "1547375","4.9738","","4.9738","","17.5413","0.0003","90","","90","","120","","375.811","0.006","1078","","1078","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0229","0.0201","","","0.025","0.0255","","","","1.73","1.73","1.6","","","","has coordinates","288072","2023-12-06","13:08:12","" "1547376","4.9738","","4.9738","","17.5547","0.0003","90","","90","","120","","376.098","0.006","1099","","1099","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0243","0.0201","","","0.0261","0.0269","","","","1.81","1.81","1.67","","","","has coordinates","288072","2023-12-06","13:08:12","" "1547377","4.9738","","4.9738","","17.5798","0.0003","90","","90","","120","","376.635","0.006","1120","","1120","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0271","0.0225","","","0.0275","0.0287","","","","1.89","1.89","1.76","","","","has coordinates","288072","2023-12-06","13:08:12","" "1547378","4.9725","","4.9725","","17.6257","0.0003","90","","90","","120","","377.421","0.006","1151","","1151","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0221","0.0211","","","0.0295","0.0297","","","","2.3","2.3","2.17","","","","has coordinates","288072","2023-12-06","13:08:12","" "1547379","4.9728","","4.9728","","17.6811","0.0003","90","","90","","120","","378.653","0.006","1182","","1182","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0322","0.0249","","","0.0334","0.0345","","","","2.27","2.27","1.96","","","","has coordinates","288072","2023-12-06","13:08:12","" "1547380","4.9714","","4.9714","","17.6902","0.0003","90","","90","","120","","378.635","0.006","1192","","1192","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0262","0.0235","","","0.0326","0.0333","","","","2.58","2.58","2.39","","","","has coordinates","288072","2023-12-06","13:08:12","" "1547984","67.3343","0.0006","67.3343","0.0006","188.5858","0.0017","90","","90","","120","","740478","11","100","1","100","1","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C1130 H1469 Ag374 Br2 Cl2 S113 -","- C1130 H1469 Ag380 Br2 Cl2 S113 -","- C20340 H26442 Ag6840 Br36 Cl36 S2034 -","18","0.5","","Huayan Yang; Yu Wang; Xi Chen; Xiaojing Zhao; Lin Gu; Huaqi Huang; Juanzhu Yan; Chaofa Xu; Gang Li; Junchao Wu; Alison J. Edwards; Birger Dittrich; Zichao Tang; Dongdong Wang; Lauri Lehtovaara; Hannu Hakkinen; Nanfeng Zheng","Plasmonic twinned silver nanoparticles with molecular precision","Nature Communications","2016","7","","12809","","10.1038/ncomms12809","","","1.54184","CuKα","","0.1307","0.0951","","","0.2846","0.3317","","","","","","1.329","","","","has coordinates,has disorder","203073","2020-10-21","18:00:00","" "1548822","4.773","0.001","4.773","0.001","15.642","0.001","90","","90","","120","","308.61","0.09","295","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Manganese carbonate","Rhodochrosite","- C Mn O3 -","- C Mn O3 -","- C6 Mn6 O18 -","6","0.166667","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","51","","929","939","10.1021/acs.jctc.7b01061","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03","" "1548823","4.6117","0.0005","4.6117","0.0005","14.735","0.002","90","","90","","120","","271.4","0.06","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","Nickel carbonate","Gaspeite","- C Ni O3 -","- C Ni O3 -","- C6 Ni6 O18 -","6","0.166667","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","42","","4","5","10.1021/acs.jctc.7b01061","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03","" "1548824","4.694","0.001","4.694","0.001","15.43","0.01","90","","90","","120","","294.4","0.2","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Iron carbonate","Siderite","- C Fe O3 -","- C Fe O3 -","- C6 Fe6 O18 -","6","0.166667","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","","","","","","","","","","","","","","","","has coordinates","205804","2020-10-21","18:00:00","" "1548825","4.6618","0.0005","4.6618","0.0005","14.963","0.002","90","","90","","120","","281.62","0.06","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Cobalt carbonate","Sphaerocobaltite","- C Co O3 -","- C Co O3 -","- C6 Co6 O18 -","6","0.166667","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","205805","2020-10-21","18:00:00","" "1549877","16.521","0.0005","16.521","0.0005","49.1998","0.0017","90","","90","","120","","11629.6","0.6","93","2","93","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C44 H37 Cl4 N6 O1.5 -","- C44.0001 H37.0002 Cl4 N6 O1.5 -","- C528.001 H444.002 Cl48 N72 O18 -","12","0.333333","","Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko","Rational synthesis of benzimidazole[3]arenes by CuII-catalyzed post-macrocyclization transformation.","Chemical science","2018","9","39","7614","7619","10.1039/c8sc03086c","","","0.71075","MoKα","","0.0544","0.0486","","","0.1341","0.1371","","","","","","1.057","","","","has coordinates,has disorder","228703","2020-10-21","18:00:00","" "1551206","18.497","0.006","18.497","0.006","16.973","0.004","90","","90","","120","","5029","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C18 H56 N4 Si6 Th -","- C18 H9 N4.0002 Si6 Th -","- C108 H54 N24.0012 Si36 Th6 -","6","0.166667","","Staun, Selena L.; Sergentu, Dumitru-Claudiu; Wu, Guang; Autschbach, Jochen; Hayton, Trevor W.","Use of 15 N NMR spectroscopy to probe covalency in a thorium nitride","Chemical Science","2019","10","26","6431","6436","10.1039/C9SC01960J","","","0.71073","MoKα","","0.101","0.0714","","","0.1843","0.1935","","","","","","1.406","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52","" "1551940","5.49944","","5.49944","","13.2172","","90","","90","","120","","346.184","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Cu La O3 -","- Cu La O3 -","- Cu6 La6 O18 -","6","0.166667","","Zhou, J.-S.; Marshall, L. G.; Goodenough, J. B.","Mass enhancement versus Stoner enhancement in strongly correlated metallic perovskites: LaNiO3 and LaCuO3","Physical Review B","2014","89","24","245138","","10.1103/PhysRevB.89.245138","","","","","","","","","","","","","","","","","","","","","has coordinates","216772","2020-10-21","18:00:00","" "1552823","23.2","0.003","23.2","0.003","36.173","0.005","90","","90","","120","","16861","4","150","2","150","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C93 H126 O9 Y2 -","- C93 H126 O9 Y2 -","- C558 H756 O54 Y12 -","6","0.166667","","Chen, Changjuan; Bai, Zhiyong; Cui, Yaqin; Cong, Yong; Pan, Xiaobo; Wu, Jincai","ppm-Level Thermally Switchable Yttrium Phenoxide Catalysts for Moisture-Insensitive and Controllably Immortal Polymerization of rac-Lactide","Macromolecules","2018","51","17","6800","","10.1021/acs.macromol.8b01229","","","1.54178","CuKα","","0.0664","0.0632","","","0.1575","0.1603","","","","","","1.058","","","","has coordinates,has disorder","227460","2020-10-21","18:00:00","" "1554079","15.2929","0.0017","15.2929","0.0017","22.699","0.003","90","","90","","120","","4597.5","0.9","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- B8 Ba10 F K5 O24 -","- B8 Ba10.02 F K4.98 O24 -","- B48 Ba60.12 F6 K29.88 O144 -","6","0.166667","","Liu, Lili; Yang, Yun; Jing, Qun; Dong, Xiaoyu; Yang, Zhihua; Pan, Shilie; Wu, Kui","K5Ba10(BO3)8F: A New Potassium Barium Borate Fluoride with a Perovskite-Like Structure","The Journal of Physical Chemistry C","2016","120","33","18763","","10.1021/acs.jpcc.6b05489","","","0.71073","MoKα","","0.0381","0.0339","","","0.0936","0.0965","","","","","","1.099","","","","has coordinates","236544","2020-10-21","18:00:00","" "1558583","8.3371","0.0008","8.3371","0.0008","22.909","0.005","90","","90","","120","","1379","0.4","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H3 Mn N0.99 O6 -","- C30 H18 Mn6 N5.94 O36 -","6","0.166667","","Liu, Chao; Zhai, Kun; Yu, Zhipeng; Nie, Anmin; Liu, Zhongyuan; Sun, Young","Hydrogen Bond Tuning of Magnetoelectric Coupling in Metal‒Organic Frameworks","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c03916","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","254254","2020-10-21","18:00:00","" "1559495","11.34","0.002","11.34","0.002","28.056","0.005","90","","90","","120","","3124.5","1","","","153","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Calcium Sulfate Sulfite Dodecahydrate Ca3(SO4)(SO3)2.12H2O","","","- Ca3 H24 O22 S3 -","- Ca3 H24 O22 S3 -","- Ca18 H144 O132 S18 -","6","0.166667","","Mangio, Regina; Langer, Vratislav; Johansson, Lars-Gunnar","Structure and Properties of Calcium Sulfate Sulfite Dodecahydrate","Acta Chemica Scandinavica","1991","45","","572","577","10.3891/acta.chem.scand.45-0572","","x-ray","0.71069","MoKα","","","0.023","","","0.026","","","","","","","","","","","has coordinates","259063","2020-11-10","10:39:34","" "1559955","45.692","0.002","45.692","0.002","77.435","0.004","90","","90","","120","","140007","11","193","2","193","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C224 H252 Au44 S28 -","- C224 H252 Au44 S28 -","- C4032 H4536 Au792 S504 -","18","0.5","","Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan","Cd-driven surface reconstruction and photodynamics in gold nanoclusters","Chemical Science","2021","12","9","3290","3294","10.1039/D0SC05163B","","","0.71073","MoKα","","0.0923","0.0488","","","0.1309","0.1596","","","","","","1.016","","","","has coordinates","263693","2021-04-05","14:21:37","" "1560577","5.7407","0.0003","5.7407","0.0003","43.503","0.003","90","","90","","120","","1241.59","0.13","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Cl F6 Na3 Sn2 -","- Cl F6 Na3 Sn2 -","- Cl6 F36 Na18 Sn12 -","6","0.166667","","Gong, Pifu; Luo, Siyang; Huang, Qian; Yang, Yi; Jiang, Xingxing; Liang, Fei; Chen, Chuangtian; Lin, Zheshuai","An alkaline tin(II) halide compound Na 3 Sn 2 F 6 Cl: Synthesis, structure, and characterization","Journal of Solid State Chemistry","2017","248","","104","108","10.1016/j.jssc.2017.01.023","","","0.71073","MoKα","","0.0468","0.0454","","","0.1137","0.1153","","","","","","1.268","","","","has coordinates","262157","2021-02-23","09:59:27","" "1561296","42.436","0.005","42.436","0.005","27.473","0.004","90","","90","","120","","42846","9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C50 H42 N4 O14 Zn3 -","- C50 H42 N4 O14 Zn3 -","- C900 H756 N72 O252 Zn54 -","18","0.5","","Hu, Xiao-Li; Wang, Xin-Long; Su, Zhong-Min","A metal-organic framework based on nanosized hexagonal channels as fluorescent indicator for detection of nitroaromatic explosives","Journal of Solid State Chemistry","2018","258","","781","785","10.1016/j.jssc.2017.12.010","","","0.71069","MoKα","","0.2298","0.1533","","","0.3997","0.4527","","","","","","1.499","","","","has coordinates","263364","2021-03-26","10:08:39","" "1561435","11.937","0.0004","11.937","0.0004","6.8073","0.0004","90","","90","","120","","840.03","0.06","293","2","295.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B3 Eu3 N6 -","- B3 Eu3 N6 -","- B18 Eu18 N36 -","6","0.166667","","Aydemir, Umut; Kokal, Ilkin; Prots, Yurii; Förster, Tobias; Sichelschmidt, Jörg; Schappacher, Falko M.; Pöttgen, Rainer; Ormeci, Alim; Somer, Mehmet","A novel europium (III) nitridoborate Eu3[B3N6]: Synthesis, crystal structure, magnetic properties, and Raman spectra","Journal of Solid State Chemistry","2016","239","","75","83","10.1016/j.jssc.2016.04.016","","","0.56087","AgKα","","0.04","0.038","","","0.1","0.102","","","","","","1.153","","","","has coordinates","263530","2021-04-01","09:39:35","" "1561649","8.1902","0.0016","8.1902","0.0016","22.076","0.004","90","","90","","120","","1282.4","0.4","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Co N O6 -","- C5 H11 Co N0.99999 O6 -","- C30 H65.9999 Co6 N5.99994 O36 -","6","0.166667","","Thakur, Neha; Pandey, Mrituanjay D.; Pandey, Rampal","Co(II)-catalyzed decarboxylation of itaconic acid engendering methacrylic acid and Co(II)-MOFs for structure regulated fluorescent detection of cations","Journal of Solid State Chemistry","2019","280","","120987","","10.1016/j.jssc.2019.120987","","","0.71073","","","0.028846","0.027174","","","","0.07093","","","","","","1.17534","","","","has coordinates","264048","2021-04-12","08:01:02","" "1561808","5.62872","0.00005","5.62872","","13.68283","0.00017","90","","90","","120","","375.427","0.006","1270","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Fe La O3 -","- Fe La O3 -","- Fe6 La6 O18 -","6","0.166667","","Dixon, Charlotte A.L.; Kavanagh, Christopher M.; Knight, Kevin S.; Kockelmann, Winfried; Morrison, Finlay D.; Lightfoot, Philip","Thermal evolution of the crystal structure of the orthorhombic perovskite LaFeO3","Journal of Solid State Chemistry","2015","230","","337","342","10.1016/j.jssc.2015.07.019","powder diffraction","","","","","","","","","","","","","1.36","","","","","","","has coordinates","264193","2021-04-15","08:13:58","" "1562207","13.4452","0.0002","13.4452","0.0002","63.725","0.002","90","","90","","120","","9976.4","0.4","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H50 Ag14 I16 N8 -","- C24 H50 Ag14 I16 N8 -","- C144 H300 Ag84 I96 N48 -","6","0.166667","","Zhang, Ren-Chun; Zhang, You-Juan; Yuan, Bai-Qing; Miao, Jun-Peng; Pei, Bao-Hua; Liu, Pan-Pan; Wang, Jun-Jie; Zhang, Dao-Jun","Transformation of dense AgI into a silver-rich framework iodide using thiophenol as mineralizer","Journal of Solid State Chemistry","2014","220","","185","190","10.1016/j.jssc.2014.08.036","","","0.71073","MoKα","","0.0592","0.0541","","","0.1738","0.1801","","","","","","1.086","","","","has coordinates","264635","2021-04-28","09:19:45","" "1562447","9.4376","0.0018","9.4376","0.0018","36.943","0.007","90","","90","","120","","2849.6","0.9","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Fe2 H6 O24 P6 -","- Ba3 Fe2 H6 O24 P6 -","- Ba18 Fe12 H36 O144 P36 -","6","0.166667","","Sun, Li-Zhi; Sun, Wei; Ren, Wei-Jian; Zhang, Jia-Ying; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao","Synthesis and characterization of novel barium iron phosphates: Insight into new structure types tailored by hydrogen atoms","Journal of Solid State Chemistry","2014","212","","48","57","10.1016/j.jssc.2014.01.010","","","0.71073","MoKα","","0.0205","0.02","","","0.0595","0.0599","","","","","","1","","","","has coordinates","265064","2021-05-10","07:20:30","" "1562582","9.55191","0.00003","9.55191","0.00003","10.8879","0.00004","90","","90","","120","","860.31","0.005","295","","295","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Co O6 Sr3 Zn -","- Co O6 Sr3 Zn -","- Co6 O36 Sr18 Zn6 -","6","0.166667","","Wang, Xia; Guo, Yanfeng; Sun, Ying; Tsujimoto, Yoshihiro; Matsushita, Yoshitaka; Yamaura, Kazunari","Crystal structure and magnetic properties and Zn substitution effects on the spin-chain compound Sr3Co2O6","Journal of Solid State Chemistry","2013","204","","40","46","10.1016/j.jssc.2013.05.014","powder diffraction","","0.65298","synchrotron","","","","","","","","0.06211","0.06615","9.0637","","","","","","","has coordinates","265266","2021-05-17","07:46:07","" "1562718","12.1193","0.0011","12.1193","0.0011","14.8934","0.0017","90","","90","","120","","1894.4","0.3","100","2","100","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ba3.69 S6 U -","- Ba3.694 S6 U -","- Ba22.164 S36 U6 -","6","0.166667","","Mesbah, Adel; Ibers, James A.","Syntheses and crystal structures of three barium uranium sulfides","Journal of Solid State Chemistry","2013","199","","253","257","10.1016/j.jssc.2012.12.023","","","0.71073","MoKα","","0.0189","0.0157","","","0.0314","0.032","","","","","","1.242","","","","has coordinates","265370","2021-05-20","09:09:56","" "1563179","4.422","0.001","4.422","0.001","37.524","0.003","90","","90","","120","","635.4","0.2","298","","298","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- B Be2 F2 K O3 -","- B Be2 F2 K O3 -","- B6 Be12 F12 K6 O18 -","6","0.166667","","Yu, Jinqiu; Liu, Lijuan; Jin, Shifeng; Zhou, Haitao; He, Xiaoling; Zhang, Changlong; Zhou, Weining; Wang, Xiaoyang; Chen, Xiaolong; Chen, Chuangtian","Superstructure and stacking faults in hydrothermal-grown KBe2BO3F2 crystals","Journal of Solid State Chemistry","2011","184","10","2790","2793","10.1016/j.jssc.2011.08.025","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","10.3049","","","","","","","","has coordinates","266210","2021-06-07","07:46:24","" "1563589","11.2302","0.0029","11.2302","0.0029","16.5875","0.004","90","","90","","120","","1811.7","0.8","293","","293","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Trihydrated calcium dodecahydro-closo-dodecaborate","","- B12 Ca H18 O3 -","- B12 Ca H18 O3 -","- B72 Ca6 H108 O18 -","6","0.166667","","Stavila, Vitalie; Her, Jae-Hyuk; Zhou, Wei; Hwang, Son-Jong; Kim, Chul; Ottley, Leigh Anna M.; Udovic, Terrence J.","Probing the structure, stability and hydrogen storage properties of calcium dodecahydro-closo-dodecaborate","Journal of Solid State Chemistry","2010","183","5","1133","1140","10.1016/j.jssc.2010.03.026","powder diffraction","","1.54059","CuKα","","","","","","","","","0.011","1.057","","","","","","","has coordinates","266566","2021-06-18","09:50:06","" "1563670","59.5294","0.0011","59.5294","0.0011","6.96369","0.00019","90","","90","","120","","21371.4","0.8","90","","90","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","TolHAT","4,4',4'',4''',4'''',4'''''-((dipyrazino[2,3-f:2',3'-h]quinoxaline-2,3,6,7,10,11-hexaylhexakis(benzene-4,1-diyl))hexakis(ethyne-2,1-diyl))hexabenzoic acid","","- C102 H60 N6 O12 -","- C102 H60 N6 O12 -","- C612 H360 N36 O72 -","6","0.166667","","Suzuki, Yuto; GUTIÉRREZ, MARIO; Tanaka, Senri; Gomez Garcia, Eduardo; Tohnai, Norimitsu; Yasuda, Nobuhiro; Matubayasi, Nobuyuki; Douhal, Abderrazzak; Hisaki, Ichiro","Construction of Isostructural Hydrogen-bonded Organic Frameworks: Limitations and Possibilities of Pore Expansion","Chemical Science","2021","","","","","10.1039/D1SC02690A","","","0.81106","synchrotron","","0.1994","0.1267","","","0.3874","0.42","","","","","","1.265","","","","has coordinates","266647","2021-06-24","00:55:46","" "1563672","65.827","0.005","65.827","0.005","6.9879","0.0007","90","","90","","120","","26223","4","95","","95","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","ThiaHAT","4,4',4'',4''',4'''',4'''''-((dipyrazino[2,3-f:2',3'-h]quinoxaline-2,3,6,7,10,11-hexaylhexakis(benzene-4,1-diyl))hexakis(benzo[c][1,2,5]thiadiazole-7,4-diyl))hexabenzoic acid","","- C126 H66 N18 O12 S6 -","- C126 H66 N18 O12 S6 -","- C756 H396 N108 O72 S36 -","6","0.166667","","Suzuki, Yuto; GUTIÉRREZ, MARIO; Tanaka, Senri; Gomez Garcia, Eduardo; Tohnai, Norimitsu; Yasuda, Nobuhiro; Matubayasi, Nobuyuki; Douhal, Abderrazzak; Hisaki, Ichiro","Construction of Isostructural Hydrogen-bonded Organic Frameworks: Limitations and Possibilities of Pore Expansion","Chemical Science","2021","","","","","10.1039/D1SC02690A","","","0.81128","synchrotron","","0.2018","0.1673","","","0.4068","0.4353","","","","","","1.363","","","","has coordinates,has disorder","266647","2021-06-24","00:55:47","" "1564236","33.804","0.005","33.804","0.005","81.734","0.016","90","","90","","120","","80885","2","103","2","103","2","","","","","","","","10","R -3 c :H","-R 3 2""c","167","","","","- C118 H163 Ag3 Au6 Cu3 F9 N6 O33.5 P6 S6 -","- C112 H132 Ag3 Au6 Cu3 N6 O15 P6 S6 -","- C2016 H2376 Ag54 Au108 Cu54 N108 O270 P108 S108 -","18","0.5","","Takeda, Hiroto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","A mesoporous ionic solid with 272 AuI6AgI3CuII3 complex cations in a super huge crystal lattice","Chemical Science","2021","","","","","10.1039/D1SC02497C","","","0.62997","synchrotron","","0.097","0.0566","","","0.1809","0.195","","","","","","1.036","","","","has coordinates","267708","2021-07-23","01:54:08","" "1566024","25.3661","0.0009","25.3661","0.0009","17.425","0.0011","90","","90","","120","","9709.8","0.8","293","","293","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C14 H12 Cl2 N2 O4 Pd Se2 -","- C14 H12 Cl2 N2 O4 Pd Se2 -","- C252 H216 Cl36 N36 O72 Pd18 Se36 -","18","0.5","","Karmakar, Gourab; Tyagi, Adish; Kedarnath, G.; Naveen Kumar, N.; Phadnis, Prasad P.; Mishra, Ratikanta; Kumar, Mukesh","Preparation and characterization of colloidal Pd17Se15 nanoparticles from a novel Pd(II) pyridyl selenoether molecular precursor","Inorganica Chimica Acta","2022","529","","120668","","10.1016/j.ica.2021.120668","","x-ray","1.54184","CuKα","","0.1154","0.0867","","","0.2256","0.2493","","","","","","1.111","","","","has coordinates","272103","2022-01-18","10:40:21","" "1566191","15.948","0.008","15.948","0.008","27.81","0.02","90","","90","","120","","6126","6","298","2","298","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","raspberry beryl","pezzottaite","","- Al18 Be18 Cs6.45 Li9 Na1.2 O162 Si54 -","- Al18 Be18 Cs6.453 Li9 Na1.203 O162 Si54 -","- Al36 Be36 Cs12.906 Li18 Na2.406 O324 Si108 -","2","0.0555556","","Ende, Martin; Gatta, G. Diego; Lotti, Paolo; Grandtner, Alexander; Miletich, Ronald","Cs(Be2Li)Al2Si6O18, a cesium-stuffed host-guest structure, and its structure-property variations with temperature and pressure","Journal of Solid State Chemistry","2021","293","","121841","","10.1016/j.jssc.2020.121841","","","0.71073","MoKα","","0.0313","0.028","","","0.0815","0.0837","","","","","","1.115","","","","has coordinates,has disorder","272352","2022-01-31","09:21:12","" "1566192","15.943","0.009","15.943","0.009","27.81","0.03","90","","90","","120","","6122","8","173","1","173","1","","","","","","","","7","R -3 c :H","-R 3 2""c","167","raspberry beryl","pezzottaite","pezzottaite","- Al18 Be18 Cs6.57 Li9 Na1.22 O162 Si54 -","- Al18 Be18 Cs6.5718 Li9 Na1.221 O162 Si54 -","- Al36 Be36 Cs13.1436 Li18 Na2.442 O324 Si108 -","2","0.0555556","","Ende, Martin; Gatta, G. Diego; Lotti, Paolo; Grandtner, Alexander; Miletich, Ronald","Cs(Be2Li)Al2Si6O18, a cesium-stuffed host-guest structure, and its structure-property variations with temperature and pressure","Journal of Solid State Chemistry","2021","293","","121841","","10.1016/j.jssc.2020.121841","","","0.71073","MoKα","","0.0429","0.0273","","","0.0613","0.0668","","","","","","1.046","","","","has coordinates,has disorder","272352","2022-01-31","09:21:12","" "1566193","15.954","0.008","15.954","0.008","27.83","0.02","90","","90","","120","","6135","6","473","1","473","1","","","","","","","","7","R -3 c :H","-R 3 2""c","167","raspberry beryl","pezzottaite","pezzottaite","- Al18 Be18 Cs6.56 Li9 Na1.12 O162 Si54 -","- Al18 Be18 Cs6.5646 Li9 Na1.119 O162 Si54 -","- Al36 Be36 Cs13.1292 Li18 Na2.238 O324 Si108 -","2","0.0555556","","Ende, Martin; Gatta, G. Diego; Lotti, Paolo; Grandtner, Alexander; Miletich, Ronald","Cs(Be2Li)Al2Si6O18, a cesium-stuffed host-guest structure, and its structure-property variations with temperature and pressure","Journal of Solid State Chemistry","2021","293","","121841","","10.1016/j.jssc.2020.121841","","","0.71073","MoKα","","0.0307","0.0254","","","0.0774","0.0804","","","","","","1.066","","","","has coordinates,has disorder","272352","2022-01-31","09:21:12","" "1566194","15.95","0.008","15.95","0.008","27.82","0.02","90","","90","","120","","6129","6","373","1","373","1","","","","","","","","7","R -3 c :H","-R 3 2""c","167","raspberry beryl","pezzottaite","pezzottaite","- Al18 Be18 Cs6.6 Li9 Na1.15 O162 Si54 -","- Al18 Be18 Cs6.5952 Li9 Na1.149 O162 Si54 -","- Al36 Be36 Cs13.1904 Li18 Na2.298 O324 Si108 -","2","0.0555556","","Ende, Martin; Gatta, G. Diego; Lotti, Paolo; Grandtner, Alexander; Miletich, Ronald","Cs(Be2Li)Al2Si6O18, a cesium-stuffed host-guest structure, and its structure-property variations with temperature and pressure","Journal of Solid State Chemistry","2021","293","","121841","","10.1016/j.jssc.2020.121841","","","0.71073","MoKα","","0.0467","0.0299","","","0.0708","0.0775","","","","","","1.054","","","","has coordinates,has disorder","272352","2022-01-31","09:21:12","" "1566195","6.6525","0.0005","6.6525","0.0005","37.998","0.005","90","","90","","120","","1456.3","0.2","296","2","296","2","","","","","","","Mount Egerton meteorite","4","R -3 c :H","-R 3 2""c","167","","","Perryite","- Fe1.88 Ni14.14 P Si5 -","- Fe1.866 Ni14.134 P Si5 -","- Fe11.196 Ni84.804 P6 Si30 -","6","0.166667","","Sergey N. Britvin; Sergey V. Krivovichev; Oleg S. Vereshchagin; Natalia S. Vlasenko; Vladimir V. Shilovskikh; Maria G. Krzhizhanovskaya; Maksim S. Lozhkin; Edita V. Obolonskaya; Yulia O. Kopylova","Perryite, (Ni,Fe)16PSi5, from the Mount Egerton aubrite: the first natural P-Si-ordered phosphide-silicide","Journal of GeoSciences","2021","66","","189","198","10.3190/jgeosci.331","","x-ray","0.71073","MoKα","","0.0137","0.0128","","","0.0296","0.0303","","","","","","1.058","","","","has coordinates","272353","2022-01-31","16:11:38","" "1566241","24.8265","0.0005","24.8265","0.0005","120.4773","0.0015","90","","90","","120","","64308","2","99.97","0.11","99.97","0.11","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C252 H222 Bi38 N6 O158 Ti14 -","- C234 H180 Bi38 O152 Ti14 -","- C1404 H1080 Bi228 O912 Ti84 -","6","0.166667","","Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian","Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2","Chemical Science","2022","","","","","10.1039/D1SC06847D","","x-ray","1.3405","GaKα","","0.0966","0.0831","","","0.2302","0.2439","","","","","","1.069","","","","has coordinates","272400","2022-02-01","23:11:20","" "1566338","26.0265","0.0008","26.0265","0.0008","26.0801","0.0008","90","","90","","120","","15299.3","0.8","93","2","93","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C32 H52 B Cl N2 Ni P2 -","- C32 H52 B Cl N2 Ni P2 -","- C576 H936 B18 Cl18 N36 Ni18 P36 -","18","0.5","","Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds","Chemical Science","2022","13","8","2391","2404","10.1039/D1SC06346D","","","1.54184","CuKα","","0.0893","0.0658","","","0.1396","0.1546","","","","","","1.14","","","","has coordinates","273350","2022-03-04","22:06:58","" "1566640","8.67849","0.00014","8.67849","0.00014","17.0181","0.0004","90","","90","","120","","1110.02","0.04","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","ice IV","","","- D2 O -","- D2 O -","- D96 O48 -","48","1.33333","","Lobban, C.","Neutron diffraction studies of ices","Ph.D. Thesis, The University of London","1998","","","209","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273834","2022-03-20","05:10:31","" "1567325","22.2032","0.0003","22.2032","0.0003","30.987","0.0006","90","","90","","120","","13229.4","0.4","180","0.1","180","0.1","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C86 H110 Cl3 Mn3 N6 O18 -","- C86 H110 Cl3 Mn3 N6 O18 -","- C516 H660 Cl18 Mn18 N36 O108 -","6","0.166667","","Zhang, Hang; Wu, Jia-Hui; Xue, Hao-Zong; Zhang, Ruijing; Yang, Zi-Shu; Gao, Song; Zhang, Jun-Long","Biomimetically constructing a hypoxia-activated programmable phototheranostics at the molecular level","Chemical Science","2022","","","","","10.1039/D2SC02554J","","x-ray","0.71073","MoKα","","0.0486","0.0412","","","0.122","0.1309","","","","","","1.01","","","","has coordinates,has disorder","276807","2022-07-22","22:57:57","" "1567506","4.251","0.0002","4.251","0.0002","11.772","0.012","90","","90","","120","","184.23","0.19","293","","293","","103300000","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B Fe O3 -","- B Fe O3 -","- B6 Fe6 O18 -","6","0.166667","","Dong, Weiwei; Glazyrin, Konstantin; Khandarkhaeva, Saiana; Fedotenko, Timofey; Bednarčík, Jozef; Greenberg, Eran; Dubrovinsky, Leonid; Dubrovinskaia, Natalia; Liermann, Hanns-Peter","Fe~0.79~Si~0.07~B~0.14~ metallic glass gaskets for high-pressure research beyond 1Mbar","Journal of Synchrotron Radiation","2022","29","5","1167","1179","10.1107/S1600577522007573","","x-ray","0.2898","synchrotron","","0.0576","0.0576","","","0.122","0.122","","","","3.66","3.66","3.66","","","","has coordinates,has Fobs","278499","2022-10-08","16:32:38","" "1567979","9.1903","0.0019","9.1903","0.0019","89.58","0.02","90","","90","","120","","6552","2","110","2","110.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C42 H84 P2 -","- C42 H84 P2 -","- C252 H504 P12 -","6","0.166667","","Zhu, Yun; Stollenz, Michael; Zarcone, Samuel R.; Kharel, Sugam; Joshi, Hemant; Bhuvanesh, Nattamai; Reibenspies, Joseph H.; Gladysz, John A.","Syntheses, homeomorphic and configurational isomerizations, and structures of macrocyclic aliphatic dibridgehead diphosphines; molecules that turn themselves inside out","Chemical Science","2022","","","","","10.1039/D2SC04724A","","x-ray","1.54178","CuKα","","0.0668","0.04","","","0.0651","0.0707","","","","","","0.959","","","","has coordinates","279331","2022-11-16","23:16:49","" "1569357","59.1396","0.0019","59.1396","0.0019","32.143","0.003","90","","90","","120","","97358","10","273.15","","273.15","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C234 H204 Ag24 F36 N12 O24 S12 -","- C234 H204 Ag24 F36 N12 O24 S12 -","- C2106 H1836 Ag216 F324 N108 O216 S108 -","9","0.25","","Sakai, Jin; Biswas, Sourav; Irie, Tsukasa; Mabuchi, Haruna; Sekine, Taishu; Niihori, Yoshiki; Das, Saikat; Negishi, Yuichi","Synthesis and luminescence properties of two silver cluster-assembled materials for selective Fe3+ sensing.","Nanoscale","2023","15","29","12227","12234","10.1039/d3nr01920a","","","0.71073","MoKα","","0.1197","0.0794","","","0.2372","0.2813","","","","","","1.043","","","","has coordinates,has disorder","285465","2023-08-05","09:09:31","" "1569358","58.313","0.002","58.313","0.002","32.365","0.002","90","","90","","120","","95310","7","273.15","","273.15","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C234 H228 Ag24 F36 N12 O24 S12 -","- C234 H228 Ag24 F36 N12 O24 S12 -","- C2106 H2052 Ag216 F324 N108 O216 S108 -","9","0.25","","Sakai, Jin; Biswas, Sourav; Irie, Tsukasa; Mabuchi, Haruna; Sekine, Taishu; Niihori, Yoshiki; Das, Saikat; Negishi, Yuichi","Synthesis and luminescence properties of two silver cluster-assembled materials for selective Fe3+ sensing.","Nanoscale","2023","15","29","12227","12234","10.1039/d3nr01920a","","","0.71073","MoKα","","0.108","0.0721","","","0.2062","0.2519","","","","","","1.025","","","","has coordinates,has disorder","285465","2023-08-05","09:09:32","" "1570893","28.916","0.007","28.916","0.007","69.42","0.03","90","","90","","120","","50268","3","173","","173","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Ni9(pMPT)18","","- C126 H126 Ni9 S18 -","- C126 H126 Ni9 S18 -","- C1512 H1512 Ni108 S216 -","12","0.333333","","Xiang, Huixin; Cheng, Ranran; Ruan, Chenhao; Meng, Changqing; Gan, Yuzheng; Cheng, Wanyu; Zhao, Yue; Xu, Cong-Qiao; Li, Jun; Yao, Chuanhao","A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties.","Nanoscale","2024","16","9","4563","4570","10.1039/d3nr06015b","","x-ray","1.34139","GaKα","","0.0961","0.0666","","","0.1969","0.2151","","","","","","1.073","","","","has coordinates","291008","2024-04-04","23:57:38","" "1571160","14.9481","0.0016","14.9481","0.0016","7.3954","0.0011","90","","90","","120","","1431.1","0.3","99.99","","99.99","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Cl P5 -","- Ba3 Cl P4.9995 -","- Ba18 Cl6 P29.997 -","6","0.166667","","Ishtiyak, Mohd; Samarakoon, S M Gayomi K; Kandabadage Don, Thimira; Watts, Spencer R.; Baranets, Sviatoslav","Novel ternary Zintl phosphide halides Ba3P5X (X = Cl, Br) with 1D helical phosphorus chains: synthesis, crystal and electronic structure.","Nanoscale","2024","16","16","7916","7925","10.1039/d3nr06492a","","","0.71073","MoKα","","0.0299","0.0246","","","0.04","0.0408","","","","","","1.211","","","","has coordinates","291663","2024-05-05","03:40:56","" "1571161","15.045","0.004","15.045","0.004","7.537","0.003","90","","90","","120","","1477.5","0.8","99.99","","99.99","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Br P5 -","- Ba3 Br P4.9995 -","- Ba18 Br6 P29.997 -","6","0.166667","","Ishtiyak, Mohd; Samarakoon, S M Gayomi K; Kandabadage Don, Thimira; Watts, Spencer R.; Baranets, Sviatoslav","Novel ternary Zintl phosphide halides Ba3P5X (X = Cl, Br) with 1D helical phosphorus chains: synthesis, crystal and electronic structure.","Nanoscale","2024","16","16","7916","7925","10.1039/d3nr06492a","","","0.71073","MoKα","","0.0659","0.0479","","","0.1056","0.1114","","","","","","1.086","","","","has coordinates","291663","2024-05-05","03:41:02","" "1571553","14.5956","0.0009","14.5956","0.0009","7.6929","0.0004","90","","90","","120","","1419.27","0.14","300","2","300","2","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al78 Fe18 -","- Al78 Fe18 -","- Al78 Fe18 -","1","0.0277778","","Liu, Yibo; Fan, Changzeng; Xu, Zhefeng; Fu, Ruidong; Wen, Bin; Zhang, Lifeng","Orientation Relationship of the Intergrowth Al13Fe3 and Al13Fe4 Intermetallics Determined by Single-Crystal X-ray Diffraction","Metals","2024","14","4","463","","10.3390/met14040463","","","0.71073","MoKα","","0.0369","0.0327","","","0.0703","0.071","","","","","","1.326","","","","has coordinates","291704","2024-05-05","18:29:34","" "2001013","7.162","0.001","7.162","0.001","37.235","0.007","90","","90","","120","","1654.1","0.5","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","","","","","- B6 Ba O12 Sr -","- B6 Ba2 O12 Sr -","- B36 Ba12 O72 Sr6 -","6","0.166667","LI0063","Huang, Q.; Huang, L.; Dai, G.; Liang, J.","Structure of Sr~x~Ba~3{-~x}(B~3~O~6~)~2~ in a solid solution","Acta Crystallographica Section C","1992","48","3","539","541","10.1107/S0108270191009228","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2002676","9.6069","0.0008","9.6069","0.0008","11.513","0.002","90","","90","","120","","920.2","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Sodium tristrontium ruthenate(V)","","- Na O6 Ru Sr3 -","- Na O6 Ru Sr3 -","- Na6 O36 Ru6 Sr18 -","6","0.166667","","Frenzen, S; Mueller-Buschbaum, Hk","Ueber das gemischte alkali-Erdalkali-Oxoruthenat Na Sr3 Ru O6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","581","584","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00","" "2002684","9.6617","0.0014","9.6617","0.0014","11.658","0.0003","90","","90","","120","","942.5","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Strontium sodium platinate (3.7/.3/1)","","- Na0.33 O6 Pt Sr3.67 -","- Na0.33 O6 Pt Sr3.67 -","- Na1.98 O36 Pt6 Sr22.02 -","6","0.166667","","Tams, G; Mueller-Buschbaum, Hk","Zur Kristallchemie der Oxoplatinate. Eine neue Phase der Zusammensetzung Sr(4-x) Na(x) Pt O6 (x= 0.33)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1994","49","","581","584","","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2002756","9.636","0.0014","9.636","0.0014","11.556","0.003","90","","90","","120","","929.2","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Sodium tristrontium iridate(V)","","- Ir Na O6 Sr3 -","- Ir Na O6 Sr3 -","- Ir6 Na6 O36 Sr18 -","6","0.166667","","Mueller-Buschbaum, Hk; Frenzen, S","Ueber ein neues Oxoiridat(V) vom Sr4 Pt O6-Typ: Na Sr3 Ir O6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","225","228","","","","","","","0.0831","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00","" "2002786","10.1074","0.0011","10.1074","0.0011","11.872","0.002","90","","90","","120","","1050.3","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Sodium tribarium ruthenate(V)","","- Ba3 Na O6 Ru -","- Ba3 Na O6 Ru -","- Ba18 Na6 O36 Ru6 -","6","0.166667","","Frenzen, S; Mueller-Buschbaum, Hk","Ueber Na Ba3 Ru O6 und Na Ba3 Ir O6. Zwei EdelmetallOxometallate mit Sr4 Pt O6-Struktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1204","1206","","","","","","","0.0267","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00","" "2002787","10.1282","0.0014","10.1282","0.0014","11.905","0.002","90","","90","","120","","1057.6","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Sodium tribarium iridate(V)","","- Ba3 Ir Na O6 -","- Ba3 Ir Na O6 -","- Ba18 Ir6 Na6 O36 -","6","0.166667","","Frenzen, S; Mueller-Buschbaum, Hk","Ueber Na Ba3 Ru O6 und Na Ba3 Ir O6. Zwei EdelmetallOxometallate mit Sr4 Pt O6-Struktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1204","1206","","","","","","","0.0406","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00","" "2003081","12.946","0.002","12.946","0.002","16.806","0.003","90","","90","","120","","2439.3","0.7","120","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluorophosphate","","- C19 H9 F6 O3 P -","- C19 H9 F6 O3 P -","- C114 H54 F36 O18 P6 -","6","0.166667","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0336","0.0261","","","","0.0819","","","","","","1.047","","","","has coordinates","208975","2020-10-21","18:00:00","" "2003088","12.964","0.002","12.964","0.002","16.813","0.003","90","","90","","120","","2447.1","0.7","160","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluorophosphate","","- C19 H9 F6 O3 P -","- C19 H9 F6 O3 P -","- C114 H54 F36 O18 P6 -","6","0.166667","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0462","0.031","","","","0.0902","","","","","","1.036","","","","has coordinates","208975","2020-10-21","18:00:00","" "2003089","12.997","0.002","12.997","0.002","16.843","0.003","90","","90","","120","","2464","0.7","198","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluorophosphate","","- C19 H9 F6 O3 P -","- C19 H9 F6 O3 P -","- C114 H54 F36 O18 P6 -","6","0.166667","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0585","0.0333","","","","0.0988","","","","","","1.06","","","","has coordinates","208975","2020-10-21","18:00:00","" "2003090","13.015","0.002","13.015","0.002","16.859","0.003","90","","90","","120","","2473.2","0.7","220","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluorophosphate","","- C19 H9 F6 O3 P -","- C19 H9 F6 O3 P -","- C114 H54 F36 O18 P6 -","6","0.166667","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0593","0.0325","","","","0.0993","","","","","","1.022","","","","has coordinates","208975","2020-10-21","18:00:00","" "2003091","13.04","0.002","13.04","0.002","16.884","0.003","90","","90","","120","","2486.3","0.7","243","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluorophosphate","","- C19 H9 F6 O3 P -","- C19 H9 F6 O3 P -","- C114 H54 F36 O18 P6 -","6","0.166667","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0638","0.0296","","","","0.0953","","","","","","0.948","","","","has coordinates","208975","2020-10-21","18:00:00","" "2003092","13.067","0.002","13.067","0.002","16.91","0.003","90","","90","","120","","2500.5","0.7","268","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluorophosphate","","- C19 H9 F6 O3 P -","- C19 H9 F6 O3 P -","- C114 H54 F36 O18 P6 -","6","0.166667","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0758","0.0371","","","","0.1124","","","","","","1.067","","","","has coordinates","208975","2020-10-21","18:00:00","" "2003093","13.094","0.002","13.094","0.002","16.937","0.003","90","","90","","120","","2514.8","0.7","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluorophosphate","","- C19 H9 F6 O3 P -","- C19 H9 F6 O3 P -","- C114 H54 F36 O18 P6 -","6","0.166667","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0851","0.0344","","","","0.1106","","","","","","1.001","","","","has coordinates","208975","2020-10-21","18:00:00","" "2003094","13.111","0.002","13.111","0.002","16.953","0.003","90","","90","","120","","2523.8","0.7","313","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluorophosphate","","- C19 H9 F6 O3 P -","- C19 H9 F6 O3 P -","- C114 H54 F36 O18 P6 -","6","0.166667","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0863","0.0363","","","","0.1095","","","","","","1.054","","","","has coordinates","208975","2020-10-21","18:00:00","" "2003095","13.131","0.002","13.131","0.002","16.97","0.003","90","","90","","120","","2534","0.7","338","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluorophosphate","","- C19 H9 F6 O3 P -","- C19 H9 F6 O3 P -","- C114 H54 F36 O18 P6 -","6","0.166667","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.1019","0.0365","","","","0.1137","","","","","","1.049","","","","has coordinates","208975","2020-10-21","18:00:00","" "2003096","13.181","0.002","13.181","0.002","17.025","0.003","90","","90","","120","","2561.6","0.7","373","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluorophosphate","","- C19 H9 F6 O3 P -","- C19 H9 F6 O3 P -","- C114 H54 F36 O18 P6 -","6","0.166667","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.1208","0.042","","","","0.1276","","","","","","1.093","","","","has coordinates","208975","2020-10-21","18:00:00","" "2006032","12.0128","0.001","12.0128","0.001","35.16","0.003","90","","90","","120","","4394.1","0.6","163","2","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Tetraethylammonium Bromide","EthanaminiumN,N,N-triethyl Bromide","","- C8 H20 Br N -","- C8 H20 Br N -","- C144 H360 Br18 N18 -","18","0.5","BK1293","Ralle, M.; Bryan, J. C.; Habenschuss, A.; Wunderlich, B.","Low-Temperature Phase of Tetraethylammonium Bromide","Acta Crystallographica Section C","1997","53","4","488","490","10.1107/S0108270196015399","","","0.71073","MoKα","","0.054","0.026","","0.071","0.061","","","","1.06","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00","" "2006307","27.001","0.002","27.001","0.002","21.525","0.004","90","","90","","120","","13590","3","173","","173","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C26 H36 I N2 Nd Si2 -","- C26 H36 I N2 Nd Si2 -","- C468 H648 I18 N36 Nd18 Si36 -","18","0.5","FR1006","Clark, David L.; Gordon, John C.; Scott, Brian L.; Watkin, John G.","Iodobis(pyridine-N)bis(η^5^-trimethylsilylcyclopentadienyl)neodymium","Acta Crystallographica Section C","1997","53","7","850","852","10.1107/S0108270196014552","","","0.71073","MoKα","","0.0254","0.0197","","0.043","0.0413","","","","1.058","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00","" "2006460","9.827","0.004","9.827","0.004","31.658","0.006","90","","90","","120","","2647.6","1.6","295","2","295","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Br4 Re6 Se7 -","- Br4 Re6 Se7 -","- Br24 Re36 Se42 -","6","0.166667","BR1146","Pinheiro, Carlos Basílio; Speziali, Nivaldo Lúcio; Berger, Helmut","Re~6~Se~7~Br~4~","Acta Crystallographica Section C","1997","53","9","1178","1180","10.1107/S0108270197004666","","","0.56083","AgKα","","","0.026","","","0.037","","","","","3.304","3.304","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2006774","9.332","0.003","9.332","","11.264","0.002","90","","90","","120","","849.5","0.3","296.2","","296.2","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","tetra calcium platinum(IV) oxide","","- Ca4 O6 Pt -","- Ca4 O6 Pt -","- Ca24 O36 Pt6 -","6","0.166667","BR1172","Claridge, John Bleddyn; Layland, Ralph Charles; zur Loye, Hans-Conrad","Ca~4~PtO~6~","Acta Crystallographica Section C","1997","53","12","1740","1741","10.1107/S0108270197011700","","","0.7107","MoKα","","","0.0424","","","0.0494","","","","","3.282","3.282","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2006887","16.402","0.002","16.402","0.002","14.573","0.002","90","","90","","120","","3395.3","0.7","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Hexasilver Cerium(III) Nonanitrate","","- Ag6 Ce N9 O27 -","- Ag6 Ce N9 O27 -","- Ag36 Ce6 N54 O162 -","6","0.166667","TA1156","Audebrand, Nathalie; Auffrédic, Jean-Paul; Bénard-Rocherullé, Patricia; Louër, Daniel","Cerous Silver Nitrate, Ag~6~Ce(NO~3~)~9~","Acta Crystallographica Section C","1997","53","12","1748","1751","10.1107/S0108270197008688","","","0.71073","MoKα","","0.048","0.0397","","0.115","0.1075","","","","1.006","1.012","1.012","","","","","has coordinates","176759","2020-10-21","18:00:00","" "2007870","17.942","0.003","17.942","0.003","28.45","0.006","90","","90","","120","","7931","3","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- As6 H14 K6 O49 V15 -","- As6 K6 O49 V15 -","- As36 K36 O294 V90 -","6","0.166667","TA1192","Guo-Yu Yang; Lian-Shan Chen; Ji-Qing Xu; Ya-Feng Li; Hao-Ran Sun; Zhi-Wu Pei; Qiang Su; Yong-Hua Lin; Yan Xing; Heng-Qing Jia","K~6~[As~6~V~15~O~42~(H~2~O)].6H~2~O","Acta Crystallographica Section C","1998","54","11","1556","1558","10.1107/S0108270198005629","","","0.71073","MoKα","","0.042","0.031","","0.088","0.081","","","","1.143","1.269","1.269","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2009783","13.488","0.006","13.488","0.006","65.5","0.03","90","","90","","120","","10320","8","108","2","108","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","(μ~3~-iodo)(μ~3~-tetraselenidotungstide)tris(dimethylphenylphosphinesilver)","","- C24 H33 Ag3 I P3 Se4 W -","- C24 H33 Ag3 I P3 Se4 W -","- C288 H396 Ag36 I12 P36 Se48 W12 -","12","0.333333","HU1076","Ansari, Mohammad A.; Bollinger, John C.; Christuk, Christopher C.; Ibers, James A.","Synthesis and structure of [(μ~3~-I)(μ~3~-WSe~4~){Ag(PMe~2~Ph)}~3~]","Acta Crystallographica Section C","1994","50","6","869","871","10.1107/S0108270193012338","","","0.7093","MoKα~1~","","0.074","0.05","","0.129","0.121","","","","1.35","1.47","1.47","","","","","has coordinates","176759","2020-10-21","18:00:00","" "2010257","4.8217","0.0008","4.8217","0.0008","15.438","0.001","90","","90","","120","","310.83","0.08","296","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B In O3 -","- B In O3 -","- B6 In6 O18 -","6","0.166667","BR1064","Cox, J.R.; Keszler, D.A.","InBO~3~","Acta Crystallographica Section C","1994","50","12","1857","1859","10.1107/S0108270194003999","","","0.71069","MoKα","","","0.02","","","0.024","","","","","1.48","1.48","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2010706","9.423","0.001","9.423","0.001","36.945","0.008","90","","90","","120","","2841","0.7","298","","298","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Ba3 H6 O24 P6 V2 -","- Ba3 H6 O24 P6 V2 -","- Ba18 H36 O144 P36 V12 -","6","0.166667","BR1277","Harrison, William T. A.; Buttery, Jarrod H.","Barium vanadium(III) hydrogen phosphate, Ba~3~V~2~(HPO~4~)~6~","Acta Crystallographica Section C","2000","56","3","274","275","10.1107/S0108270199015735","","","0.71073","MoKα","","","0.047","","","","0.049","","","","","","1.06","","","","has coordinates","176435","2020-10-21","18:00:00","" "2011056","12.033","0.002","12.033","0.002","13.863","0.004","90","","90","","120","","1738.3","0.6","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","rinneite","tripotassium sodium hexachloroferrate(II)","","- Cl6 Fe K3 Na -","- Cl6 Fe K3 Na -","- Cl36 Fe6 K18 Na6 -","6","0.166667","QB0210","Figgis, Brian N.; Sobolev, Alexandre N.; Kucharski, Edward S.; Broughton, Vanessa","Rinneite, K~3~Na[FeCl~6~], at 293, 84 and 9.5K","Acta Crystallographica Section C","2000","56","6","e228","e229","10.1107/S0108270100006053","","","0.71073","MoKα","","0.017","0.017","","","","0.031","","","","","","1.623","","","","has coordinates,has Fobs","282532","2023-04-10","14:59:13","" "2011057","11.922","0.001","11.922","0.001","13.761","0.002","90","","90","","120","","1693.9","0.3","84","2","84","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","rinneite","tripotassium sodium hexachloroferrate(II)","","- Cl6 Fe K3 Na -","- Cl6 Fe K3 Na -","- Cl36 Fe6 K18 Na6 -","6","0.166667","QB0210","Figgis, Brian N.; Sobolev, Alexandre N.; Kucharski, Edward S.; Broughton, Vanessa","Rinneite, K~3~Na[FeCl~6~], at 293, 84 and 9.5K","Acta Crystallographica Section C","2000","56","6","e228","e229","10.1107/S0108270100006053","","","0.71073","MoKα","","0.02","0.018","","","","0.036","","","","","","1.398","","","","has coordinates,has Fobs","282532","2023-04-10","14:59:13","" "2011058","11.893","0.001","11.893","0.001","13.735","0.002","90","","90","","120","","1682.4","0.3","9.5","0.5","9.5","0.5","","","","","","","","4","R -3 c :H","-R 3 2""c","167","rinneite","tripotassium sodium hexachloroferrate(II)","","- Cl6 Fe K3 Na -","- Cl6 Fe K3 Na -","- Cl36 Fe6 K18 Na6 -","6","0.166667","QB0210","Figgis, Brian N.; Sobolev, Alexandre N.; Kucharski, Edward S.; Broughton, Vanessa","Rinneite, K~3~Na[FeCl~6~], at 293, 84 and 9.5K","Acta Crystallographica Section C","2000","56","6","e228","e229","10.1107/S0108270100006053","","","0.71073","MoKα","","0.02","0.02","","","","0.05","","","","","","1.459","","","","has coordinates,has Fobs","282532","2023-04-10","14:59:13","" "2011691","9.276","0.0003","9.276","0.0003","22.464","0.0008","90","","90","","120","","1673.9","","298","","298","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- As3 Na2.88 O12 Sc2 -","- As3 Na2.906 O12 Sc2 -","- As18 Na17.436 O72 Sc12 -","6","0.166667","","Harrison, William T. A.; Phillips, Mark L. F.","Sodium scandium arsenate, Na~3~Sc~2~(AsO~4~)~3~","Acta Crystallographica, Section C","2001","57","","02","03","10.1107/S010827010001372X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2011767","5.7537","0.0004","5.7537","0.0004","48.108","0.004","90","","90","","120","","1379.25","0.18","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- Al Br0.478 Ca2 Cl0.522 H10 O8 -","- Al Br0.478 Ca2 Cl0.522 H10.0002 O8 -","- Al6 Br2.868 Ca12 Cl3.132 H60.0012 O48 -","6","0.166667","IZ1005","Rapin, Jean-Philippe; François, Michel","The double-layered hydroxide 3CaO·Al~2~O~3~·0.5CaBr~2~·0.5CaCl~2~·10H~2~O","Acta Crystallographica Section C","2001","57","2","137","138","10.1107/S0108270100014025","","","0.71073","MoKα","","0.0585","0.0381","","","","0.0901","","","","","","1.05","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2011854","9.6413","0.0004","9.6413","0.0004","11.5935","0.0007","90","","90","","120","","933.29","0.08","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Tristrontium cadmium platinum hexaoxide","","- Cd O6 Pt Sr3 -","- Cd O6 Pt Sr3 -","- Cd6 O36 Pt6 Sr18 -","6","0.166667","BR1306","Smith, Mark D.; zur Loye, Hans-Conrad","Sr~3~ZnPtO~6~ and Sr~3~CdPtO~6~","Acta Crystallographica Section C","2001","57","4","337","338","10.1107/S0108270100020060","","","0.71073","MoKα","","0.032","0.03","","","","0.072","","","","","","1.086","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2011855","9.6267","0.0007","9.6267","0.0007","11.2292","0.0011","90","","90","","120","","901.23","0.13","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Tristrontium zinc platinum hexaoxide","","- O6 Pt Sr3 Zn -","- O6 Pt Sr3 Zn -","- O36 Pt6 Sr18 Zn6 -","6","0.166667","BR1306","Smith, Mark D.; zur Loye, Hans-Conrad","Sr~3~ZnPtO~6~ and Sr~3~CdPtO~6~","Acta Crystallographica Section C","2001","57","4","337","338","10.1107/S0108270100020060","","","0.71073","MoKα","","0.036","0.029","","","","0.059","","","","","","0.981","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2011989","12.5921","0.0015","12.5921","0.0015","73.721","0.007","90","","90","","120","","10123","2","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","Triaqua-hexakis-(μ-betaine)-μ~3~-oxo- triiron(III) trichloride bis(tetrachloromanganate) hexahydrate","","- C30 H84 Cl11 Fe3 Mn2 N6 O22 -","- C30 H84 Cl11 Fe3 Mn2 N6 O22 -","- C180 H504 Cl66 Fe18 Mn12 N36 O132 -","6","0.166667","SK1445","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Martin-Gil, J.","An oxo-centred trinuclear Fe^III^ complex: triaquahexakis(μ~2~-betaine-O:O')-μ~3~-oxo-triiron(III) bis(tetrachloromanganate) trichloride hexahydrate","Acta Crystallographica Section C","2001","57","5","542","545","10.1107/S0108270101002876","","","0.71073","MoKα","","0.1193","0.0399","","","","0.1121","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012343","9.303","0.0005","9.303","0.0005","11.0864","0.0008","90","","90","","120","","830.94","0.09","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Tetracalcium iridium hexaoxide","","- Ca4 Ir O6 -","- Ca4 Ir O6 -","- Ca24 Ir6 O36 -","6","0.166667","OS1140","Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Ca~4~IrO~6~, Ca~3~MgIrO~6~ and Ca~3~ZnIrO~6~","Acta Crystallographica Section C","2001","57","11","1234","1236","10.1107/S0108270101013282","","","0.71073","MoKα","","0.026","0.024","","","","0.061","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012344","9.2876","0.0004","9.2876","0.0004","11.02","0.0008","90","","90","","120","","823.23","0.08","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Tricalcium magnesium iridium hexaoxide","","- Ca3.34 Ir Mg0.66 O6 -","- Ca3.338 Ir Mg0.66 O6 -","- Ca20.028 Ir6 Mg3.96 O36 -","6","0.166667","OS1140","Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Ca~4~IrO~6~, Ca~3~MgIrO~6~ and Ca~3~ZnIrO~6~","Acta Crystallographica Section C","2001","57","11","1234","1236","10.1107/S0108270101013282","","","0.71073","MoKα","","0.016","0.015","","","","0.034","","","","","","1.094","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2012345","9.2641","0.0003","9.2641","0.0003","11.0298","0.0005","90","","90","","120","","819.79","0.05","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Tricalcium zinc iridium hexaoxide","","- Ca3.5 Ir O6 Zn0.5 -","- Ca3.5 Ir O6 Zn0.5 -","- Ca21 Ir6 O36 Zn3 -","6","0.166667","OS1140","Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Ca~4~IrO~6~, Ca~3~MgIrO~6~ and Ca~3~ZnIrO~6~","Acta Crystallographica Section C","2001","57","11","1234","1236","10.1107/S0108270101013282","","","0.71073","MoKα","","0.034","0.031","","","","0.077","","","","","","1.134","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2013036","25.7758","0.0013","25.7758","0.0013","8.7624","0.0006","90","","90","","120","","5041.7","0.5","293","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","henicosamagnesium pentacosazinc","","- Mg21 Zn25 -","- Mg21 Zn25 -","- Mg126 Zn150 -","6","0.166667","IZ1025","Černý, Radovan; Renaudin, Guillaume","The intermetallic compound Mg~21~Zn~25~","Acta Crystallographica Section C","2002","58","11","i154","i155","10.1107/S0108270102018103","","","0.71073","MoKα","","","0.032","","","","0.076","","","","","","0.958","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2013547","9.4424","0.00005","9.4424","0.00005","110.079","0.0007","90","","90","","120","","8499.63","0.08","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Cs6 Mo27 S31 -","- Cs6 Mo27 S31 -","- Cs36 Mo162 S186 -","6","0.166667","BC1009","Picard, S.; Salloum, D.; Gougeon, P.; Potel, M.","Cs~6~Mo~27~S~31~: a novel ternary reduced molybdenum sulfide containing Mo~9~ and Mo~18~ clusters","Acta Crystallographica Section C","2003","59","11","i112","i114","10.1107/S0108270103006243","","","0.71069","MoKα","","0.0421","0.0266","","","0.0447","0.0479","","","","","","1.122","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2014025","9.5012","0.0001","9.5012","0.0001","56.4199","0.0006","90","","90","","120","","4410.83","0.08","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Dicaesium pentadecamolybdenum nonadecasulfide","","- Cs2 Mo15 S19 -","- Cs2 Mo15 S19 -","- Cs12 Mo90 S114 -","6","0.166667","IZ1041","Picard, S.; Salloum, D.; Gougeon, P.; Potel, M.","Cs~2~Mo~15~S~19~: a novel ternary reduced molybdenum sulfide containing Mo~6~ and Mo~9~ clusters","Acta Crystallographica Section C","2004","60","6","i61","i62","10.1107/S0108270104008248","","","0.71069","MoKα","","0.0403","0.03","","","0.0584","0.0617","","","","","","1.157","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2014187","13.1572","0.0019","13.1572","0.0019","7.7434","0.0015","90","","90","","120","","1160.9","0.3","293","2","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B3 O6 Rb3 -","- B3 O6 Rb3 -","- B18 O36 Rb18 -","6","0.166667","IZ1042","Sabine Schmid; Wolfgang Schnick","Rubidium metaborate, Rb~3~B~3~O~6~","Acta Crystallographica Section C","2004","60","7","i69","i70","10.1107/S0108270104010066","","","0.71073","MoKα","","","0.0194","","","","0.0462","","","","","","1.221","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2015031","9.627","0.003","9.627","0.003","12.601","0.004","90","","90","","120","","1011.4","0.5","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Silver(I) trimercury(II) antimonate(V)","","- Ag Hg3 O6 Sb -","- Ag Hg3 O6 Sb -","- Ag6 Hg18 O36 Sb6 -","6","0.166667","IZ1063","Klein, Wilhelm; Jansen, Martin","Silver(I) trimercury(II) antimonate(V), AgHg~3~SbO~6~","Acta Crystallographica Section C","2005","61","9","i94","i95","10.1107/S0108270105024625","","","0.71073","MoKα","","0.049","0.0358","","","0.0578","0.0604","","","","","","0.848","","","","has coordinates","176760","2020-10-21","18:00:00","" "2015708","8.1558","0.0005","8.1558","0.0005","26.171","0.004","90","","90","","120","","1507.6","0.3","193","2","193","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","zinc hydrogen borate oxide","zinc hydrogen borate oxide","","- B3 H O11 Zn6 -","- B3 H O11 Zn6 -","- B18 H6 O66 Zn36 -","6","0.166667","SQ3040","Massa, Werner; Yakubovich, Olga V.; Dimitrova, Olga V.","Proton-stabilized three-dimensional anionic framework in H[Zn~6~O~2~(BO~3~)~3~]","Acta Crystallographica Section C","2006","62","12","i106","i108","10.1107/S0108270106041023","","","0.71073","MoKα","","0.0207","0.0193","","","0.0432","0.0435","","","","","","1.253","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2017555","9.0522","0.0013","9.0522","0.0013","26.964","0.005","90","","90","","120","","1913.5","0.5","295","2","295","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","dilanthanum(III) lead(II) bis[tetrasulfidosilicate(IV)]","","- La2 Pb S8 Si2 -","- La2.088 Pb0.912 S8 Si2 -","- La12.528 Pb5.472 S48 Si12 -","6","0.166667","FN3045","Gulay, L. D.; Daszkiewicz, M.; Ruda, I. P.; Marchuk, O. V.","La~2~Pb(SiS~4~)~2~","Acta Crystallographica Section C","2010","66","3","i19","i21","10.1107/S0108270110000247","","","0.71073","MoKα","","0.0161","0.0152","","","0.0432","0.0434","","","","","","1.22","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2018476","9.5173","0.0001","9.5173","0.0001","56.0061","0.0009","90","","90","","120","","4393.33","0.1","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","scandium dirubidium pentadecamolybdenum nonadecasulfide","","- Mo15 Rb2 S19 Sc0.43 -","- Mo15 Rb2 S19 Sc0.426 -","- Mo90 Rb12 S114 Sc2.556 -","6","0.166667","FN3104","Gougeon, Patrick; Al Rahal Al Orabi, Rabih; Gautier, Régis; Potel, Michel","Sc~0.43(2)~Rb~2~Mo~15~S~19~, a partially Sc-filled variant of Rb~2~Mo~15~S~19~","Acta Crystallographica Section C","2012","68","5","i25","i28","10.1107/S0108270112016605","","","0.71069","MoKα","","0.0308","0.0292","","","0.0619","0.0624","","","","","","1.253","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2018785","8.9266","0.0004","8.9266","0.0004","22.0738","0.0014","90","","90","","120","","1523.28","0.14","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Copper scandium zirconium phosphate","","- Cu1.92 O12 P3 Sc Zr -","- Cu1.914 O12 P3 Sc Zr -","- Cu11.484 O72 P18 Sc6 Zr6 -","6","0.166667","KU3084","Bond, Andrew D.; Warner, Terence E.","Copper scandium zirconium phosphate: occupancy of the M1 and M2 sites in the temperature range 100‒300K","Acta Crystallographica Section C","2013","69","2","105","110","10.1107/S0108270113000553","","","0.71073","MoKα","","0.022","0.0213","","","0.0504","0.0505","","","","","","1.298","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2018786","8.9344","0.0005","8.9344","0.0005","22.0918","0.0016","90","","90","","120","","1527.19","0.16","200","2","200","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Copper scandium zirconium phosphate","","- Cu1.92 O12 P3 Sc Zr -","- Cu1.908 O12 P3 Sc Zr -","- Cu11.448 O72 P18 Sc6 Zr6 -","6","0.166667","KU3084","Bond, Andrew D.; Warner, Terence E.","Copper scandium zirconium phosphate: occupancy of the M1 and M2 sites in the temperature range 100‒300K","Acta Crystallographica Section C","2013","69","2","105","110","10.1107/S0108270113000553","","","0.71073","MoKα","","0.0291","0.0265","","","0.0561","0.057","","","","","","1.194","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2018787","8.9206","0.0007","8.9206","0.0007","22.071","0.002","90","","90","","120","","1521","0.2","300","2","300","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Copper scandium zirconium phosphate","","- Cu1.92 O12 P3 Sc Zr -","- Cu1.926 O12 P3 Sc Zr -","- Cu11.556 O72 P18 Sc6 Zr6 -","6","0.166667","KU3084","Bond, Andrew D.; Warner, Terence E.","Copper scandium zirconium phosphate: occupancy of the M1 and M2 sites in the temperature range 100‒300K","Acta Crystallographica Section C","2013","69","2","105","110","10.1107/S0108270113000553","","","0.71073","MoKα","","0.0253","0.0226","","","0.0547","0.0576","","","","","","1.292","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2018876","4.748","","4.748","","15.262","","90","","90","","120","","297.964","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Sc B O3","","- B O3 Sc -","- B O3 Sc -","- B6 O18 Sc6 -","6","0.166667","","Sun, H.; Keszler, D.A.","Structure of Sc B O3","Acta Crystallographica C (39,1983-)","1988","44","","1505","1507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2018995","16.133","0.002","16.133","0.002","11.684","0.004","90","","90","","120","","2633.6","1","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","catena-Poly[tris(μ~3~-acetylacetonato)nickelate(II)sodium(I)]","","- C15 H21 Na Ni O6 -","- C15 H21 Na Ni O6 -","- C90 H126 Na6 Ni6 O36 -","6","0.166667","SK3482","Baldo, Bianca; Cruz, Carlos; Venegas-Yazigi, Diego; Vega, Andres; Paredes-García, Verónica","catena-Poly[tris(μ~3~-acetylacetonato)nickelate(II)sodium(I)]","Acta Crystallographica Section C","2013","69","5","506","508","10.1107/S0108270113009797","","","0.71073","MoKα","","0.0312","0.0262","","","0.067","0.0702","","","","","","1.142","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2019920","14.707","0.005","14.707","0.005","19.175","0.007","90","","90","","120","","3592","2","298","2","298","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Double hexakismolybdate(VI) de chrome et de nonasodium","Nonasodium chromium(III) hexakis[molybdate(VI)]","","- Cr Mo6 Na9 O24 -","- Cr Mo6 Na9 O24 -","- Cr6 Mo36 Na54 O144 -","6","0.166667","RU2063","Dridi, Wassim; Ennajeh, Ines; Zid, Mohamed Faouzi","Synthèse et étude structurale de Na9Cr(MoO4)6","Acta Crystallographica Section E Crystallographic Communications","2015","71","5","435","","10.1107/S2056989015005976","","","0.71073","MoKα","","0.0518","0.0282","","","0.0729","0.0779","","","","","","1.126","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2020031","25.847","","25.847","","8.771","","90","","90","","120","","5074.58","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Re25 Zr21 -","- Re25 Zr21 -","- Re150 Zr126 -","6","0.166667","","Cenzual, K.; Parthe, E.; Waterstrat, R.M.","Zr21 Re25, a new rhombohedral structure type containing 1.2 nm thick infinite Mg Zn2 (Laves) phases","Acta Crystallographica C (39,1983-)","1986","42","","261","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2020199","9.861","","9.861","","17.497","","90","","90","","120","","1473.45","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","H3 Al F6 (H2 O)6","","- Al F6 H15 O6 -","- Al F6 H15 O6 -","- Al6 F36 H90 O36 -","6","0.166667","","Mootz, D.; Oellers, E.J.; Wiebcke, M.","Structures of (I) hexafluoroaluminic acid hexahydrate and (II) pentafluoroaluminic acid pentahydrate","Acta Crystallographica C (39,1983-)","1988","44","","1334","1337","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2020252","5.50195","","5.50195","","13.2124","","90","","90","","120","","346.374","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","La Cu O2.892","","- Cu La O2.892 -","- Cu La O2.892 -","- Cu6 La6 O17.352 -","6","0.166667","","Currie, D.B.; Weller, M.T.","Structure of LaCuO3 by powder neutron diffraction","Acta Crystallographica C (39,1983-)","1991","47","","696","698","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2020339","9.384","","9.384","","18.899","","90","","90","","120","","1441.27","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Rb (U O2) (N O3)3","","- N3 O11 Rb U -","- N3 O11 Rb U -","- N18 O66 Rb6 U6 -","6","0.166667","","Zalkin, A.; Templeton, L.K.; Templeton, D.H.","Structure of rubidium uranyl(VI) trinitrate","Acta Crystallographica C (39,1983-)","1989","45","","810","811","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2020349","10.2101","","10.2101","","12.6172","","90","","90","","120","","1139.08","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Ba4 (Pt O6)","","- Ba4 O6 Pt -","- Ba4 O6 Pt -","- Ba24 O36 Pt6 -","6","0.166667","","Wilkinson, A.P.; Cheetham, A.K.","The structure of Ba4 Pt O6 from time-of-flight powder neutron diffraction data","Acta Crystallographica C (39,1983-)","1989","45","","1672","1674","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2021116","8.425","0.001","8.425","0.001","54.749","0.011","90","","90","","120","","3365.5","0.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","rubidium iron bis(hydrogen arsenate)","Rubidium iron bis[hydrogen arsenate(V)]","","- As2 Fe H2 O8 Rb -","- As2 Fe H2 O8 Rb -","- As36 Fe18 H36 O144 Rb18 -","18","0.5","PJ2051","Schwendtner, Karolina; Kolitsch, Uwe","RbFe(HAsO4)2 and TlFe(HAsO4)2, two new hydrogenarsenates adopting two closely related structure types","Acta Crystallographica Section E Crystallographic Communications","2018","74","6","766","","10.1107/S2056989018006473","","","0.71073","MoKα","","0.0246","0.0206","","","0.0506","0.0519","","","","","","1.115","","","","has coordinates,has Fobs","207602","2020-10-21","18:00:00","" "2021333","10.3982","0.0015","10.3982","0.0015","38.858","0.008","90","","90","","120","","3638.5","1.1","293","2","293","2","","","","","","","synthesised by authors, see text","5","R -3 c :H","-R 3 2""c","167","","","","- Ag1.01 In Mo3 O12 Rb2 -","- Ag1.0089 In0.9971 Mo3 O12 Rb2 -","- Ag12.1068 In11.9652 Mo36 O144 Rb24 -","12","0.333333","LY3077","Spiridonova, Tatyana S.; Solodovnikov, Sergey F.; Savina, Aleksandra A.; Kadyrova, Yulia M.; Solodovnikova, Zoya A.; Yudin, Vasiliy N.; Stefanovich, Sergey Yu.; Khaikina, Elena G.","New triple molybdate Rb~2~AgIn(MoO~4~)~3~: synthesis, framework crystal structure and ion-transport behaviour","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014717","","","0.71073","MoKα","","0.0326","0.0225","","","0.0548","0.0572","","","","","","1.009","","","","has coordinates,has Fobs","211918","2020-10-21","18:00:00","" "2023017","14.0021","0.0003","14.0021","0.0003","63.523","0.003","90","","90","","120","","10785.7","0.6","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C66 H44 Cu3 Eu2 N18 O31 -","- C66 H42 Cu3 Eu2 N18 O30 -","- C396 H252 Cu18 Eu12 N108 O180 -","6","0.166667","OC3022","Yang, Ke; Yang, Yuting; Yao, Ziqin; Cheng, Sisi; Cui, Xue; Wang, Xingyi; Han, Yi; Yi, Feiyan; Mo, Guang","High-pressure study of a 3d–4f heterometallic CuEu–organic skeleton","Acta Crystallographica Section C Structural Chemistry","2024","80","2","49","55","10.1107/S205322962400010X","","","0.71073","MoKα","","0.0377","0.0296","","","0.0856","0.0912","","","","","","1.075","","","","has coordinates","289254","2024-02-01","03:03:25","" "2100189","4.987","0.0006","4.987","","17.058","0.002","90","","90","","120","","367.4","0.06","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","LC5015","Caspi, El'ad N.; Pokroy, Boaz; Lee, Peter L.; Quintana, John P.; Zolotoyabko, Emil","On the structure of aragonite","Acta Crystallographica Section B","2005","61","2","129","132","10.1107/S0108768105005240","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00","" "2100635","5.1979","0.0004","5.1979","","13.339","0.002","90","","90","","120","","312.11","0.05","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","Iron Fluoride","Iron(III) fluoride","","- F3 Fe -","- F3 Fe -","- F18 Fe6 -","6","0.166667","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the compression mechanism of FeF~3~","Acta Crystallographica Section B","2006","62","6","987","992","10.1107/S0108768106030023","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2100638","5.0094","0.0005","5.0094","","13.3971","0.0021","90","","90","","120","","291.15","0.05","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","Iron Fluoride","Iron(III) fluoride","","- F3 Fe -","- F3 Fe -","- F18 Fe6 -","6","0.166667","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the compression mechanism of FeF~3~","Acta Crystallographica Section B","2006","62","6","987","992","10.1107/S0108768106030023","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2100641","4.919","0.0005","4.919","","13.4307","0.002","90","","90","","120","","281.44","0.05","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","Iron Fluoride","Iron(III) fluoride","","- F3 Fe -","- F3 Fe -","- F18 Fe6 -","6","0.166667","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the compression mechanism of FeF~3~","Acta Crystallographica Section B","2006","62","6","987","992","10.1107/S0108768106030023","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2100644","4.7683","0.0005","4.7683","","13.4386","0.0022","90","","90","","120","","264.61","0.05","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","Iron Fluoride","Iron(III) fluoride","","- F3 Fe -","- F3 Fe -","- F18 Fe6 -","6","0.166667","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the compression mechanism of FeF~3~","Acta Crystallographica Section B","2006","62","6","987","992","10.1107/S0108768106030023","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2100647","4.6866","0.0006","4.6866","","13.3677","0.003","90","","90","","120","","254.27","0.07","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","Iron Fluoride","Iron(III) fluoride","","- F3 Fe -","- F3 Fe -","- F18 Fe6 -","6","0.166667","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the compression mechanism of FeF~3~","Acta Crystallographica Section B","2006","62","6","987","992","10.1107/S0108768106030023","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2100650","5.1145","0.0005","5.1145","","13.347","0.002","90","","90","","120","","302.36","0.05","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","Iron Fluoride","Iron(III) fluoride","","- F3 Fe -","- F3 Fe -","- F18 Fe6 -","6","0.166667","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the compression mechanism of FeF~3~","Acta Crystallographica Section B","2006","62","6","987","992","10.1107/S0108768106030023","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2100653","4.9636","0.0005","4.9636","","13.419","0.002","90","","90","","120","","286.32","0.05","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","Iron Fluoride","Iron(III) fluoride","","- F3 Fe -","- F3 Fe -","- F18 Fe6 -","6","0.166667","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the compression mechanism of FeF~3~","Acta Crystallographica Section B","2006","62","6","987","992","10.1107/S0108768106030023","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2100656","4.84","0.0004","4.84","","13.4413","0.0019","90","","90","","120","","272.69","0.04","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","Iron Fluoride","Iron(III) fluoride","","- F3 Fe -","- F3 Fe -","- F18 Fe6 -","6","0.166667","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the compression mechanism of FeF~3~","Acta Crystallographica Section B","2006","62","6","987","992","10.1107/S0108768106030023","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2100659","4.7202","0.0005","4.7202","","13.411","0.002","90","","90","","120","","258.77","0.05","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","Iron Fluoride","Iron(III) fluoride","","- F3 Fe -","- F3 Fe -","- F18 Fe6 -","6","0.166667","AV5063","Jørgensen, Jens-Erik; Smith, R. I.","On the compression mechanism of FeF~3~","Acta Crystallographica Section B","2006","62","6","987","992","10.1107/S0108768106030023","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2100992","4.991","0.002","4.991","0.002","17.062","0.002","90","","90","","120","","368.1","0.3","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","AS0621","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.","X-ray study of the electron density in calcite, CaCo~3~","Acta Crystallographica Section B","1993","49","4","636","641","10.1107/S0108768193002575","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205135","2020-10-21","18:00:00","" "2101052","4.754","0.0005","4.754","0.0005","12.982","0.0006","90","","90","","120","","254.09","0.06","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","AS0628","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.; Satow, Y.","Synchrotron X-ray study of the electron density in α-Al~2~O~3~","Acta Crystallographica Section B","1993","49","6","973","980","10.1107/S0108768193006901","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","203286","2020-10-21","18:00:00","" "2101053","4.754","0.0005","4.754","0.0005","12.982","0.0006","90","","90","","120","","254.09","0.06","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","AS0628","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.; Satow, Y.","Synchrotron X-ray study of the electron density in α-Al~2~O~3~","Acta Crystallographica Section B","1993","49","6","973","980","10.1107/S0108768193006901","","","0.6991","electron","","","","","","","","","","","","","","","","","has coordinates","203286","2020-10-21","18:00:00","" "2101054","4.754","0.0005","4.754","0.0005","12.982","0.0006","90","","90","","120","","254.09","0.06","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","AS0628","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.; Satow, Y.","Synchrotron X-ray study of the electron density in α-Al~2~O~3~","Acta Crystallographica Section B","1993","49","6","973","980","10.1107/S0108768193006901","","","0.9","electron","","","","","","","","","","","","","","","","","has coordinates","203286","2020-10-21","18:00:00","" "2101055","4.754","0.0005","4.754","0.0005","12.982","0.0006","90","","90","","120","","254.09","0.06","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","AS0628","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.; Satow, Y.","Synchrotron X-ray study of the electron density in α-Al~2~O~3~","Acta Crystallographica Section B","1993","49","6","973","980","10.1107/S0108768193006901","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","203286","2020-10-21","18:00:00","" "2101056","4.754","0.0005","4.754","0.0005","12.982","0.0006","90","","90","","120","","254.09","0.06","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","AS0628","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.; Satow, Y.","Synchrotron X-ray study of the electron density in α-Al~2~O~3~","Acta Crystallographica Section B","1993","49","6","973","980","10.1107/S0108768193006901","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","203286","2020-10-21","18:00:00","" "2101057","4.635","0.001","4.635","0.001","15.023","0.002","90","","90","","120","","279.5","0.09","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","","","","","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","AS0629","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.","X-ray study of the electron density in magnesite MgCO~3~","Acta Crystallographica Section B","1993","49","6","980","984","10.1107/S0108768193006615","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2101167","5.0355","0.0005","5.0355","0.0005","13.7471","0.0007","90","","90","","120","","301.88","0.07","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","","","","Hematite","- Fe2 O3 -","- Fe2 O3 -","- Fe12 O18 -","6","0.166667","AS0661","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.","Synchrotron X-ray study of the electron density in α-Fe~2~O~3~","Acta Crystallographica Section B","1994","50","4","435","441","10.1107/S0108768194002284","","","0.7","synchrotron","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:21","" "2101168","5.0355","0.0005","5.0355","0.0005","13.7471","0.0007","90","","90","","120","","301.88","0.07","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","","","","Hematite","- Fe2 O3 -","- Fe2 O3 -","- Fe12 O18 -","6","0.166667","AS0661","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.","Synchrotron X-ray study of the electron density in α-Fe~2~O~3~","Acta Crystallographica Section B","1994","50","4","435","441","10.1107/S0108768194002284","","","0.7","synchrotron","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:21","" "2101169","5.0355","0.0005","5.0355","0.0005","13.7471","0.0007","90","","90","","120","","301.88","0.07","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","","","","","- Fe2 O3 -","- Fe2 O3 -","- Fe12 O18 -","6","0.166667","AS0661","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.","Synchrotron X-ray study of the electron density in α-Fe~2~O~3~","Acta Crystallographica Section B","1994","50","4","435","441","10.1107/S0108768194002284","","","0.7","synchrotron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00","" "2101178","5.285","0.0008","5.285","0.0008","13.8488","0.0008","90","","90","","120","","334.99","","","","1450","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.166667","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00","" "2101179","5.2898","0.0012","5.2898","0.0012","13.8485","0.0012","90","","90","","120","","335.59","","","","1480","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.166667","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00","" "2101180","5.292","0.004","5.292","0.004","13.846","0.004","90","","90","","120","","335.81","","","","1505","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.166667","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00","" "2101183","5.2849","0.0008","5.2849","0.0008","13.8481","0.0008","90","","90","","120","","334.96","","","","1450","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Li Nb O3 -","- Li2 Nb O3 -","- Li12 Nb6 O18 -","6","0.166667","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00","" "2101184","5.2897","0.0012","5.2897","0.0012","13.8476","0.0012","90","","90","","120","","335.56","","","","1480","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Li Nb O3 -","- Li2 Nb O3 -","- Li12 Nb6 O18 -","6","0.166667","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00","" "2101185","5.292","0.004","5.292","0.004","13.845","0.004","90","","90","","120","","335.79","","","","1505","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Li Nb O3 -","- Li2 Nb O3 -","- Li12 Nb6 O18 -","6","0.166667","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00","" "2101316","7.261","","7.261","","110.58","","90","","90","","120","","5048.94","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","","","","","- Cs6 O36 W11 -","- Cs6 O36 W11 -","- Cs36 O216 W66 -","6","0.166667","CR0484","Marsh, R. E.; Bernal, I.","More space-group changes","Acta Crystallographica Section B","1995","51","3","300","307","10.1107/S0108768194011857","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2101387","4.773","0.001","4.773","0.001","15.642","0.001","90","","90","","120","","308.6","0.1","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Rhodochrosite","- C Mn O3 -","- C Mn O3 -","- C6 Mn6 O18 -","6","0.166667","AS0682","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.","Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO~3~, MgCO~3~ and MnCO~3~","Acta Crystallographica Section B","1995","51","6","929","939","10.1107/S0108768195006434","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:08","" "2102652","4.9863","0.0002","4.9863","0.0002","13.2142","0.0007","90","","90","","120","","284.53","0.02","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2102653","4.9106","0.0002","4.9106","0.0002","13.2286","0.0009","90","","90","","120","","276.26","0.02","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2102654","4.8593","0.0002","4.8593","0.0002","13.2329","0.0009","90","","90","","120","","270.6","0.02","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2102655","4.786","0.0003","4.786","0.0003","13.237","0.001","90","","90","","120","","262.58","0.03","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2102656","4.7189","0.0002","4.7189","0.0002","13.219","0.001","90","","90","","120","","254.92","0.02","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2102657","4.6639","0.0002","4.6639","0.0002","13.192","0.001","90","","90","","120","","248.51","0.02","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2102658","4.6382","0.0002","4.6382","0.0002","13.172","0.001","90","","90","","120","","245.4","0.02","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2102659","4.6265","0.0003","4.6265","0.0003","13.163","0.001","90","","90","","120","","244","0.03","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103123","10.0793","0.0007","10.0793","0.0007","48.409","0.004","90","","90","","120","","4259.1","0.6","133","2","133","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C24 H54 O3 Si3 -","- C24 H54 O3 Si3 -","- C144 H324 O18 Si18 -","6","0.166667","JZ0014","Herbst-Irmer, Regine; Sheldrick, George M.","Refinement of obverse/reverse twins","Acta Crystallographica, Section B: Structural Science","2002","58","3","477","481","10.1107/S0108768102001039","","","0.71073","MoKα","","0.0425","0.0349","","","0.0875","0.0903","","","","","","1.111","","","","has coordinates","203217","2020-10-21","18:00:00","" "2104718","5.7515","0.0008","5.7515","","14.095","0.004","90","","90","","120","","403.79","0.13","298","","298","","1090000","","","","","","","4","R -3 c :H","-R 3 2""c","167","PST","Lead Scandium Tantalate","","- O3 Pb Sc0.5 Ta0.5 -","- O3 Pb Sc0.5 Ta0.5 -","- O18 Pb6 Sc3 Ta3 -","6","0.166667","HW5008","Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich","Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure","Acta Crystallographica Section B","2010","66","3","280","291","10.1107/S0108768110014631","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2104719","5.7444","0.0009","5.7444","","14.078","0.004","90","","90","","120","","402.31","0.13","298","","298","","1510000","","","","","","","4","R -3 c :H","-R 3 2""c","167","PST","Lead Scandium Tantalate","","- O3 Pb Sc0.5 Ta0.5 -","- O3 Pb Sc0.5 Ta0.5 -","- O18 Pb6 Sc3 Ta3 -","6","0.166667","HW5008","Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich","Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure","Acta Crystallographica Section B","2010","66","3","280","291","10.1107/S0108768110014631","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2104720","5.7374","0.0009","5.7374","","14.056","0.004","90","","90","","120","","400.7","0.13","298","","298","","1840000","","","","","","","4","R -3 c :H","-R 3 2""c","167","PST","Lead Scandium Tantalate","","- O3 Pb Sc0.5 Ta0.5 -","- O3 Pb Sc0.5 Ta0.5 -","- O18 Pb6 Sc3 Ta3 -","6","0.166667","HW5008","Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich","Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure","Acta Crystallographica Section B","2010","66","3","280","291","10.1107/S0108768110014631","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2104721","5.7275","0.0005","5.7275","","14.024","0.003","90","","90","","120","","398.41","0.09","298","","298","","2630000","","","","","","","4","R -3 c :H","-R 3 2""c","167","PST","Lead Scandium Tantalate","","- O3 Pb Sc0.5 Ta0.5 -","- O3 Pb Sc0.5 Ta0.5 -","- O18 Pb6 Sc3 Ta3 -","6","0.166667","HW5008","Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich","Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure","Acta Crystallographica Section B","2010","66","3","280","291","10.1107/S0108768110014631","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2104722","5.7147","0.0005","5.7147","","13.996","0.002","90","","90","","120","","395.84","0.07","298","","298","","3580000","","","","","","","4","R -3 c :H","-R 3 2""c","167","PST","Lead Scandium Tantalate","","- O3 Pb Sc0.5 Ta0.5 -","- O3 Pb Sc0.5 Ta0.5 -","- O18 Pb6 Sc3 Ta3 -","6","0.166667","HW5008","Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich","Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure","Acta Crystallographica Section B","2010","66","3","280","291","10.1107/S0108768110014631","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2104723","5.7002","0.0005","5.7002","","13.935","0.002","90","","90","","120","","392.12","0.07","298","","298","","5100000","","","","","","","4","R -3 c :H","-R 3 2""c","167","PST","Lead Scandium Tantalate","","- O3 Pb Sc0.5 Ta0.5 -","- O3 Pb Sc0.5 Ta0.5 -","- O18 Pb6 Sc3 Ta3 -","6","0.166667","HW5008","Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich","Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure","Acta Crystallographica Section B","2010","66","3","280","291","10.1107/S0108768110014631","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2104724","5.7001","0.0006","5.7001","","13.901","0.002","90","","90","","120","","391.15","0.07","298","","298","","5480000","","","","","","","4","R -3 c :H","-R 3 2""c","167","PST","Lead Scandium Tantalate","","- O3 Pb Sc0.5 Ta0.5 -","- O3 Pb Sc0.5 Ta0.5 -","- O18 Pb6 Sc3 Ta3 -","6","0.166667","HW5008","Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich","Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure","Acta Crystallographica Section B","2010","66","3","280","291","10.1107/S0108768110014631","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2104725","5.6828","0.0003","5.68276","","13.8439","0.0012","90","","90","","120","","387.18","0.04","298","","298","","7350000","","","","","","","4","R -3 c :H","-R 3 2""c","167","PST","Lead Scandium Tantalate","","- O3 Pb Sc0.5 Ta0.5 -","- O3 Pb Sc0.5 Ta0.5 -","- O18 Pb6 Sc3 Ta3 -","6","0.166667","HW5008","Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich","Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure","Acta Crystallographica Section B","2010","66","3","280","291","10.1107/S0108768110014631","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2104731","5.7209","0.0004","5.7209","","14.016","0.002","90","","90","","120","","397.27","0.06","298","","298","","3520000","","","","","","","5","R -3 c :H","-R 3 2""c","167","PST-Ba","Ba-doped Lead Scandium Tantalate","","- Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5 -","- Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5 -","- Ba1.38 O18 Pb4.62 Sc3 Ta3 -","6","0.166667","HW5008","Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich","Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure","Acta Crystallographica Section B","2010","66","3","280","291","10.1107/S0108768110014631","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2104732","5.6797","0.0005","5.6797","","13.919","0.003","90","","90","","120","","388.86","0.09","298","","298","","6870000","","","","","","","5","R -3 c :H","-R 3 2""c","167","PST-Ba","Ba-doped Lead Scandium Tantalate","","- Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5 -","- Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5 -","- Ba1.38 O18 Pb4.62 Sc3 Ta3 -","6","0.166667","HW5008","Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich","Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure","Acta Crystallographica Section B","2010","66","3","280","291","10.1107/S0108768110014631","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2104746","4.68658","0.00024","4.68658","0.00024","15.3832","0.0012","90","","90","","120","","292.61","0.03","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C Fe O3 -","- C6 Fe6 O18 -","6","0.166667","KD5037","Elliot, Alexander Dean","Structure of pyrrhotite 5C (Fe~9~S~10~)","Acta Crystallographica Section B","2010","66","3","271","279","10.1107/S0108768110011845","powder diffraction","","","","","","","","","","","","0.01728","","","","","","","","has coordinates","209175","2020-10-21","18:00:00","" "2104757","4.68653","0.00024","4.68653","0.00024","15.3832","0.0012","90","","90","","120","","292.6","0.03","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C Fe O3 -","- C6 Fe6 O18 -","6","0.166667","KD5037","Elliot, Alexander Dean","Structure of pyrrhotite 5C (Fe~9~S~10~)","Acta Crystallographica Section B","2010","66","3","271","279","10.1107/S0108768110011845","powder diffraction","","","","","","","","","","","","0.01725","","","","","","","","has coordinates","209175","2020-10-21","18:00:00","" "2105251","5.7534","0.0001","5.7534","0.0001","46.389","0.001","90","","90","","120","","1329.83","0.04","347.15","","347.15","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Carbonated calcium hemicarboaluminate","Tetracalcium dialuminium dodecahydroxide hemicarbonate hydroxide n-hydrate","","- C0.4 Al Ca2 O9.2 -","- C0.4 Al Ca2 O9.2 -","- C2.4 Al6 Ca12 O55.2 -","6","0.166667","EB5017","Runčevski, Tomče; Dinnebier, Robert E.; Magdysyuk, Oxana V.; Pöllmann, Herbert","Crystal structures of calcium hemicarboaluminate and carbonated calcium hemicarboaluminate from synchrotron powder diffraction data","Acta Crystallographica Section B","2012","68","5","493","500","10.1107/S010876811203042X","powder diffraction","","0.8264","Synchrotron","","","","","","","","","","6.33","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2105252","5.7757","0.0001","5.7757","0.0001","48.812","0.002","90","","90","","120","","1410.15","0.07","297.15","","297.15","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Calcium hemicarboaluminate","Tetracalcium dialuminium dodecahydroxide hemicarbonate hydroxide n-hydrate","","- C0.25 Al Ca2 O9.25 -","- C0.25 Al Ca2 O9.24998 -","- C1.5 Al6 Ca12 O55.4999 -","6","0.166667","EB5017","Runčevski, Tomče; Dinnebier, Robert E.; Magdysyuk, Oxana V.; Pöllmann, Herbert","Crystal structures of calcium hemicarboaluminate and carbonated calcium hemicarboaluminate from synchrotron powder diffraction data","Acta Crystallographica Section B","2012","68","5","493","500","10.1107/S010876811203042X","powder diffraction","","0.8264","Synchrotron","","","","","","","","","","5.233","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2106075","11.192","","11.192","","28.36","","90","","90","","120","","3076.47","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Ca (S O3) (H2 O)4","","- Ca H8 O7 S -","- Ca O7 S -","- Ca18 O126 S18 -","18","0.5","","Baur, W.H.; Tillmanns, E.","How to avoid unneccessarily low symmetry in crystal structure determinations","Acta Crystallographica B (39,1983-)","1986","42","","95","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2106209","5.1286","","5.1286","","13.839","","90","","90","","120","","315.234","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Ti1.886 O3","","- O3 Ti1.886 -","- O3 Ti1.886 -","- O18 Ti11.316 -","6","0.166667","","Rice, C.E.; Robinson, W.R.","High-temperature crystal chemistry of Ti2 O3 : structural changes accompanying the semiconductor-metal transition","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1342","1348","","","","","","","","","","","","","","","","","","","","","","has coordinates","147527","2020-10-21","18:00:00","" "2106210","5.1417","","5.1417","","13.731","","90","","90","","120","","314.374","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Ti1.850 O3","","- O3 Ti1.85 -","- O3 Ti1.85 -","- O18 Ti11.1 -","6","0.166667","","Rice, C.E.; Robinson, W.R.","High-temperature crystal chemistry of Ti2 O3 : structural changes accompanying the semiconductor-metal transition","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1342","1348","","","","","","","","","","","","","","","","","","","","","","has coordinates","147529","2020-10-21","18:00:00","" "2106276","7.5056","","7.5056","","19.691","","90","","90","","120","","960.659","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Rh3 Sc Si7 -","- Rh3 Sc Si7 -","- Rh18 Sc6 Si42 -","6","0.166667","","Chabot, B.; Engel, N.; Parthe, E.","Trirhodium scandium heptasilicide and triiridium scandium heptasilicide with a new rhombohedral structure type","Acta Crystallographica B (24,1968-38,1982)","1981","37","","671","673","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2106277","7.501","","7.501","","19.909","","90","","90","","120","","970.104","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ir3 Sc Si7 -","- Ir3 Sc Si7 -","- Ir18 Sc6 Si42 -","6","0.166667","","Chabot, B.; Engel, N.; Parthe, E.","Trirhodium scandium heptasilicide and triiridium scandium heptasilicide with a new rhomboedral structure type","Acta Crystallographica B (24,1968-38,1982)","1981","37","","671","673","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2106433","12.76","","12.76","","7.34","","90","","90","","120","","1034.97","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","K3 (B3 O6)","","- B3 K3 O6 -","- B3 K3 O6 -","- B18 K18 O36 -","6","0.166667","","Schneider, W.; Carpenter, G.B.","Bond lengths and thermal parameters of potassium metaborate, K3 B3 O6","Acta Crystallographica B (24,1968-38,1982)","1970","26","","1189","1191","","","","","","","","","","","","","","","","","","","","","","has coordinates","149897","2020-10-21","18:00:00","" "2106583","4.9776","","4.9776","","13.9647","","90","","90","","120","","299.642","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","V2 O3","","- O3 V2 -","- O3 V2 -","- O18 V12 -","6","0.166667","","Robinson, W.R.","High-temperature crystal chemistry of V2 O3 and 1% chromium- doped V2 O3","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1153","1160","","","","","","","","","","","","","","","","","","","","","","has coordinates","151552","2020-10-21","18:00:00","" "2106584","4.9974","","4.9974","","13.926","","90","","90","","120","","301.193","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(Cr0.01 V0.99)2 O3","","- Cr0.02 O3 V1.98 -","- Cr0.02 O3 V1.98 -","- Cr0.12 O18 V11.88 -","6","0.166667","","Robinson, W.R.","High-temperature crystal chemistry of V2 O3 and 1% chromium-doped V2 O3","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1153","1160","","","","","","","","","","","","","","","","","","","","","","has coordinates","151553","2020-10-21","18:00:00","" "2106940","18.132","","18.132","","14.149","","90","","90","","120","","4028.54","","","","","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","C6 H24 N12 O18 Cl3 Ti","","- C6 H24 Cl3 N12 O18 Ti -","- C6 Cl3 N12 O18 Ti -","- C36 Cl18 N72 O108 Ti6 -","6","0.166667","","Figgis, B.N.; Wadley, L.G.B.; Graham, J.","Crystal Structure of Hexaurea Salts of Trivalent Metals. I. Ti(Urea)6(Cl O4)3 at Room Temperature","Acta Crystallographica B (24,1968-38,1982)","1972","28","","187","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2106959","12.469","","12.469","","32.92","","90","","90","","120","","4432.55","","","","","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","Na2 Zn3 (Fe (C N)6)2 (H2 O)9","","- C12 H18 Fe2 N12 Na2 O9 Zn3 -","- C12 Fe2 N12 Na1.8 O9.36 Zn3 -","- C72 Fe12 N72 Na10.8 O56.16 Zn18 -","6","0.166667","","Garnier, E.; Gravereau, P.; Hardy, A.","Zeolitic Iron Cyanides: The Structure of Na2 Zn3 (Fe (C N)6)2 (H2 O)x","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1401","1405","","","","","","","","","","","","","","","","","","","","","","has coordinates","165411","2020-10-21","18:00:00","" "2106963","9.061","","9.061","","34.34","","90","","90","","120","","2441.65","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Na3 P O3 S (H2 O)12","","- H24 Na3 O15 P S -","- H24 Na3 O15 P S -","- H144 Na18 O90 P6 S6 -","6","0.166667","","Goldstein, B.M.","Disorder in the Structure of Trisodium Phosphorothioate Dodecahydrate","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1116","1120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2108664","14.279","0.0002","14.279","0.0002","19.7589","0.0004","90","","90","","120","","3488.9","0.1","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- K3 Mo6 Na Ni4 O24 -","- K3 Mo6 Na Ni4 O24 -","- K18 Mo36 Na6 Ni24 O144 -","6","0.166667","","Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.","Triple molybdates K~3{‒~x}Na~1+x~M~4~(MoO~4~)~6~ (M~= Ni, Mg, Co) and K~3+x~Li~1{‒~x}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010677","","","0.71073","MoKα","","0.0255","0.0237","","","0.0509","0.0514","","","","","","1.294","","","","has coordinates,has Fobs","256762","2020-10-21","18:00:00","" "2108665","14.2719","0.0002","14.2719","0.0002","19.8063","0.0004","90","","90","","120","","3493.8","0.1","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- K2.51 Mo6 Na1.49 Ni4 O24 -","- K2.5134 Mo6 Na1.486 Ni4 O24 -","- K15.0804 Mo36 Na8.916 Ni24 O144 -","6","0.166667","","Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.","Triple molybdates K~3{‒~x}Na~1+x~M~4~(MoO~4~)~6~ (M~= Ni, Mg, Co) and K~3+x~Li~1{‒~x}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010677","","","0.71073","MoKα","","0.0155","0.0141","","","0.0327","0.0331","","","","","","1.162","","","","has coordinates,has Fobs","256762","2020-10-21","18:00:00","" "2108666","14.4528","0.0002","14.4528","0.0002","19.8894","0.0003","90","","90","","120","","3597.96","0.09","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- K3 Mg4 Mo6 Na O24 -","- K3 Mg4 Mo6 Na O24 -","- K18 Mg24 Mo36 Na6 O144 -","6","0.166667","","Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.","Triple molybdates K~3{‒~x}Na~1+x~M~4~(MoO~4~)~6~ (M~= Ni, Mg, Co) and K~3+x~Li~1{‒~x}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010677","","","0.71073","MoKα","","0.0172","0.0151","","","0.0335","0.034","","","","","","1.196","","","","has coordinates,has Fobs","256762","2020-10-21","18:00:00","" "2108667","14.4673","0.0005","14.4673","0.0005","19.9186","0.0009","90","","90","","120","","3610.5","0.2","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- K2.88 Mg4 Mo6 Na1.12 O24 -","- K2.8812 Mg4 Mo6 Na1.1188 O24 -","- K17.2872 Mg24 Mo36 Na6.7128 O144 -","6","0.166667","","Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.","Triple molybdates K~3{‒~x}Na~1+x~M~4~(MoO~4~)~6~ (M~= Ni, Mg, Co) and K~3+x~Li~1{‒~x}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010677","","","0.71073","MoKα","","0.0283","0.0209","","","0.0411","0.0438","","","","","","1.038","","","","has coordinates,has Fobs","256762","2020-10-21","18:00:00","" "2108668","14.4638","0.0001","14.4638","0.0001","19.8369","0.0003","90","","90","","120","","3593.93","0.06","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Co4 K3 Mo6 Na O24 -","- Co4 K3 Mo6 Na O24 -","- Co24 K18 Mo36 Na6 O144 -","6","0.166667","","Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.","Triple molybdates K~3{‒~x}Na~1+x~M~4~(MoO~4~)~6~ (M~= Ni, Mg, Co) and K~3+x~Li~1{‒~x}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010677","","","0.71073","MoKα","","0.0165","0.0148","","","0.0367","0.0372","","","","","","1.136","","","","has coordinates,has Fobs","256762","2020-10-21","18:00:00","" "2108669","14.3541","0.0002","14.3541","0.0002","19.7338","0.0004","90","","90","","120","","3521.22","0.1","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- K3.11 Li0.89 Mg4 Mo6 O24 -","- K3.1126 Li0.888 Mg4 Mo6 O24 -","- K18.6756 Li5.328 Mg24 Mo36 O144 -","6","0.166667","","Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.","Triple molybdates K~3{‒~x}Na~1+x~M~4~(MoO~4~)~6~ (M~= Ni, Mg, Co) and K~3+x~Li~1{‒~x}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010677","","","0.71073","MoKα","","0.0217","0.0182","","","0.0406","0.0417","","","","","","1.061","","","","has coordinates,has Fobs","256762","2020-10-21","18:00:00","" "2108737","8.9756","0.0004","8.9756","0.0004","22.6248","0.001","90","","90","","120","","1578.49","0.12","295","1","295","1","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ag3.05 O12 P3 Sc2 -","- Ag3.0468 O12 P3 Sc2 -","- Ag18.2808 O72 P18 Sc12 -","6","0.166667","","Redhammer, Günther J.; Tippelt, Gerold; Stahl, Quirin; Benisek, Artur; Rettenwander, Daniel","Study on the structural phase transitions in NaSICON-type compounds using Ag~3~Sc~2~(PO~4~)~3~ as a model system","Acta Crystallographica Section B","2021","77","1","10","22","10.1107/S2052520620014870","","x-ray","0.71073","MoKα","","0.0189","0.0179","","","0.0432","0.0441","","","","","","1.114","","","","has coordinates,has Fobs","261794","2021-02-05","14:51:57","" "2108738","8.9671","0.0008","8.9671","0.0008","22.7622","0.0019","90","","90","","120","","1585.1","0.2","520","1","520","1","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ag3.02 O12 P3 Sc2 -","- Ag3.0198 O12 P3 Sc2 -","- Ag18.1188 O72 P18 Sc12 -","6","0.166667","","Redhammer, Günther J.; Tippelt, Gerold; Stahl, Quirin; Benisek, Artur; Rettenwander, Daniel","Study on the structural phase transitions in NaSICON-type compounds using Ag~3~Sc~2~(PO~4~)~3~ as a model system","Acta Crystallographica Section B","2021","77","1","10","22","10.1107/S2052520620014870","","x-ray","0.71073","MoKα","","0.0523","0.0333","","","0.0654","0.0709","","","","","","1.071","","","","has coordinates,has Fobs","261794","2021-02-05","14:51:57","" "2200816","9.3857","0.0009","9.3857","0.0009","56.261","0.009","90","","90","","120","","4292.1","0.9","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- K2 Mo15 S19 -","- K2 Mo15 S19 -","- K12 Mo90 S114 -","6","0.166667","BR6039","Picard, S.; Gougeon, P.; Potel, M.","K~2~Mo~15~S~19~: a novel ternary reduced molybdenum sulfide containing Mo~6~ and Mo~9~ clusters","Acta Crystallographica Section E","2002","58","2","i12","i14","10.1107/S1600536801021651","","","0.71073","MoKα","","0.0285","0.0189","","","0.0361","0.0377","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2201477","6.72","0.001","6.72","0.001","54.33","0.009","90","","90","","120","","2124.8","0.6","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Bis(2-methyl-2-propanammonium) chromate","","- C8 H24 Cr N2 O4 -","- C8 H24 Cr N2 O4 -","- C48 H144 Cr6 N12 O24 -","6","0.166667","DN6036","Chebbi, Hammouda; Driss, Ahmed","Bis(2-methyl-2-propanammonium) chromate","Acta Crystallographica Section E","2002","58","9","m494","m496","10.1107/S1600536802012412","","","0.71073","MoKα","","0.065","0.0363","","","0.0837","0.0905","","","","","","1.371","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2201767","9.6432","0.0004","9.6432","0.0004","11.1112","0.0006","90","","90","","120","","894.82","0.07","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Tristrontium Magnesium Platinum Hexaoxide","","- Mg O6 Pt Sr3 -","- Mg O6 Pt Sr3 -","- Mg6 O36 Pt6 Sr18 -","6","0.166667","BR6088","Smith, Mark D.; zur Loye, Hans-Conrad","Sr~3~MgPtO~6~","Acta Crystallographica Section E","2003","59","5","i75","i76","10.1107/S1600536803005993","","","0.71073","MoKα","","0.028","0.0238","","","0.0481","0.0487","","","","","","1.005","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2202847","16.1201","0.0019","16.1201","0.0019","11.715","0.003","90","","90","","120","","2636.4","0.8","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C15 H21 Co Na O6 -","- C15 H21 Co Na O6 -","- C90 H126 Co6 Na6 O36 -","6","0.166667","OM6156","Li, Xiaobao; Musie, Ghezai; Powell, Douglas R.","Sodium tris(acetylacetonato-κ^2^O,O')cobalt(II)","Acta Crystallographica Section E","2003","59","9","m717","m718","10.1107/S1600536803017318","","","0.71073","MoKα","","0.0675","0.0378","","","0.0918","0.1194","","","","","","1.245","","","","has coordinates","176774","2020-10-21","18:00:00","" "2203173","10.7252","0.0009","10.7252","0.0009","8.9854","0.0008","90","","90","","120","","895.12","0.13","293","0.3","293","0.3","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Scandium Formate","","","- C3 H3 O6 Sc -","- C3 H3 O6 Sc -","- C18 H18 O36 Sc6 -","6","0.166667","CV6256","Ilyukhin, Andrey B.; Petrosyants, Svetlana P.","The rhombohedral polymorph of scandium formate","Acta Crystallographica Section E","2004","60","2","m151","m152","10.1107/S1600536803029738","","","0.71073","MoKα","","0.0317","0.0267","","","0.0745","0.078","","","","","","1.029","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2203318","28.912","0.017","28.912","0.017","19.784","0.017","90","","90","","120","","14322","17","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","Bis(ferrocenyl methyl ketone thiosemicarbazone-κ^2^N,S)zinc tetrahydrofuran hemisolvate","","- C28 H32 Fe2 N6 O0.5 S2 Zn -","- C28 H32 Fe2 N6 O0.5 S2 Zn -","- C504 H576 Fe36 N108 O9 S36 Zn18 -","18","0.5","NA6282","Li, Xun; Cui, Xue-Gui; Liu, Xin-Gang; Li, Xiao-Fang","Bis(ferrocenyl methyl ketone thiosemicarbazone-κ^2^N,S)zinc tetrahydrofuran hemisolvate","Acta Crystallographica Section E","2004","60","3","m307","m308","10.1107/S1600536804000923","","","0.71073","MoKα","","0.1282","0.0572","","","","0.1937","","","","","","0.957","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2208223","18.302","0.003","18.302","0.003","31.099","0.006","90","","90","","120","","9021","3","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Hexakis[μ-9-methyl-3-(1H-tetrazol-5-io)-4H-pyrido[1,2-a]pyrimidin-4- onato(2-)]tricadmium(II)","","- C60 H42 Cd3 N36 O6 -","- C60 H42 Cd3 N36 O6 -","- C360 H252 Cd18 N216 O36 -","6","0.166667","XU6104","Jia-Ming, Li; Guo-Ping Yong; Zhao-Peng Yu; Zhi-Yong Wang","Hexakis[μ-9-methyl-3-(1H-tetrazol-5-io)-4H-pyrido[1,2-a]pyrimidin-4-onato(2‒)]tricadmium(II)","Acta Crystallographica Section E","2006","62","2","m327","m328","10.1107/S1600536806001358","","","0.71073","MoKα","","0.048","0.032","","","0.074","0.079","","","","","","0.985","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2208605","16.047","0.002","16.047","0.002","11.3561","0.0013","90","","90","","120","","2532.5","0.5","250","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","hexaaquairon(III) tris(perchlorate) trihydrate","","- Cl3 Fe H18 O21 -","- Cl3 Fe H18 O21 -","- Cl18 Fe6 H108 O126 -","6","0.166667","HB2019","Andreas Fischer","Hexaaquairon(III) perchlorate trihydrate","Acta Crystallographica Section E","2006","62","4","i94","i95","10.1107/S1600536806008555","","","0.71073","MoKα","","0.055","0.046","","","0.107","0.114","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2209833","16.341","0.0014","16.341","0.0014","88.12","0.06","90","","90","","120","","20378","14","170","2","170","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","diethyl 1H-pyrazole-3,5-dicarboxylate 0.33-hydrate","","- C9 H12.67 N2 O4.33 -","- C9 H12.6667 N2 O4.33333 -","- C648 H912 N144 O312 -","72","2","FB2003","Foces-Foces, Concepción; Rodríguez, Matias L.; Elguero, José","Supramolecular assembly of diethyl 1H-pyrazole-3,5-dicarboxylate 0.33-hydrate","Acta Crystallographica Section E","2006","62","8","o3351","o3353","10.1107/S1600536806025918","","","0.71073","MoKα","","0.2229","0.0856","","","0.1552","0.1983","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2210014","7.5232","0.0008","7.5232","0.0008","19.959","0.003","90","","90","","120","","978.3","0.2","294","3","294","3","","","","","","","","3","R -3 c :H","-R 3 2""c","167","magnesium triiridium heptasilicide","magnesium triiridium heptasilicide","","- Ir3 Mg Si7 -","- Ir3 Mg Si7 -","- Ir18 Mg6 Si42 -","6","0.166667","WM2021","Lorenz, Peter; Jung, Walter","MgIr~3~Si~7~, a new magnesium iridium silicide with the ScRh~3~Si~7~ type structure","Acta Crystallographica Section E","2006","62","8","i173","i175","10.1107/S1600536806025323","","","0.71073","MoKα","","0.0218","0.018","","","0.0434","0.0443","","","","","","1.059","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00","" "2210754","16.105","0.002","16.105","0.002","14.488","0.003","90","","90","","120","","3254.3","0.9","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","Hydronium tris(oxamide dioxime-κ^2^N,N')nickel(II) triiodide","","- C6 H21 I3 N12 Ni O7 -","- C6 H21 I3 N12 Ni O7 -","- C36 H126 I18 N72 Ni6 O42 -","6","0.166667","OM2032","M. Bélombé, Michel; Nenwa, Justin; Kammoe, Astride L.; Poudeu, Pierre F. P.","Hydronium tris(oxamide dioxime-κ^2^N,N')nickel(II) triiodide","Acta Crystallographica Section E","2006","62","10","m2583","m2585","10.1107/S160053680603621X","","","0.71073","MoKα","","0.0317","0.0275","","","0.0544","0.0587","","","","","","1.168","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2211313","15.656","0.002","15.656","0.002","29.144","0.006","90","","90","","120","","6186.4","1.7","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Diaquatetraethanolcobalt(II) sulfate","","- C4 H20 Co O10 S -","- C4 H20 Co O10 S -","- C72 H360 Co18 O180 S18 -","18","0.5","BX2041","Zhu, Li-Na; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Diaquatetramethanolcobalt(II) sulfate","Acta Crystallographica Section E","2006","62","12","m3401","m3403","10.1107/S1600536806048550","","","0.71073","MoKα","","0.0298","0.0261","","","0.0769","0.0787","","","","","","1.077","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00","" "2211649","8.6128","0.0006","8.6128","0.0006","19.897","0.002","90","","90","","120","","1278.22","0.18","293","2","293.15","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","sodium scandium orthoborate","Trisodium discandium trisorthoborate","","- B3 Na3 O9 Sc2 -","- B3 Na3 O9 Sc2 -","- B18 Na18 O54 Sc12 -","6","0.166667","WM2044","Yang Zhang; Ning Ye; Douglas A. Keszler","Na~3~Sc~2~(BO~3~)~3~","Acta Crystallographica Section E","2006","62","12","i266","i268","10.1107/S1600536806036737","","","0.71073","MoKα","","","0.0189","","","","0.0553","","","","","","1.403","","","","has coordinates,has Fobs","201211","2020-10-21","18:00:00","" "2213369","12.664","0.002","12.664","","63.653","0.006","90","","90","","120","","8840.8","1.6","295","2","295","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","Hexaaquahexakis(μ~2~-3,5-diamino-1,2,4-triazole)trinickel(II) trisulfate octadecahydrate","","- C12 H78 N30 Ni3 O36 S3 -","- C12 H78 N30 Ni3 O36 S3 -","- C72 H468 N180 Ni18 O216 S18 -","6","0.166667","HB2392","Zhang, Guo-Fang; Zhao, Shu-Min; She, Jiang-Bo; Ng, Seik Weng","Hexaaquahexakis(μ~2~-3,5-diamino-1,2,4-triazole)trinickel(II) trisulfate octadecahydrate","Acta Crystallographica Section E","2007","63","5","m1517","m1518","10.1107/S160053680702051X","","","0.71073","MoKα","","0.055","0.047","","","0.17","0.18","","","","","","1.33","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00","" "2218529","13.024","0.001","13.024","","64.462","0.005","90","","90","","120","","9469.4","1","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","Hexaaquahexakis(μ~2~-3,5-diamino-4H-1,2,4-triazole)trinickel(II) tris(hexafluoridosilicate) icosahydrate","","- C12 H82 F18 N30 Ni3 O26 Si3 -","- C12 H81.9996 F18 N30 Ni3 O25.9998 Si3 -","- C72 H491.998 F108 N180 Ni18 O155.999 Si18 -","6","0.166667","SI2084","Wu, Li-Ping; Zhao, Shu-Ming; Zhang, Guo-Fang; Ng, Seik Weng","Hexaaquahexakis(μ~2~-3,5-diamino-4H-1,2,4-triazole)trinickel(II) tris(hexafluoridosilicate) icosahydrate","Acta Crystallographica Section E","2008","64","6","m802","","10.1107/S1600536808013329","","","0.71073","MoKα","","0.0381","0.0329","","","0.0992","0.1064","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00","" "2221444","8.9543","0.0009","8.9543","0.0009","21.28","0.004","90","","90","","120","","1477.6","0.3","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Tetrasodium diiron triphosphate","Tetrasodium diiron tris(phosphate)","","- Fe2 Na4 O12 P3 -","- Fe2 Na4 O12 P3 -","- Fe12 Na24 O72 P18 -","6","0.166667","MG2067","Hatert, Frédéric","Na~4~Fe^2+^Fe^3+^(PO~4~)~3~, a new synthetic NASICON-type phosphate","Acta Crystallographica Section E","2009","65","4","i30","","10.1107/S1600536809009210","","","0.71073","MoKα","","0.0534","0.0523","","","0.1246","0.125","","","","","","1.399","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00","" "2225130","21.967","0.003","21.967","0.003","34.411","0.007","90","","90","","120","","14380","4","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","Tris{aquabis[3-(2-pyridyl)-1H-pyrazole]copper(II)} di-μ~9~-arsenato-hexatriaconta-μ~2~-oxido-octadecaoxidooctadecamolybdate(VI)","","- C48 H48 As2 Cu3 Mo18 N18 O65 -","- C48 H48 As2 Cu3 Mo18 N18 O65 -","- C288 H288 As12 Cu18 Mo108 N108 O390 -","6","0.166667","WM2290","Zhang, Xiutang; Wei, Peihai; Shi, Congwen; Li, Bin; Hu, Bo","Tris{aquabis[3-(2-pyridyl)-1H-pyrazole]copper(II)} di-μ~9~-arsenato-hexatriaconta-μ~2~-oxido-octadecaoxidooctadecamolybdate(VI)","Acta Crystallographica Section E","2010","66","2","m174","m175","10.1107/S160053681000156X","","","0.71073","MoKα","","0.0672","0.0459","","","0.1099","0.1232","","","","","","1.004","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00","" "2225132","8.7288","0.0002","8.7288","0.0002","21.8042","0.0007","90","","90","","120","","1438.73","0.07","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","trisodium divanadium(III) tris(orthophosphate)","","- Na3 O12 P3 V2 -","- Na2.998 O12 P3 V2 -","- Na17.988 O72 P18 V12 -","6","0.166667","WM2293","Zatovsky, Igor V.","NASICON-type Na~3~V~2~(PO~4~)~3~","Acta Crystallographica Section E","2010","66","2","i12","","10.1107/S1600536810002801","","","0.71073","MoKα","","0.0402","0.0316","","","","0.0752","","","","","","1.1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00","" "2225366","17.89","0.003","17.89","0.003","23.6","0.006","90","","90","","120","","6541","2","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","Tris(piperazinediium) phosphatododecamolybdo(V,VI)phosphate","","- C12 H36 Mo12 N6 O40 P -","- C12 H36 Mo12 N6 O40 P -","- C72 H216 Mo72 N36 O240 P6 -","6","0.166667","SI2235","Lu, Yu-kun; Xu, Ji-qing; Yu, Hai-hui","Tris(piperazinediium) phosphatododecamolybo(V,VI)phosphate","Acta Crystallographica Section E","2010","66","3","m263","m264","10.1107/S1600536810002473","","","0.71073","MoKα","","0.0207","0.0199","","","0.0524","0.0528","","","","","","1.144","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00","" "2228079","13.7166","0.001","13.7166","0.001","35.332","0.003","90","","90","","120","","5756.9","0.8","223","2","223","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","Hexakis(N,N'-dimethylthiourea-κS)nickel(II) dinitrate","","- C18 H48 N14 Ni O6 S6 -","- C18 H48 N14 Ni O6 S6 -","- C108 H288 N84 Ni6 O36 S36 -","6","0.166667","WM2412","Asif, Iram; Mahmood, Rashid; Stoeckli-Evans, Helen; Mateen, Muhammad; Ahmad, Saeed","Hexakis(N,N'-dimethylthiourea-κS)nickel(II) nitrate","Acta Crystallographica Section E","2010","66","11","m1393","m1394","10.1107/S1600536810040031","","","0.71073","MoKα","","0.0517","0.029","","","0.0521","0.0564","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00","" "2228386","8.5121","0.0004","8.5121","","23.0022","0.0009","90","","90","","120","","1443.36","0.09","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Poly[dimethylammonium [tris(μ~2~-formato-κ^2^O:O')cadmate(II)]]","","- C5 H11 Cd N O6 -","- C5.004 H11.016 Cd N1.002 O6 -","- C30.024 H66.096 Cd6 N6.012 O36 -","6","0.166667","HG2747","Gao, Shan; Ng, Seik Weng","Poly[dimethylammonium [tris(μ~2~-formato-κ^2^O:O')cadmate(II)]]","Acta Crystallographica Section E","2010","66","12","m1599","","10.1107/S1600536810046830","","","0.71073","MoKα","","0.0222","0.0217","","","0.0542","0.0547","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00","" "2229370","8.5679","0.0006","8.5679","0.0006","21.898","0.002","90","","90","","120","","1392.14","0.19","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","aluminium(III) triniobium(V) phosphate(V)","","- Al0.5 Nb1.5 O12 P3 -","- Al0.5 Nb1.5 O12 P3 -","- Al3 Nb9 O72 P18 -","6","0.166667","FJ2384","Zhao, Dan; Liang, Peng; Su, Ling; Chang, Huan; Yan, Shi","Al~0.5~Nb~1.5~(PO~4~)~3~","Acta Crystallographica Section E","2011","67","3","i23","","10.1107/S1600536811003886","","","0.71073","MoKα","","0.0275","0.0269","","","0.0637","0.0638","","","","","","1.393","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00","" "2232489","20.8852","0.0012","20.8852","0.0012","37.62","0.004","90","","90","","120","","14211.1","1.9","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","Dichloridobis[3-methoxymethyl-4-phenyl-5-(2-pyridyl)-4H-1,2,4- triazole-κ^2^N^1^,N^5^]chromium(III) chloride","","- C30 H28 Cl3 Cr N8 O2 -","- C30 H28 Cl2.99933 Cr N8 O2 -","- C540 H504 Cl53.988 Cr18 N144 O36 -","18","0.5","WM2515","Jin, Xiaofei; Wang, Zuoxiang; Cao, Shouping","Dichloridobis[3-methoxymethyl-4-phenyl-5-(2-pyridyl)-4H-1,2,4-triazole-κ^2^N^1^,N^5^]chromium(III) chloride","Acta Crystallographica Section E","2011","67","11","m1492","","10.1107/S1600536811039328","","","0.71073","MoKα","","0.0512","0.0389","","","0.1132","0.1194","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00","" "2232681","17.9719","0.0014","17.9719","0.0014","29.335","0.005","90","","90","","120","","8205.5","1.7","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","μ~3~-Dodecatungsto(V,VI)aluminato- κ^3^O:O':O''-tris[aquabis(ethylenediamine- κ^2^N,N')copper(II)]","","- C12 H54 Al Cu3 N12 O43 W12 -","- C12 H54 Al Cu3 N12 O43 W12 -","- C72 H324 Al6 Cu18 N72 O258 W72 -","6","0.166667","GK2416","Lu, Yu-Kun; Qu, Yuan-Yuan; Tian, Ming-Ming; Diao, Cheng-Lin; Liu, Yun-Qi","μ~3~-Dodecatungsto(V,VI)aluminato-κ^3^O:O':O''-tris[aquabis(ethylenediamine-κ^2^N,N')copper(II)]","Acta Crystallographica Section E","2011","67","12","m1778","m1779","10.1107/S1600536811048288","","","0.71073","MoKα","","0.0478","0.0348","","","0.0663","0.0706","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00","" "2234032","18.7481","0.0005","18.7481","0.0005","52.4233","0.0012","90","","90","","120","","15957.7","0.7","150","0.2","150","0.2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","Tris(tetrabutylammonium) hexakis(tert-butanethiolato-κS)hepta-μ~3~- chlorido-μ~3~-sulfido-hexamolybdate dihydrate","","- C72 H166 Cl7 Mo6 N3 O2 S7 -","- C72 H162 Cl7 Mo6 N3 O2 S7 -","- C432 H972 Cl42 Mo36 N18 O12 S42 -","6","0.166667","WM2589","Petrov, Pavel A.; Naumov, Dmitry Yu.; Konchenko, Sergey N.","Tris(tetrabutylammonium) hexakis(tert-butanethiolato-κS)hepta-μ~3~-chlorido-μ~3~-sulfido-hexamolybdate dihydrate","Acta Crystallographica Section E","2012","68","3","m333","m334","10.1107/S1600536812007416","","","0.71073","MoKα","","0.0486","0.0383","","","0.117","0.1246","","","","","","1.136","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00","" "2235669","8.8694","0.0002","8.8694","0.0002","21.6074","0.0007","90","","90","","120","","1472.05","0.07","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","[iron(III)/manganese(II)] tris(orthophosphate)","","- Fe1.6 Mn0.4 Na3.4 O12 P3 -","- Fe1.5982 Mn0.4018 Na3.407 O12 P3 -","- Fe9.5892 Mn2.4108 Na20.442 O72 P18 -","6","0.166667","WM2642","Yatskin, Michael M.; Strutynska, Nataliya Yu.; Baumer, Vyacheslav N.; Ogorodnyk, Ivan V.; Slobodyanik, Nikolay S.","NASICON-related Na~3.4~Mn~0.4~Fe~1.6~(PO~4~)~3~","Acta Crystallographica Section E","2012","68","7","i55","","10.1107/S1600536812027584","","","0.71073","MoKα","","0.0333","0.0279","","","","0.0717","","","","","","1.229","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2236324","15.68","0.007","15.68","0.007","33.848","0.006","90","","90","","120","","7207","5","298","2","298","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","Bis(chlorido)(dimethylsulfoxide-κO)barium(II)","","- C2 H6 Ba Cl2 O S -","- C2 H6 Ba Cl2 O S -","- C72 H216 Ba36 Cl72 O36 S36 -","36","1","HG5254","Gschwind, Fabienne; Jansen, Martin","Bis(chlorido)(dimethylsulfoxide-κO)barium(II)","Acta Crystallographica Section E","2012","68","11","m1319","","10.1107/S160053681204069X","","","0.71073","MoKα","","0.0235","0.0229","","","0.0568","0.0572","","","","","","1.248","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00","" "2238203","11.634","0.002","11.634","0.002","84.945","0.015","90","","90","","120","","9957","3","93","2","93","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)sodium iodide‒1,1,2,2,tetrafluoro-1,2-diiodoethane (2/3)","","- C21 H36 F6 I4 N2 Na O6 -","- C21 H36 F6 I4 N2 Na O6 -","- C252 H432 F72 I48 N24 Na12 O72 -","12","0.333333","KJ2225","Cavallo, Gabriella; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Ursini, Maurizio; Terraneo, Giancarlo","(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)sodium iodide‒1,1,2,2,tetrafluoro-1,2-diiodoethane (2/3)","Acta Crystallographica Section E","2013","69","7","m387","m388","10.1107/S1600536813016085","","","0.71073","MoKα","","0.0377","0.0316","","","0.0744","0.0764","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00","" "2240189","16.193","0.0015","16.193","0.0015","11.2421","0.0011","90","","90","","120","","2552.9","0.4","100","","100","","","","","","","","Synthetic","4","R -3 c :H","-R 3 2""c","167","ferric perchlorate nonahydrate","Iron(III) perchlorate nonahydrate","","- Cl3 Fe H18 O21 -","- Cl3 Fe H18 O21 -","- Cl18 Fe6 H108 O126 -","6","0.166667","PK2533","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structure of iron(III) perchlorate nonahydrate","Acta Crystallographica Section E","2014","70","12","477","479","10.1107/S1600536814024295","","","0.71073","MoKα","","0.0423","0.0414","","","0.091","0.0916","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","282068","2023-03-26","10:12:40","" "2300283","5.3325","0.0001","5.3325","0.0001","13.2321","0.0004","90","","90","","120","","325.853","0.013","","","298","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Titanium oxydifluoride","","- F2 O Ti -","- F2 O0.999999 Ti -","- F12 O5.99999 Ti6 -","6","0.166667","CE5082","Shian, Samuel; Sandhage, Kenneth H.","Hexagonal and cubic TiOF~2~","Journal of Applied Crystallography","2010","43","4","757","761","10.1107/S0021889810016730","powder diffraction","","1.5406","CuKα~1~","","","9.7","","","","12.64","","","","","","1.64","","","","has coordinates","176435","2020-10-21","18:00:00","" "2300375","4.76029","0.00034","4.76029","","12.992","0.0011","90","","90","","120","","254.96","0.03","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","KS5332","Wood, Ian G.; Ahmed, Jabraan; Dobson, David P.; Vočadlo, Lidunka","High-pressure phase transitions and equations of state in NiSi. III. A new high-pressure phase of NiSi","Journal of Applied Crystallography","2013","46","1","14","24","10.1107/S0021889812047085","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00","" "2300379","4.9153","","4.9153","","16.212","","90","","90","","120","","339.209","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Lu B O3","","- B Lu O3 -","- B Lu O3 -","- B6 Lu6 O18 -","6","0.166667","","Bernstein, J.L.; Keve, E.T.; Abrahams, S.C.","Application of Normal Probability Plot Analysis to Lutetium Orthoborate Structure Factors and Parameters","Journal of Applied Crystallography","1971","4","","284","290","10.1107/S0021889871006988","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2300448","4.758152","0.000042","4.758152","0.000042","12.9897","0.00018","90","","90","","120","","254.687","0.005","298","","298","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","aluminium oxide","corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","TO5064","Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc","Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods","Journal of Applied Crystallography","2014","47","2","659","667","10.1107/S1600576714003379","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.018","0.095","","","","","","","has coordinates,has Fobs","201211","2020-10-21","18:00:00","" "2300735","4.99945","0.0002","4.99945","","13.50095","0.00028","90","","90","","120","","292.24","0.013","773","","773","","","","101","","","","Heat treatment of GaOOH","2","R -3 c :H","-R 3 2""c","167","Gallium oxide","","","- Ga2 O3 -","- Ga2 O3 -","- Ga12 O18 -","6","0.166667","","Ding, Ning; Shi, Honglong; Zhang, Zeqian; Luo, Minting; Hu, Zhenfei","Dehydroxylation and structural transition in α-GaOOH investigated by in situ X-ray diffraction","Journal of Applied Crystallography","2024","57","2","","","10.1107/S1600576724000050","powder diffraction","x-ray","1.5406","CuKα~1,2~","","","","","","0.06843","","0.06553","","2.616","","","","","","","has coordinates","289800","2024-02-13","03:08:31","" "2310091","7.235","","7.235","","39.192","","90","","90","","120","","1776.66","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(Ba O) (B2 O3)","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","0.5","","Perloff, A.; Block, S.; Mighell, A.D.","The crystal structure of the high temperature form of barium borate, Ba O (B2 O3)","Acta Crystallographica (1,1948-23,1967)","1966","20","","819","823","10.1107/S0365110X66001920","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2310093","4.573","","4.573","","14.23","","90","","90","","120","","257.714","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Cr (B O3)","","- B Cr O3 -","- B Cr O3 -","- B6 Cr6 O18 -","6","0.166667","","Schmid, H.","X-ray evidence for Cr B O3, V B O3 and Ti B O3 with calcite structure","Acta Crystallographica (1,1948-23,1967)","1964","17","","1080","1081","10.1107/S0365110X64002778","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2310095","4.573","","4.573","","14.32","","90","","90","","120","","259.344","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","V (B O3)","","- B O3 V -","- B O3 V -","- B6 O18 V6 -","6","0.166667","","Schmid, H.","X-ray evidence for CrBO3, VBO3 and TiBO3 with calcite structure","Acta Crystallographica (1,1948-23,1967)","1964","17","","1080","1081","10.1107/S0365110X64002778","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2310364","5.075","","5.075","","17.07","","90","","90","","120","","380.747","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Na (N O3)","","- N Na O3 -","- N Na O3 -","- N6 Na6 O18 -","6","0.166667","","Cherin, P.; Hamilton, W.C.; Post, B.","Position and thermal parameters of oxygen atoms in sodium nitrate","Acta Crystallographica (1,1948-23,1967)","1967","23","","455","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310543","4.991","","4.991","","16.9719","","90","","90","","120","","366.131","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Ca (C O3)","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Chessin, H.; Post, B.; Hamilton, W.C.","Position and termal parameters of oxygen atoms in calcite","Acta Crystallographica (1,1948-23,1967)","1965","18","","689","693","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310937","9.74","","9.74","","11.9","","90","","90","","120","","977.677","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Sr4 Pt O6","","- O6 Pt Sr4 -","- O6 Pt Sr4 -","- O36 Pt6 Sr24 -","6","0.166667","","Randall, J.J.; Katz, L.","The crystal structure of Sr4 Pt O6 and two related compounds","Acta Crystallographica (1,1948-23,1967)","1959","12","","519","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2311341","20.3469","0.0003","20.3469","0.0003","50.3074","0.0011","90","","90","","120","","18036.8","0.5","153","2","153","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Tris(3-phenyl-N,N'-dicyclohexylpropynamidinato-κ^2^N,N')ytterbium(III)","","- C63 H81 N6 Yb -","- C63 H81 N6 Yb -","- C756 H972 N72 Yb12 -","12","0.333333","","Wang, Sida; Sroor, Farid M.; Liebing, Phil; Lorenz, Volker; Hilfert, Liane; Edelmann, Frank T.","Crystal structures of two ytterbium(III) complexes comprising alkynylamidinate ligands.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 9","1229","1233","10.1107/S2056989016012135","","","0.71073","MoKα","","0.0404","0.0289","","","0.0663","0.0712","","","","","","1.067","","","","has coordinates,has disorder","245808","2020-10-21","18:00:00","" "2311446","8.512","0.001","8.512","0.001","56.434","0.011","90","","90","","120","","3541.1","0.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","rubidium indium bis(hydrogen arsenate)","Rubidium indium bis[hydrogen arsenate(V)]","","- As2 H2 In O8 Rb -","- As2 H2 In O8 Rb0.999733 -","- As36 H36 In18 O144 Rb17.9952 -","18","0.5","","Schwendtner, Karolina; Kolitsch, Uwe","MIn(HAsO4)2 (M = K, Rb, Cs): three new hydrogen-arsenates adopting two different structure types.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1580","1586","10.1107/S205698901701355X","","","0.71073","MoKα","","0.0251","0.0184","","","0.039","0.041","","","","","","1.116","","","","has coordinates","245891","2020-10-21","18:00:00","" "2311447","8.629","0.001","8.629","0.001","56.986","0.011","90","","90","","120","","3674.7","0.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","caesium indium bis(hydrogen arsenate)","Caesium indium bis[hydrogen arsenate(V)]","","- As2 Cs H2 In O8 -","- As2 Cs H2 In O8 -","- As36 Cs18 H36 In18 O144 -","18","0.5","","Schwendtner, Karolina; Kolitsch, Uwe","MIn(HAsO4)2 (M = K, Rb, Cs): three new hydrogen-arsenates adopting two different structure types.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1580","1586","10.1107/S205698901701355X","","","0.71073","MoKα","","0.0299","0.0217","","","0.0488","0.052","","","","","","1.073","","","","has coordinates","245891","2020-10-21","18:00:00","" "2311565","9.217","0.002","9.217","0.002","22.646","0.002","90","","90","","120","","1666.1","0.5","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Sodium chromium/aluminium molybdenum/aluminium dodecaoxide","","- Al1.762 Cr0.476 Mo2.763 Na0.72 O12 -","- Al1.762 Cr0.476 Mo2.763 Na0.724 O12 -","- Al10.572 Cr2.856 Mo16.578 Na4.344 O72 -","6","0.166667","VN2134","Sonni, Manel; Jendoubi, Imen; Zid, Mohamed Faouzi","Elaboration, structural study and validation of a new NASICON-type structure, Na0.72(Cr0.48,Al1.52)(Mo2.77,Al0.23)O12.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 3","406","409","10.1107/S2056989018003031","","","0.71073","MoKα","","0.0135","0.0127","","","0.0236","0.0239","","","","","","1.254","","","","has coordinates","245987","2020-10-21","18:00:00","" "2311742","5.0083","0.0001","5.0083","0.0001","33.3987","0.0008","90","","90","","120","","725.51","0.03","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0178","0.0099","","","0.0199","0.0209","","","","","","1.012","","","","has coordinates","246100","2020-10-21","18:00:00","" "2311743","5.0084","0.0002","5.0084","0.0002","33.3941","0.0015","90","","90","","120","","725.43","0.05","150","2","150","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0205","0.0095","","","0.0185","0.0196","","","","","","1.019","","","","has coordinates","246100","2020-10-21","18:00:00","" "2311744","5.0113","0.0001","5.0113","0.0001","33.5158","0.001","90","","90","","120","","728.92","0.03","200","2","200","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0199","0.0101","","","0.0192","0.0204","","","","","","0.954","","","","has coordinates","246100","2020-10-21","18:00:00","" "2311745","5.0135","0.0001","5.0135","0.0001","33.4784","0.0009","90","","90","","120","","728.75","0.03","250","2","250","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0215","0.0096","","","0.0193","0.0207","","","","","","0.947","","","","has coordinates","246100","2020-10-21","18:00:00","" "2311746","5.0161","0.0001","5.0161","0.0001","33.4952","0.0008","90","","90","","120","","729.87","0.03","280","2","280","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0199","0.01","","","0.021","0.0225","","","","","","1.026","","","","has coordinates","246100","2020-10-21","18:00:00","" "2311747","5.016","0.0001","5.016","0.0001","33.517","0.0013","90","","90","","120","","730.32","0.04","299","2","299","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0213","0.01","","","0.0209","0.0226","","","","","","0.953","","","","has coordinates","246100","2020-10-21","18:00:00","" "2311748","5.018","0.0001","5.018","0.0001","33.5012","0.0008","90","","90","","120","","730.55","0.03","320","2","320","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0231","0.0099","","","0.0208","0.0227","","","","","","0.968","","","","has coordinates","246100","2020-10-21","18:00:00","" "2311749","5.0183","0.0001","5.0183","0.0001","33.5074","0.0008","90","","90","","120","","730.78","0.03","330","2","330","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0232","0.0105","","","0.0219","0.024","","","","","","1.007","","","","has coordinates","246100","2020-10-21","18:00:00","" "2311750","5.0187","0.0001","5.0187","0.0001","33.5273","0.0009","90","","90","","120","","731.33","0.03","340","2","340","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0241","0.0109","","","0.0224","0.0246","","","","","","0.98","","","","has coordinates","246100","2020-10-21","18:00:00","" "2311751","5.0198","0.0001","5.0198","0.0001","33.5169","0.0009","90","","90","","120","","731.42","0.03","350","2","350","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0244","0.0102","","","0.0212","0.0237","","","","","","1.01","","","","has coordinates","246100","2020-10-21","18:00:00","" "2311752","5.0206","0.0001","5.0206","0.0001","33.5307","0.0014","90","","90","","120","","731.96","0.04","360","2","360","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C6 Ba3 Mg3 O18 -","- C6 Ba3 Mg3 O18 -","- C12 Ba6 Mg6 O36 -","2","0.0555556","","Ende, Martin; Effenberger, Herta; Miletich, Ronald","Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","827","835","10.1107/S2052520617009295","","","0.71073","MoKα","","0.0288","0.0116","","","0.0247","0.028","","","","","","0.99","","","","has coordinates","246100","2020-10-21","18:00:00","" "2312115","25.7341","0.0003","25.7341","0.0003","124.079","0.004","90","","90","","120","","71162","3","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","Triacontakis[(4-carboxylatophenyl)sulfanido]dodecagolddotriacontasilver","","- C210 H150 Ag32 Au12 O60 S30 -","- C210 H150 Ag32 Au12 O60 S30 -","- C1260 H900 Ag192 Au72 O360 S180 -","6","0.166667","WM5444","Conn, Brian E.; Bhattarai, Badri; Atnagulov, Aydar; Yoon, Bokwon; Landman, Uzi; Bigioni, Terry P.","M4Au12Ag32(p-MBA)30 (M = Na, Cs) bimetallic monolayer-protected clusters: synthesis and structure.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","987","993","10.1107/S2056989018008393","","","1.54178","CuKα","","0.0464","0.0398","","","0.1326","0.1393","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","284000","2023-05-25","02:05:48","" "3000106","7.242","0.006","7.242","0.006","39.25","0.002","90","","90","","120","","1783","2","673","","673","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B2 Ba O4 -","- B0.666667 Ba0.333333 O1.33333 -","- B36 Ba18 O72 -","54","1.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","265307","2021-05-18","16:36:58","" "3000107","7.227","0.006","7.227","0.006","39.031","0.002","90","","90","","120","","1765","2","298","","298","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B2 Ba O4 -","- B0.666667 Ba0.333333 O1.33333 -","- B36 Ba18 O72 -","54","1.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","265307","2021-05-18","16:36:58","" "3000291","8.2927","0.0003","8.2927","0.0003","21.4139","0.0012","90","","90","","120","","1275.32","0.1","295","","295","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Al0.804 Ge1.196 Na1.72 O12 P3 -","- Al0.804 Ge1.196 Na1.723 O11.9998 P2.99994 -","- Al4.824 Ge7.176 Na10.338 O71.9986 P17.9996 -","6","0.166667","","Gammond, Lawrence V. D.; Auer, Henry; Mendes Da Silva, Rita; Zeidler, Anita; Ortiz-Mosquera, Jairo F.; Nieto-Muñoz, Adriana M.; Rodrigues, Ana Candida M.; dAnciães Almeida Silva, Igor; Eckert, Hellmut; Benmore, Chris J.; Salmon, Philip S.","Structure of crystalline and amorphous materials in the NASICON system Na1+xAlxGe2−x(PO4)3","The Journal of Chemical Physics","2021","155","7","074501","","10.1063/5.0049399","powder diffraction","","1.7982","neutron","","","","","","","","","5.6265","1.6","","","","","","","has coordinates","268136","2021-08-19","12:58:25","" "3000371","5.5098","","5.5098","","13.3625","","90","","90","","120","","351.31","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","","Lanthanum strontium manganese(III) manganese(IV) gallium oxide","","","- Ga0.1 La0.7 Mn0.9 O3 Sr0.3 -","","","","","","Hiroki Sawaguri; Nobuyuki Gokon; Kosuke Hayashi; Yoshikazu Iwamura; Daichi Yasuhara","","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","274769","2022-05-01","03:29:39","2022-09-27" "3000372","5.5044","","5.5044","","13.3483","","90","","90","","120","","350.249","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","","Lanthanum strontium manganese cobalt oxide (0.7/0.3/0.9/0.1/3)","","","- Co0.1 La0.7 Mn0.9 O3 Sr0.3 -","","","","","","Hiroki Sawaguri; Nobuyuki Gokon; Kosuke Hayashi; Yoshikazu Iwamura; Daichi Yasuhara","","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","274774","2022-05-01","12:31:45","2022-09-28" "3000373","5.4784","","5.4784","","13.4848","","90","","90","","120","","350.496","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","","Lanthanum strontium manganese aluminium oxide(0.7/0.3/0.9/0.1/3)","","","- Al0.1 La0.7 Mn0.9 O3 Sr0.3 -","","","","","","Hiroki Sawaguri; Nobuyuki Gokon; Kosuke Hayashi; Yoshikazu Iwamura; Daichi Yasuhara","","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","274773","2022-05-01","12:12:56","2022-09-28" "3000374","5.4976","","5.4976","","13.3374","","90","","90","","120","","349.099","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","","Lanthanum strontium manganese nickel oxide (0.7/0.3/0.9/0.1/3)","","","- La0.7 Mn0.9 Ni0.1 O3 Sr0.3 -","","","","","","Hiroki Sawaguri; Nobuyuki Gokon; Kosuke Hayashi; Yoshikazu Iwamura; Daichi Yasuhara","","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","274772","2022-05-01","10:51:39","2022-09-28" "3000385","5.4784","","5.4784","","13.4848","","90","","90","","120","","350.496","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","","Lanthanum strontium alumomanganate(III,IV) (refined)","","","- Al0.1 La0.7 Mn0.9 O3 Sr0.3 -","","","","","","Hiroki Sawaguri; Nobuyuki Gokon; Kosuke Hayashi; Yoshikazu Iwamura; Daichi Yasuhara","","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","274768","2022-05-01","02:50:58","2022-10-01" "3000386","5.4997","","5.4997","","13.3453","","90","","90","","120","","349.572","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","","Lanthanum strontium manganese magnesium oxide (0.7/0.3/0.9/0.1/3)","","","- La0.7 Mg0.1 Mn0.9 O3 Sr0.3 -","","","","","","Hiroki Sawaguri; Nobuyuki Gokon; Kosuke Hayashi; Yoshikazu Iwamura; Daichi Yasuhara","","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","274775","2022-05-01","12:38:31","2022-10-01" "3000387","5.5141","","5.5141","","13.3705","","90","","90","","120","","352.069","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","","Lanthanum strontium manganese iron oxide (0.7/0.3/0.9/0.1/3)","","","- Fe0.1 La0.7 Mn0.9 O3 Sr0.3 -","","","","","","Hiroki Sawaguri; Nobuyuki Gokon; Kosuke Hayashi; Yoshikazu Iwamura; Daichi Yasuhara","","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","274776","2022-05-01","12:48:16","2022-10-01" "3000388","5.5028","","5.5028","","13.3429","","90","","90","","120","","349.904","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","","Lanthanum strontium manganese copper oxide (0.7/0.3/0.9/0.1/3)","","","- Cu0.1 La0.7 Mn0.9 O3 Sr0.3 -","","","","","","Hiroki Sawaguri; Nobuyuki Gokon; Kosuke Hayashi; Yoshikazu Iwamura; Daichi Yasuhara","","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","274777","2022-05-01","13:54:15","2022-10-01" "3000389","5.5073","","5.5073","","13.3559","","90","","90","","120","","350.818","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","","Lanthanum strontium manganese chromium oxide (0.7/0.3/0.9/0.1/3)","","","- Cr0.1 La0.7 Mn0.9 O3 Sr0.3 -","","","","","","Hiroki Sawaguri; Nobuyuki Gokon; Kosuke Hayashi; Yoshikazu Iwamura; Daichi Yasuhara","","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","274778","2022-05-01","14:16:46","2022-10-01" "3000445","10.3608","0.0002","10.3608","0.0002","37.1316","0.0008","90","","90","","120","","3451.92","0.12","293","","293","","","","","","","","","5","R -3 c :H","-R 3 2""c","","","","","- Ca8 Cu Dy O28 P7 -","","","","","","Nikiforov, Ivan V.; Iliina, Ekaterina V.; Lazoryak, Bogdan I.; Aksenov, Sergey M.; Deyneko, Dina V.","?","To be published in The Journal of Rare Earths","","","","","","","","x-ray","1.54051","X-rayCuKα","","","","","","","","","","","","","","","","","","284433","2023-06-11","11:22:09","2023-11-11" "3000446","10.354","0.0004","10.354","0.0004","37.1028","0.0019","90","","90","","120","","3444.7","0.3","293","","293","","","","","","","","","5","R -3 c :H","-R 3 2""c","","","","","- Ca8 Cu Er O28 P7 -","","","","","","Nikiforov, Ivan V.; Iliina, Ekaterina V.; Lazoryak, Bogdan I.; Aksenov, Sergey M.; Deyneko, Dina V.","?","To be published in The Journal of Rare Earths","","","","","","","","x-ray","1.54051","X-rayCuKα","","0.1182","0.116","","0.1663","0.1662","","","","6.33","","","","","","","","284434","2023-06-11","11:27:19","2023-11-11" "3000447","10.3496","0.0005","10.3496","0.0005","37.091","0.002","90","","90","","120","","3440.7","0.3","293","","293","","","","","","","","","5","R -3 c :H","-R 3 2""c","","","","","- Ca8 Cu Eu O28 P7 -","","","","","","Nikiforov, Ivan V.; Iliina, Ekaterina V.; Lazoryak, Bogdan I.; Aksenov, Sergey M.; Deyneko, Dina V.","?","To be published in The Journal of Rare Earths","","","","","","","","x-ray","1.54051","X-rayCuKα","","0.1163","0.115","","0.1289","0.1288","","","","5.72","","","","","","","","284435","2023-06-11","11:29:28","2023-11-11" "3000448","10.3449","0.0004","10.3449","0.0004","37.0818","0.0017","90","","90","","120","","3436.7","0.2","293","","293","","","","","","","","","5","R -3 c :H","-R 3 2""c","","","","","- Ca8 Cu Ho O28 P7 -","","","","","","Nikiforov, Ivan V.; Iliina, Ekaterina V.; Lazoryak, Bogdan I.; Aksenov, Sergey M.; Deyneko, Dina V.","?","To be published in The Journal of Rare Earths","","","","","","","","x-ray","1.54051","X-rayCuKα","","0.0863","0.0856","","0.109","0.1088","","","","5.96","","","","","","","","284436","2023-06-11","11:30:57","2023-11-11" "3000449","10.36","0.0004","10.36","0.0004","37.1329","0.0016","90","","90","","120","","3451.5","0.2","293","","293","","","","","","","","","5","R -3 c :H","-R 3 2""c","","","","","- Ca8 Cu O28 P7 Tb -","","","","","","Nikiforov, Ivan V.; Iliina, Ekaterina V.; Lazoryak, Bogdan I.; Aksenov, Sergey M.; Deyneko, Dina V.","?","To be published in The Journal of Rare Earths","","","","","","","","x-ray","1.54051","X-rayCuKα","","0.1132","0.1093","","0.1255","0.1252","","","","4.53","","","","","","","","284437","2023-06-11","11:33:04","2023-11-11" "3500087","12.0127","0.0002","12.0127","0.0002","35.1627","0.0008","90","","90","","120","","4394.34","0.14","150","","150","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Tetraethylammonium Bromide","","","- C8 H20 Br N -","- C8 H20 Br N -","- C144 H360 Br18 N18 -","18","0.5","","Thierry Maris","Tetraethylammonium Bromide","Personal communication to COD","2019","","","","","","","","1.54178","CuKα","","0.0274","0.0262","","","0.0728","0.0743","","","","","","1.089","","","","has coordinates,has Fobs","245325","2020-10-21","18:00:00","" "3500118","5.7987","","5.7987","","64.7643","","90","","90","","120","","1885.94","","293","","293","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Al2 Ca2 O10.5 -","- Al2 Ca2 O10.5 -","- Al12 Ca12 O63 -","6","0.166667","","Joachim Angelkort; Natalie Froese; Marcel Mix","","Personal communication to COD","2021","","","","","","","","1.54187","X-ray","","","","","","","","","","","","","","","","","has coordinates","266737","2021-06-28","11:20:52","" "4000262","8.854896","0.000026","8.854897","","22.14417","0.00012","90","","90","","120","","1503.69","0.01","423","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","lithium dizirconium triphosphate","","- Li O12 P3 Zr2 -","- Li0.9999 O12 P3 Zr2 -","- Li5.9994 O72 P18 Zr12 -","6","0.166667","","Catti, M.; Comotti, A.; Di Blas, S.","High-Temperature Lithium Mobility in alpha-LiZr~2~(PO~4)~3 NASICON by Neutron Diffraction","Chemistry of Materials","2003","","","","","","powder diffraction","","","","","","","","","","","","","2.9","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "4000263","8.844483","0.000027","8.844483","","22.28754","0.00013","90","","90","","120","","1509.86","0.008","673","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","lithium dizirconium triphosphate","","- Li O12 P3 Zr2 -","- Li0.99993 O12 P3 Zr2 -","- Li5.99958 O72 P18 Zr12 -","6","0.166667","","","","Chemistry of Materials","2003","","","","","","powder diffraction","","","","","","","","","","","","","1.7","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "4000388","21.7158","0.0009","21.7158","0.0009","12.4479","0.0007","90","","90","","120","","5083.7","0.4","294","2","294","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- In Na5 O12 Si4 -","- In Na4.99667 O12 Si4 -","- In18 Na89.94 O216 Si72 -","18","0.5","","","","Chemistry of Materials","2004","","","","","","","","0.71073","MoKα","","0.0461","0.0446","","","0.0837","0.0841","","","","","","1.537","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000685","16.012","0.002","16.012","0.002","12.447","0.002","90","","90","","120","","2763.7","0.7","293","","293","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C10 H26 N6 S3 -","- C10 H12 N6 S3 -","- C60 H72 N36 S18 -","6","0.166667","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0827","","","","0.1078","","","","","","0.8824","","","","has coordinates","176467","2020-10-21","18:00:00","" "4000687","16.225","0.002","16.225","0.002","12.488","0.004","90","","90","","120","","2847","1","293","","293","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C11 H28 N6 S3 -","- C11 H12 N6 S3 -","- C66 H72 N36 S18 -","6","0.166667","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0922","","","","0.1091","","","","","","0.9657","","","","has coordinates","176467","2020-10-21","18:00:00","" "4001153","5.486","","5.486","","13.4539","","90","","90","","120","","350.663","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ce0.445 O3 Sr0.352 Ti -","- Ce0.448 O3 Sr0.352 Ti -","- Ce2.688 O18 Sr2.112 Ti6 -","6","0.166667","","Ubic, Rick; Subodh, Ganesanpotti; Sebastian, Mailadil T.; Gout, Delphine; Proffen, Thomas","Structure of Compounds in the Sr1‒3x/2CexTiO3Homologous Series","Chemistry of Materials","2008","20","9","3127","","10.1021/cm703659f","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "4001154","5.5005","","5.5005","","13.4797","","90","","90","","120","","353.196","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ce0.269 O3 Sr0.601 Ti -","- Ce0.269 O3 Sr0.601 Ti -","- Ce1.614 O18 Sr3.606 Ti6 -","6","0.166667","","Ubic, Rick; Subodh, Ganesanpotti; Sebastian, Mailadil T.; Gout, Delphine; Proffen, Thomas","Structure of Compounds in the Sr1‒3x/2CexTiO3Homologous Series","Chemistry of Materials","2008","20","9","3127","","10.1021/cm703659f","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "4001155","5.5062","","5.5062","","13.4989","","90","","90","","120","","354.432","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ce0.167 O3 Sr0.744 Ti -","- Ce0.167 O3 Sr0.744 Ti -","- Ce1.002 O18 Sr4.464 Ti6 -","6","0.166667","","Ubic, Rick; Subodh, Ganesanpotti; Sebastian, Mailadil T.; Gout, Delphine; Proffen, Thomas","Structure of Compounds in the Sr1‒3x/2CexTiO3Homologous Series","Chemistry of Materials","2008","20","9","3127","","10.1021/cm703659f","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "4001156","5.5091","","5.5091","","13.5071","","90","","90","","120","","355.021","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ce0.133 O3 Sr0.795 Ti -","- Ce0.132 O3 Sr0.795 Ti -","- Ce0.792 O18 Sr4.77 Ti6 -","6","0.166667","","Ubic, Rick; Subodh, Ganesanpotti; Sebastian, Mailadil T.; Gout, Delphine; Proffen, Thomas","Structure of Compounds in the Sr1‒3x/2CexTiO3Homologous Series","Chemistry of Materials","2008","20","9","3127","","10.1021/cm703659f","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "4001333","13.0395","0.0014","13.0395","0.0014","13.0346","0.0014","90","","90","","120","","1919.3","0.4","295","2","295","2","","","","","","","","2","R -3 c :H","-R 3 2""c","167","cadmium antimonide (12.7/10)","cadmium antimonide (12.7/10)","","- Cd12.73 Sb10 -","- Cd12.72 Sb10 -","- Cd38.16 Sb30 -","3","0.0833333","","Zelinska, Oksana Ya.; Bie, Haiying; Mar, Arthur","Structure of Cd12.7(1)Sb10","Chemistry of Materials","2007","19","6","1518","","10.1021/cm0629659","","","0.71073","MoKα","","0.0433","0.0371","","","0.0832","0.0848","","","","","","1.317","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001474","12.2392","0.0004","12.2392","0.0004","12.4357","0.0009","90","","90","","120","","1613.27","0.14","293","2","293","2","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Sb5 Zn5.92 -","- Sb5 Zn5.916 -","- Sb30 Zn35.496 -","6","0.166667","","Mozharivskyj, Yurij; Janssen, Yuri; Harringa, Joel L.; Kracher, Alfred; Tsokol, Alexandra O.; Miller, Gordon J.","Zn13Sb10: A Structural and Landau Theoretical Analysis of Its Phase Transitions","Chemistry of Materials","2006","18","3","822","","10.1021/cm0515505","","","0.71073","MoKα","","0.0238","0.0228","","","0.0543","0.0548","","","","","","1.122","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001669","9.9755","0.0001","9.9755","0.0001","57.2943","0.0009","90","","90","","120","","4937.55","0.1","293","","293","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ag3 In2 Mo15 Se19 -","- Ag2.9874 In2 Mo15 Se19 -","- Ag17.9244 In12 Mo90 Se114 -","6","0.166667","","Gougeon, Patrick; Gall, Philippe; Al Rahal Al Orabi, Rabih; Fontaine, Bruno; Gautier, Régis; Potel, Michel; Zhou, Tong; Lenoir, Bertrand; Colin, Malika; Candolfi, Christophe; Dauscher, Anne","Synthesis, Crystal and Electronic Structures, and Thermoelectric Properties of the Novel Cluster Compound Ag3In2Mo15Se19","Chemistry of Materials","2012","24","15","2899","","10.1021/cm3009557","","","0.71073","MoKα","","0.0555","0.0293","","","0.0512","0.0562","","","","1.17","1.17","1.08","","","","has coordinates","176432","2020-10-21","18:00:00","" "4002253","8.727","","8.727","","21.80779","","90","","90","","120","","1438.38","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Na3 Fe2 (P O4)3","","- Fe2 Na3 O12 P3 -","- Fe2 Na3.01 O12 P3 -","- Fe12 Na18.06 O72 P18 -","6","0.166667","","Masquelier, C.; Wurm, C.; Rodriguez-Carvajal, J.; Gaubicher, J.; Nazar, L.","A powder neutron diffraction investigation of the two rhombohedral NASICON analogues: gamma-(Na3 Fe2 (P O4)3) and Li3 Fe2 (P O4)3","Chemistry of Materials (1,1989-)","2000","12","","525","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","141040","2020-10-21","18:00:00","" "4002423","5.52","","5.52","","13.416","","90","","90","","120","","354.023","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","La0.6 Sr0.4 Fe0.8 Cr0.2 O3","","- Cr0.2 Fe0.8 La0.6 O3 Sr0.4 -","- Cr0.2 Fe0.8 La0.6 O3 Sr0.4 -","- Cr1.2 Fe4.8 La3.6 O18 Sr2.4 -","6","0.166667","","Ramos, T.; Carvalho, M.D.; Ferreira, L.P.; Godinho, M.; Cruz, M.M.","Structural and magnetic characterization of the series La(1-x) Sr(x) Fe0.8 Cr0.2 O(3-delta) (x = 0.2, 0.4, 0.6, and 0.8)","Chemistry of Materials (1,1989-)","2007","18","","3860","3865","","","","","","","","","","","","","","","","","","","","","","has coordinates","151515","2020-10-21","18:00:00","" "4002424","5.4973","","5.4973","","13.4088","","90","","90","","120","","350.929","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","La0.4 Sr0.6 Fe0.8 Cr0.2 O3","","- Cr0.2 Fe0.8 La0.4 O3 Sr0.6 -","- Cr0.2 Fe0.8 La0.4 O3 Sr0.6 -","- Cr1.2 Fe4.8 La2.4 O18 Sr3.6 -","6","0.166667","","Ramos, T.; Ferreira, L.P.; Carvalho, M.D.; Cruz, M.M.; Godinho, M.","Structural and magnetic characterization of the series La(1-x) Sr(x) Fe0.8 Cr0.2 O(3-delta) (x = 0.2, 0.4, 0.6, and 0.8)","Chemistry of Materials (1,1989-)","2007","18","","3860","3865","","","","","","","","","","","","","","","","","","","","","","has coordinates","151516","2020-10-21","18:00:00","" "4002425","5.5057","","5.5057","","13.4796","","90","","90","","120","","353.861","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","La0.2 Sr0.8 Fe0.8 Cr0.2 O3","","- Cr0.2 Fe0.8 La0.2 O3 Sr0.8 -","- Cr0.2 Fe0.8 La0.2 O3 Sr0.8 -","- Cr1.2 Fe4.8 La1.2 O18 Sr4.8 -","6","0.166667","","Ramos, T.; Carvalho, M.D.; Ferreira, L.P.; Cruz, M.M.; Godinho, M.","Structural and magnetic characterization of the series La(1-x) Sr(x) Fe0.8 Cr0.2 O(3-delta) (x = 0.2, 0.4, 0.6, and 0.8)","Chemistry of Materials (1,1989-)","2007","18","","3860","3865","","","","","","","","","","","","","","","","","","","","","","has coordinates","151517","2020-10-21","18:00:00","" "4002477","5.51085","","5.51085","","13.3562","","90","","90","","120","","351.278","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.724 Sr0.276) (Mn0.92 Cr0.08) O3","","- Cr0.08 La0.724 Mn0.92 O3 Sr0.276 -","- Cr0.08 La0.724 Mn0.92 O3 Sr0.276 -","- Cr0.48 La4.344 Mn5.52 O18 Sr1.656 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Sapina, F.; Martinez, E.; Beltran, A.; Folgado, J.V.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156735","2020-10-21","18:00:00","" "4002478","5.50836","","5.50836","","13.3553","","90","","90","","120","","350.937","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.712 Sr0.288) (Mn0.96 Co0.04) O3","","- Co0.04 La0.712 Mn0.96 O3 Sr0.288 -","- Co0.04 La0.712 Mn0.96 O3 Sr0.288 -","- Co0.24 La4.272 Mn5.76 O18 Sr1.728 -","6","0.166667","","El-Fadli, Z.; Sapina, F.; Metni, M.R.; Martinez, E.; Folgado, J.V.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156736","2020-10-21","18:00:00","" "4002479","5.5071","","5.5071","","13.3617","","90","","90","","120","","350.944","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.706 Sr0.294) (Mn0.98 Ga0.02) O3","","- Ga0.02 La0.706 Mn0.98 O3 Sr0.294 -","- Ga0.02 La0.706 Mn0.98 O3 Sr0.294 -","- Ga0.12 La4.236 Mn5.88 O18 Sr1.764 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Sapina, F.; Martinez, E.; Folgado, J.V.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156737","2020-10-21","18:00:00","" "4002480","5.5125","","5.5125","","13.3716","","90","","90","","120","","351.893","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.718 Sr0.282) (Mn0.94 Ga0.06) O3","","- Ga0.06 La0.718 Mn0.94 O3 Sr0.282 -","- Ga0.06 La0.718 Mn0.94 O3 Sr0.282 -","- Ga0.36 La4.308 Mn5.64 O18 Sr1.692 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Sapina, F.; Martinez, E.; Folgado, J.V.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156738","2020-10-21","18:00:00","" "4002481","5.51232","","5.51232","","13.3625","","90","","90","","120","","351.631","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.726 Sr0.274) (Mn0.98 Cu0.02) O3","","- Cu0.02 La0.726 Mn0.98 O3 Sr0.274 -","- Cu0.02 La0.726 Mn0.98 O3 Sr0.274 -","- Cu0.12 La4.356 Mn5.88 O18 Sr1.644 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Folgado, J.V.; Martinez, E.; Sapina, F.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156739","2020-10-21","18:00:00","" "4002482","5.53003","","5.53003","","13.3504","","90","","90","","120","","353.574","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.83 Sr0.17) (Mn0.9 Cu0.1) O3","","- Cu0.1 La0.83 Mn0.9 O3 Sr0.17 -","- Cu0.1 La0.83 Mn0.9 O3 Sr0.17 -","- Cu0.6 La4.98 Mn5.4 O18 Sr1.02 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Sapina, F.; Martinez, E.; Folgado, J.V.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156741","2020-10-21","18:00:00","" "4002483","5.51373","","5.51373","","13.3667","","90","","90","","120","","351.922","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.726 Sr0.274) (Mn0.98 Zn0.02) O3","","- La0.726 Mn0.98 O3 Sr0.274 Zn0.02 -","- La0.726 Mn0.98 O3 Sr0.274 Zn0.02 -","- La4.356 Mn5.88 O18 Sr1.644 Zn0.12 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Sapina, F.; Beltran, A.; Martinez, E.; Folgado, J.V.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156743","2020-10-21","18:00:00","" "4002484","5.52463","","5.52463","","13.3626","","90","","90","","120","","353.206","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.778 Sr0.222) (Mn0.94 Zn0.06) O3","","- La0.778 Mn0.94 O3 Sr0.222 Zn0.06 -","- La0.778 Mn0.94 O3 Sr0.222 Zn0.06 -","- La4.668 Mn5.64 O18 Sr1.332 Zn0.36 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Sapina, F.; Beltran, A.; Martinez, E.; Folgado, J.V.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156746","2020-10-21","18:00:00","" "4002485","5.5139","","5.5139","","13.3712","","90","","90","","120","","352.062","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.706 Sr0.294) (Mn0.98 Sc0.02) O3","","- La0.706 Mn0.98 O3 Sc0.02 Sr0.294 -","- La0.706 Mn0.98 O3 Sc0.02 Sr0.294 -","- La4.236 Mn5.88 O18 Sc0.12 Sr1.764 -","6","0.166667","","El-Fadli, Z.; Sapina, F.; Metni, M.R.; Beltran, A.; Martinez, E.; Folgado, J.V.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156749","2020-10-21","18:00:00","" "4002487","5.52635","","5.52635","","13.3873","","90","","90","","120","","354.079","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.718 Sr0.282) (Mn0.94 Sc0.06) O3","","- La0.718 Mn0.94 O3 Sc0.06 Sr0.282 -","- La0.718 Mn0.94 O3 Sc0.06 Sr0.282 -","- La4.308 Mn5.64 O18 Sc0.36 Sr1.692 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Sapina, F.; Martinez, E.; Folgado, J.V.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156752","2020-10-21","18:00:00","" "4002488","5.5364","","5.5364","","13.4053","","90","","90","","120","","355.846","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.73 Sr0.27) (Mn0.9 Sc0.1) O3","","- La0.73 Mn0.9 O3 Sc0.1 Sr0.27 -","- La0.73 Mn0.9 O3 Sc0.1 Sr0.27 -","- La4.38 Mn5.4 O18 Sc0.6 Sr1.62 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Sapina, F.; Martinez, E.; Folgado, J.V.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156754","2020-10-21","18:00:00","" "4002490","5.53975","","5.53975","","13.507","","90","","90","","120","","358.98","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.7 Ba0.3) Mn O3","","- Ba0.3 La0.7 Mn O3 -","- Ba0.3 La0.7 Mn O3 -","- Ba1.8 La4.2 Mn6 O18 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Martinez, E.; Sapina, F.; Folgado, J.V.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002491","5.54219","","5.54219","","13.4957","","90","","90","","120","","358.995","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.726 Ba0.274) (Mn0.98 Cu0.02) O3","","- Ba0.274 Cu0.02 La0.726 Mn0.98 O3 -","- Ba0.274 Cu0.02 La0.726 Mn0.98 O3 -","- Ba1.644 Cu0.12 La4.356 Mn5.88 O18 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Beltran, A.; Folgado, J.V.; Martinez, E.; Sapina, F.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156759","2020-10-21","18:00:00","" "4002492","5.54796","","5.54796","","13.443","","90","","90","","120","","358.339","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.83 Ba0.17) (Mn0.9 Cu0.1) O3","","- Ba0.17 Cu0.1 La0.83 Mn0.9 O3 -","- Ba0.17 Cu0.1 La0.83 Mn0.9 O3 -","- Ba1.02 Cu0.6 La4.98 Mn5.4 O18 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Sapina, F.; Folgado, J.V.; Martinez, E.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156762","2020-10-21","18:00:00","" "4002493","5.54852","","5.54852","","13.485","","90","","90","","120","","359.531","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.778 Ba0.222) (Mn0.94 Zn0.06) O3","","- Ba0.222 La0.778 Mn0.94 O3 Zn0.06 -","- Ba0.222 La0.778 Mn0.94 O3 Zn0.06 -","- Ba1.332 La4.668 Mn5.64 O18 Zn0.36 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Sapina, F.; Folgado, J.V.; Martinez, E.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156765","2020-10-21","18:00:00","" "4002494","5.54806","","5.54806","","13.5167","","90","","90","","120","","360.316","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.706 Ba0.294) (Mn0.98 Sc0.02) O3","","- Ba0.294 La0.706 Mn0.98 O3 Sc0.02 -","- Ba0.294 La0.706 Mn0.98 O3 Sc0.02 -","- Ba1.764 La4.236 Mn5.88 O18 Sc0.12 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Martinez, E.; Sapina, F.; Folgado, J.V.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156767","2020-10-21","18:00:00","" "4002495","5.5566","","5.5566","","13.525","","90","","90","","120","","361.648","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.718 Ba0.282) (Mn0.94 Sc0.06) O3","","- Ba0.282 La0.718 Mn0.94 O3 Sc0.06 -","- Ba0.282 La0.718 Mn0.94 O3 Sc0.06 -","- Ba1.692 La4.308 Mn5.64 O18 Sc0.36 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Martinez, E.; Sapina, F.; Folgado, J.V.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156770","2020-10-21","18:00:00","" "4002497","5.56486","","5.56486","","13.5395","","90","","90","","120","","363.113","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.73 Ba0.27) (Mn0.9 Sc0.1) O3","","- Ba0.27 La0.73 Mn0.9 O3 Sc0.1 -","- Ba0.27 La0.73 Mn0.9 O3 Sc0.1 -","- Ba1.62 La4.38 Mn5.4 O18 Sc0.6 -","6","0.166667","","El-Fadli, Z.; Sapina, F.; Metni, M.R.; Martinez, E.; Folgado, J.V.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156773","2020-10-21","18:00:00","" "4002537","4.9508","","4.9508","","14.0316","","90","","90","","120","","297.844","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(V0.98 Mo0.02)2 O3","","- Mo0.04 O3 V1.96 -","- Mo0.04 O3 V1.96 -","- Mo0.24 O18 V11.76 -","6","0.166667","","Tenailleau, C.; Suard, E.; Rodriguez-Carvajal, J.; Crosnier-Lopez, M.P.; Lacorre, P.","Effect of Mo doping on the room-temperature structure of vanadium sesquioxide","Chemistry of Materials (1,1989-)","2002","14","","3569","3575","","","","","","","","","","","","","","","","","","","","","","has coordinates","157904","2020-10-21","18:00:00","" "4002538","4.9405","","4.9405","","14.1631","","90","","90","","120","","299.385","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(V0.9 Mo0.1)2 O3","","- Mo0.2 O3 V1.8 -","- Mo0.2 O3 V1.8 -","- Mo1.2 O18 V10.8 -","6","0.166667","","Tenailleau, C.; Suard, E.; Rodriguez-Carvajal, J.; Crosnier-Lopez, M.P.; Lacorre, P.","Effect of Mo doping on the room-temperature structure of vanadium sesquioxide","Chemistry of Materials (1,1989-)","2002","14","","3569","3575","","","","","","","","","","","","","","","","","","","","","","has coordinates","157907","2020-10-21","18:00:00","" "4002539","4.9309","","4.9309","","14.2819","","90","","90","","120","","300.725","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(V0.8 Mo0.2)2 O3","","- Mo0.4 O3 V1.6 -","- Mo0.4 O3 V1.6 -","- Mo2.4 O18 V9.6 -","6","0.166667","","Tenailleau, C.; Lacorre, P.; Suard, E.; Rodriguez-Carvajal, J.; Crosnier-Lopez, M.P.","Effect of Mo doping on the room-temperature structure of vanadium sesquioxide","Chemistry of Materials (1,1989-)","2002","14","","3569","3575","","","","","","","","","","","","","","","","","","","","","","has coordinates","157910","2020-10-21","18:00:00","" "4002585","8.603","","8.603","","21.713","","90","","90","","120","","1391.71","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Na2 Ti Fe (P O4)3","","- Fe Na2 O12 P3 Ti -","- Fe Na2 O12 P3 Ti -","- Fe6 Na12 O72 P18 Ti6 -","6","0.166667","","Patoux, S.; Rousse, G.; Leriche, J.B.; Masquelier, C.","Structural and electrochemical studies of rhombohedral Na2 Ti M (P O4)3 and Li1.6 Na0.4 Ti M (P O4)3 (M = Fe, Cr) phosphates","Chemistry of Materials (1,1989-)","2003","15","","2084","2093","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002586","8.563","","8.563","","21.684","","90","","90","","120","","1376.96","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Na2 Ti Cr (P O4)3","","- Cr Na2 O12 P3 Ti -","- Cr Na2.01 O12 P3 Ti -","- Cr6 Na12.06 O72 P18 Ti6 -","6","0.166667","","Patoux, S.; Rousse, G.; Leriche, J.B.; Masquelier, C.","Structural and electrochemical studies of rhombohedral Na2 Ti M (P O4)3 and Li1.6 Na0.4 Ti M (P O4)3 (M = Fe, Cr) phosphates","Chemistry of Materials (1,1989-)","2003","15","","2084","2093","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002646","44.6954","0.0009","44.6954","0.0009","26.7782","0.0019","90","","90","","120","","46327","4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C48 H36 N4 O12 Zn3 -","- C48 H36 N4 O12 Zn3 -","- C864 H648 N72 O216 Zn54 -","18","0.5","","Lee, Seok J.; Doussot, Celine; Baux, Anthony; Liu, Lujia; Jameson, Geoffrey B.; Richardson, Christopher; Pak, Joshua J.; Trousselet, Fabien; Coudert, François-Xavier; Telfer, Shane G.","Multicomponent Metal‒Organic Frameworks as Defect-Tolerant Materials","Chemistry of Materials","2016","28","1","368","","10.1021/acs.chemmater.5b04306","","","1.54178","CuKα","","0.1507","0.0983","","","0.2875","0.3463","","","","","","1.11","","","","has coordinates","175778","2020-10-21","18:00:00","" "4002715","8.0919","0.0013","8.0919","0.0013","22.4","0.005","90","","90","","120","","1270.2","0.4","350","1","350","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C4 H10 N2 O6 Zn -","- C4.0002 H10.0008 N2.0001 O6 Zn -","- C24.0012 H60.0048 N12.0006 O36 Zn6 -","6","0.166667","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0163","0.0144","","","0.0379","0.0386","","","","","","1.031","","","","has coordinates,has disorder","194778","2020-10-21","18:00:00","" "4002718","8.0356","0.0004","8.0356","0.0004","22.7207","0.0016","90","","90","","120","","1270.54","0.13","345","1","345","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C4 H10 Mg N2 O6 -","- C4.0002 H10.0008 Mg N2.0001 O6 -","- C24.0012 H60.0048 Mg6 N12.0006 O36 -","6","0.166667","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0496","0.0339","","","0.0715","0.0776","","","","","","1.113","","","","has coordinates,has disorder","194778","2020-10-21","18:00:00","" "4002722","8.216","0.0003","8.216","0.0003","23.0005","0.001","90","","90","","120","","1344.59","0.09","330","1","330","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C4 H10 Mn N2 O6 -","- C4.0002 H10.0008 Mn N2.0001 O6 -","- C24.0012 H60.0048 Mn6 N12.0006 O36 -","6","0.166667","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0228","0.0198","","","0.05","0.0512","","","","","","1.191","","","","has coordinates,has disorder","194778","2020-10-21","18:00:00","" "4002725","8.1338","0.0003","8.1338","0.0003","22.6559","0.0008","90","","90","","120","","1298.07","0.08","330","1","330","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C4 H10 Fe N2 O6 -","- C4.0002 H10.0008 Fe N2.0001 O6 -","- C24.0012 H60.0048 Fe6 N12.0006 O36 -","6","0.166667","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0244","0.0197","","","0.0499","0.0517","","","","","","1.178","","","","has coordinates,has disorder","194778","2020-10-21","18:00:00","" "4002857","13.7222","0.0003","13.7222","0.0003","17.299","0.0004","90","","90","","120","","2820.97","0.11","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Br6 Cs4 Pb -","- Br6 Cs4 Pb -","- Br36 Cs24 Pb6 -","6","0.166667","","De Bastiani, Michele; Dursun, Ibrahim; Zhang, Yuhai; Alshankiti, Buthainah A.; Miao, Xiao-He; Yin, Jun; Yengel, Emre; Alarousu, Erkki; Turedi, Bekir; Almutlaq, Jawaher M.; Saidaminov, Makhsud I.; Mitra, Somak; Gereige, Issam; AlSaggaf, Ahmed; Zhu, Yihan; Han, Yu; Roqan, Iman S.; Bredas, Jean-Luc; Mohammed, Omar F.; Bakr, Osman M.","Inside Perovskites: Quantum Luminescence from Bulk Cs4PbBr6 Single Crystals","Chemistry of Materials","2017","29","17","7108","","10.1021/acs.chemmater.7b02415","","x-ray","0.71073","MoKα","","0.0473","0.043","","","0.1309","0.1376","","","","","","1.071","","","","has coordinates","273129","2022-02-23","10:11:32","" "4002861","14.4114","0.0005","14.4114","0.0005","46.858","0.002","90","","90","","120","","8428","0.5","100","2","100","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C30 H30 Cu6 I7 Li N12 O8 P2 -","- C30 H30 Cu6 I7 Li0.9999 N12 O8 P2 -","- C180 H180 Cu36 I42 Li5.9994 N72 O48 P12 -","6","0.166667","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.0509","0.0442","","","0.1157","0.1226","","","","","","1.05","","","","has coordinates","202662","2020-10-21","18:00:00","" "4002862","14.364","0.0002","14.364","0.0002","47.9353","0.0008","90","","90","","120","","8565.2","0.2","100","0.3","100","0.3","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C30 H30 Cu6 I7 N12 Na O5 P2 -","- C30 H30 Cu6 I7 N12 Na O5 P2 -","- C180 H180 Cu36 I42 N72 Na6 O30 P12 -","6","0.166667","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.0363","0.0341","","","0.0965","0.0984","","","","","","1.09","","","","has coordinates","202662","2020-10-21","18:00:00","" "4002863","14.343","0.0002","14.343","0.0002","48.4451","0.0009","90","","90","","120","","8631","0.2","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C30 H30 Cu6 I7 N12 O2 P2 -","- C30 H30 Cu6 I7 N12 O2 P2 -","- C180 H180 Cu36 I42 N72 O12 P12 -","6","0.166667","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.0366","0.0355","","","0.1116","0.1128","","","","","","1.125","","","","has coordinates","202662","2020-10-21","18:00:00","" "4002864","14.3646","0.0008","14.3646","0.0008","49.201","0.003","90","","90","","120","","8792.1","0.9","100.01","0.17","100.01","0.17","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C30 H30 Cu6 I7 K N12 O2 P2 -","- C30 H30 Cu6 I7 K N12 O2 P2 -","- C180 H180 Cu36 I42 K6 N72 O12 P12 -","6","0.166667","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.056","0.0471","","","0.1344","0.1413","","","","","","1.104","","","","has coordinates","202662","2020-10-21","18:00:00","" "4002865","14.2783","0.0004","14.2783","0.0004","49.8573","0.0014","90","","90","","120","","8802.6","0.4","100","0.4","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C38 H30 Cu6 I7 N13 O2 P2 -","- C37.9995 H30 Cu6 I7 N12.9999 O2 P2 -","- C227.997 H180 Cu36 I42 N77.9994 O12 P12 -","6","0.166667","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.041","0.0358","","","0.1035","0.1055","","","","","","1.241","","","","has coordinates","202662","2020-10-21","18:00:00","" "4003349","26.733","0.005","26.733","0.005","65.261","0.013","90","","90","","120","","40391","13","293.15","","293","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C168 H276 Cu8 I8 N8 O72 P6 Ti18 -","- C168 H60 Cu8 I8 N8 O72 P6 Ti18 -","- C1008 H360 Cu48 I48 N48 O432 P36 Ti108 -","6","0.166667","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.099","0.0715","","","0.198","0.2216","","","","","","1.055","","","","has coordinates","231525","2020-10-21","18:00:00","" "4021037","14.0476","0.0007","14.0476","0.0007","81.947","0.006","90","","90","","120","","14004.6","1.4","295","2","295","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C576 H936 O108 -","36","1","","James H. Rigby; Mundruppady S. Laxmisha; Andrew R. Hudson; Charles H. Heap; Mary Jane Heeg","Chromium(0)-Promoted Multicomponent Cycloaddition of Tethered Diynes with Cyclic Trienes: Application to the Total Synthesis of 9-epi-Pentalenic Acid","Journal of Organic Chemistry","2004","69","","6751","6760","10.1021/jo040204o","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00","" "4021854","11.2907","0.0006","11.2907","0.0006","79.253","0.008","90","","90","","120","","8749.5","1.1","100","2","100","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C23 H26 O2 -","- C23 H26 O2 -","- C414 H468 O36 -","18","0.5","","Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore","A Practical Synthesis of Bridged Diarylacetylenes","Journal of Organic Chemistry","2006","71","","6124","6129","10.1021/jo060817w","","","0.71073","MoKα","","0.0561","0.0504","","","0.1394","0.1455","","","","","","0.969","","","","has coordinates","178396","2020-10-21","18:00:00","" "4023553","17.9043","0.0018","17.9043","0.0018","28.214","0.004","90","","90","","120","","7832.7","1.5","298","2","298","2","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- C66 H60 -","- C66 H60 -","- C396 H360 -","6","0.166667","","M. Jalilur Rahman; Jun Yamakawa; Aoi Matsumoto; Hideo Enozawa; Tohru Nishinaga; Kenji Kamada; Masahiko Iyoda","Synthesis of Nonaphenylenes and Dodecaphenylenes Using Electron-Transfer Oxidation of Lipshutz Cuprates and Formation of Nanostructural Materials from Hexadodecyloxynonaphenylene","Journal of Organic Chemistry","2008","73","","5542","5548","10.1021/jo800787u","","","0.71069","MoKα","","0.1523","0.0542","","","0.1612","0.1985","","","","","","1.007","","","","has coordinates","178414","2020-10-21","18:00:00","" "4029286","15.098","0.003","15.098","0.003","94.97","0.02","90","","90","","120","","18748","7","173.15","","173.15","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C59 H45 Cl8 N18 -","- C59 H45 Cl8 N18 -","- C708 H540 Cl96 N216 -","12","0.333333","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1313","0.1234","","","0.3122","0.3188","","","","","","1.177","","","","has coordinates","259535","2020-12-04","06:05:00","" "4030186","12.43","0.009","12.43","0.009","11.32","0.009","90","","90","","120","","1515","2","","","293","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Bi F15 Zr3 -","- Bi0.999 F15 Zr3.001 -","- Bi5.994 F90 Zr18.006 -","6","0.166667","","Caignol, E.; Metin, J.; Chevalier, R.; Cousseins, J. C.; Avignant, D.","Crystal structure of the BiZr3F15 phase","European Journal of Solid State and Inorganic Chemistry","1988","25","","399","411","","","x-ray","0.71069","MoKα","","","0.0507","","","","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00","" "4030507","8.6417","0.0003","8.6417","0.0003","22.1498","0.0003","90","","90","","120","","1432.51","0.07","","","293","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- O12 P3 Sb0.5 Ta1.5 -","- O12 P3 Sb0.5 Ta1.5 -","- O72 P18 Sb3 Ta9 -","6","0.166667","","Jouanneaux, A.; Fitch, A. N.; Oyetola, S.; Verbaere, A.; Guyomard, D.; Piffard, Y.","The (MIII1/2M'V3/3)(PO4)3 compounds, M = Sb, Nd, Eu, Bi; M' = Sb, Nb, Ta. Preparation and structure","European Journal of Solid State and Inorganic Chemistry","1993","30","","125","137","","powder diffraction","x-ray","1.50481","","","","","","","","","","0.045","","","","","","","","has coordinates","178484","2020-10-21","18:00:00","" "4030521","5.5652","0.0002","5.5652","0.0002","118.376","0.003","90","","90","","120","","3175.09","0.18","","","293","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- La9 O27 Ti7 -","- La9 O27 Ti7 -","- La54 O162 Ti42 -","6","0.166667","","Bontchev, R.; Darriet, B.; Darriet, J.; Weill, F.; Van Tendeloo, G.; Amelinckx, S.","New cation deficient perovskite-like oxides in the system La4Ti3O12-LaTiO3","European Journal of Solid State and Inorganic Chemistry","1993","30","","521","537","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0772","","","","","","","","has coordinates","178484","2020-10-21","18:00:00","" "4030730","5.4435","0.0004","5.4435","0.0004","13.14","0.001","90","","90","","120","","337.2","0.04","","","295","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Al0.1 La Ni0.9 O3 -","- Al0.1 La Ni0.9 O3 -","- Al0.6 La6 Ni5.4 O18 -","6","0.166667","","Martinez-Lope, M. J.; Casais, M. T.; Alonso, J. A.","Doping of the RNiO3 perovskites in the Ni Positions: neutron diffraction study of the structural evolution of the R (Ni1-xAlx)O3 (R = La, Nd) series","European Journal of Solid State and Inorganic Chemistry","1995","32","","521","534","","powder diffraction","neutron","1.345","","","","","","","","","","0.033","","","","","","","","has coordinates","178486","2020-10-21","18:00:00","" "4030731","5.4024","0.0004","5.4024","0.0004","13.164","0.002","90","","90","","120","","332.73","0.06","","","295","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Al0.5 La Ni0.5 O3 -","- Al0.5 La Ni0.5 O3 -","- Al3 La6 Ni3 O18 -","6","0.166667","","Martinez-Lope, M. J.; Casais, M. T.; Alonso, J. A.","Doping of the RNiO3 perovskites in the Ni Positions: neutron diffraction study of the structural evolution of the R (Ni1-xAlx)O3 (R = La, Nd) series","European Journal of Solid State and Inorganic Chemistry","1995","32","","521","534","","powder diffraction","neutron","1.345","","","","","","","","","","0.036","","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4030843","9.9385","0.0009","9.9385","0.0009","54.08","0.01","90","","90","","120","","4626","1","","","295","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Br7 Cs4 K Re6 S8 -","- Br6.94 Cs3.948 K1.05 Re6 S7.902 -","- Br41.64 Cs23.688 K6.3 Re36 S47.412 -","6","0.166667","","Slougui, A.; Ferron, S.; Perrin, A.; Sergent, M.","Tetra-anionic units in octahedral Re6 thiobromides: the structure of Cs4KRe6S8Br7","European Journal of Solid State and Inorganic Chemistry","1996","33","","1001","1013","","","x-ray","0.71073","MoKα","","","0.026","","","0.048","","","","","","","1.155","","","","has coordinates","178487","2020-10-21","18:00:00","" "4030887","8.6334","0.0007","8.6334","0.0007","21.533","0.003","90","","90","","120","","1389.9","0.3","","","450","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Li O12 P3 Sn2 -","- Li O12 P3 Sn2 -","- Li6 O72 P18 Sn12 -","6","0.166667","","Morin, E.; Angenault, J.; Couturier, J. C.; Quarton, M.; He, H; Klinowski, J.","Phase transition and crystal structures of LiSn2(PO4)3","European Journal of Solid State and Inorganic Chemistry","1997","34","","947","958","","powder diffraction","neutron","2.398","","","","","","","","","","0.046","","","","","","","","has coordinates","178487","2020-10-21","18:00:00","" "4030904","17.906","0.005","17.906","0.005","19.458","0.005","90","","90","","120","","5403","3","","","293","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- H36 Mo6 Ni3 O42 Te -","- Mo6 Ni3 O42 Te -","- Mo36 Ni18 O252 Te6 -","6","0.166667","","Lorenzo-Luis, P. A.; Martin-Zarza, P.; Gili, P.; Saez Puche, R.; Jimenez-Jimenez, J.; Rodriguez-Castellon, E.; Ruiz-Perez, C.; Gonzalez-Platas, J.; Solans, X.","Synthesis and characterization of the molybdotellurates : [M(H2O)6]3.[TeMo6O24] : M = Ni(II) and Co(II)","European Journal of Solid State and Inorganic Chemistry","1997","34","","1259","1271","","","x-ray","0.71073","MoKα","","","0.0547","","","0.1417","","","","","","","1.394","","","","has coordinates","178488","2020-10-21","18:00:00","" "4030905","17.902","0.004","17.902","0.004","19.686","0.003","90","","90","","120","","5463.8","1.9","","","293","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Co3 H36 Mo6 O42 Te -","- Co3 Mo6 O42 Te -","- Co18 Mo36 O252 Te6 -","6","0.166667","","Lorenzo-Luis, P. A.; Martin-Zarza, P.; Gili, P.; Saez Puche, R.; Jimenez-Jimenez, J.; Rodriguez-Castellon, E.; Ruiz-Perez, C.; Gonzalez-Platas, J.; Solans, X.","Synthesis and characterization of the molybdotellurates : [M(H2O)6]3.[TeMo6O24] : M = Ni(II) and Co(II)","European Journal of Solid State and Inorganic Chemistry","1997","34","","1259","1271","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0744","","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4031172","5.5055","","5.5055","","13.4618","","90","","90","","120","","353.368","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La1.33 Na0.66) (Mn0.66 Ti1.34) O6","","- La1.33 Mn0.66 Na0.66 O6 Ti1.34 -","- La1.33 Mn0.66 Na0.66 O6 Ti1.34 -","- La3.99 Mn1.98 Na1.98 O18 Ti4.02 -","3","0.0833333","","Ruiz, A.I.; Veiga, M.L.; Lopez, M.L.; Pico, C.","Structural and electrical characterisation of the series La1.33 Nax Mnx Ti2-x O6","European Journal of Inorganic Chemistry","2000","2000","","659","664","","","","","","","","","","","","","","","","","","","","","","has coordinates","141110","2020-10-21","18:00:00","" "4031173","5.49","","5.49","","13.434","","90","","90","","120","","350.656","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La1.33 Na0.44) (Mn0.44 Ti1.56) O6","","- La1.33 Mn0.44 Na0.44 O6 Ti1.56 -","- La1.33 Mn0.44 Na0.44 O6 Ti1.56 -","- La3.99 Mn1.32 Na1.32 O18 Ti4.68 -","3","0.0833333","","Ruiz, A.I.; Lopez, M.L.; Veiga, M.L.; Pico, C.","Structural and electrical characterisation of the series La1.33 Nax Mnx Ti2-x O6","European Journal of Inorganic Chemistry","2000","2000","","659","664","","","","","","","","","","","","","","","","","","","","","","has coordinates","141111","2020-10-21","18:00:00","" "4031258","5.496","","5.496","","13.346","","90","","90","","120","","349.12","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","La0.7 Pb0.3 (Mn0.9 Co0.1) O3","","- Co0.1 La0.7 Mn0.9 O3 Pb0.3 -","- Co0.1 La0.7 Mn0.9 O3 Pb0.3 -","- Co0.6 La4.2 Mn5.4 O18 Pb1.8 -","6","0.166667","","Pena, A.; Gutierrez, J.; de Muro, I.G.; Rojo, T.; Campo, J.; Barandiaran, J.M.","Correlation between structure and magnetic and magnetotransport properties of La0.7 Pb0.3 (Mn(1-x) Co(x)) O3 (0.1 <= x <= 0.3) CMR manganites","European Journal of Inorganic Chemistry","2006","2006","","3227","3235","","","","","","","","","","","","","","","","","","","","","","has coordinates","151485","2020-10-21","18:00:00","" "4031259","5.4859","","5.4859","","13.2925","","90","","90","","120","","346.444","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","La0.7 Pb0.3 (Mn0.7 Co0.3) O3","","- Co0.3 La0.7 Mn0.7 O3 Pb0.3 -","- Co0.3 La0.7 Mn0.7 O3 Pb0.3 -","- Co1.8 La4.2 Mn4.2 O18 Pb1.8 -","6","0.166667","","Pena, A.; Gutierrez, J.; de Muro, I.G.; Campo, J.; Barandiaran, J.M.; Rojo, T.","Correlation between structure and magnetic and magnetotransport properties of La0.7 Pb0.3 (Mn(1-x) Co(x)) O3 (0.1 <= x <= 0.3) CMR Manganites","European Journal of Inorganic Chemistry","2006","2006","","3227","3235","","","","","","","","","","","","","","","","","","","","","","has coordinates","151486","2020-10-21","18:00:00","" "4031370","9.281","","9.281","","19.033","","90","","90","","120","","1419.8","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Rb (Np O2 (N O3)3)","","- N3 Np O11 Rb -","- N3 Np O11 Rb -","- N18 Np6 O66 Rb6 -","6","0.166667","","Alcock, N.W.; Brown, D.; Roberts, M.M.","Actinide structural studies. Part 2. Crystal and molecular structures of Rubidium Tris(nitrato)dioxoneptunate(1-) and Sodium Tris(aceto)dioxoneptunate(1-)","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1982","1982","","33","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4031423","7.521","","7.521","","46.111","","90","","90","","120","","2258.84","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Cr (N H3)6 Hg Cl5","","- Cl5 Cr H18 Hg N6 -","- Cl5 Cr H18 Hg N6 -","- Cl30 Cr6 H108 Hg6 N36 -","6","0.166667","","Clegg, W.","Deviations from ideal trigonal-bipyramidal geometry in the (Hg Cl5)(3-)-anion. Crystal structure of two complex salts.","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1982","1982","","593","595","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00","" "4031470","9.526","","9.526","","23.392","","90","","90","","120","","1838.31","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Na.625 (Zn.625 Sc1.375) (Mo O4)3","","- Mo3 Na0.625 O12 Sc1.375 Zn0.625 -","- Mo3 Na0.5 O12 Sc1.375 Zn0.625 -","- Mo18 Na3 O72 Sc8.25 Zn3.75 -","6","0.166667","","Lazoryak, B.I.; Efremov, V.A.","Phases with variable composition Na2x M(III)2x Sc2/(1-x) (Mo O4)3 (M = Zn, Cd, Mg)","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1987","32","","365","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","155332","2020-10-21","18:00:00","" "4031509","10.0766","","10.0766","","41.571","","90","","90","","120","","3655.52","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Ba9 Rh7.918 O24","","- Ba9 O24 Rh7.918 -","- Ba9 O24 Rh7.918 -","- Ba54 O144 Rh47.508 -","6","0.166667","","Boulahya, K.; Amador, U.; Hernando, M.; Gonzalez-Calbet, J.M.; Martinez, J.L.; Varela, A.; Parras, M.","Structure determination of the alpha=3, beta=6 term of the (A3 B2 O6)alpha (A3 B3 O9)beta homologous series (A = Ba, B = Rh) by a combination of powder X-ray diffraction and electron microscopy","European Journal of Inorganic Chemistry","2002","2002","","805","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","156619","2020-10-21","18:00:00","" "4031553","9.6065","","9.6065","","35.836","","90","","90","","120","","2864.05","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Sr9 (Ni2 Mn5 O21)","","- Mn5 Ni2 O21 Sr9 -","- Mn5 Ni2 O21 Sr9 -","- Mn30 Ni12 O126 Sr54 -","6","0.166667","","Hernando, M.; Boulahya, K.; Parras, M.; Gonzalez-Calbet, J.M.; Amador, U.","Synthesis and microstructural characterisation of two new one-dimensional members of the (A3 Ni Mn O6)a (A3 Mn3 O9)b homologous series (A= Ba, Sr)","European Journal of Inorganic Chemistry","2003","2003","","2419","2425","","","","","","","","","","","","","","","","","","","","","","has coordinates","160036","2020-10-21","18:00:00","" "4033815","13.4876","0.0002","13.4876","0.0002","57.4638","0.0016","90","","90","","120","","9053","0.3","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","9-phosphatriptycene triphenylcarbenium tetrafluoroborate complex","9-phosphatriptycene triphenylcarbenium tetrafluoroborate complex","","- C38 H28 B F4 P -","- C38 H28 B F4 P -","- C456 H336 B12 F48 P12 -","12","0.333333","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Complementary Synthetic Approaches toward 9-Phosphatriptycene and Structure-Reactivity Investigations of Its Association with Sterically Hindered Lewis Acids.","The Journal of organic chemistry","2019","84","17","11268","11274","10.1021/acs.joc.9b01570","","","1.54184","CuKα","","0.0717","0.0648","","","0.2026","0.2122","","","","","","1.079","","","","has coordinates","222390","2020-10-21","18:00:00","" "4036655","16.4148","0.0008","16.4148","0.0008","50.878","0.003","90","","90","","120","","11872.2","1.1","100","0.2","100","0.2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C96 H84 N6 O6 -","- C96 H84 N6 O6 -","- C576 H504 N36 O36 -","6","0.166667","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","1.54178","CuKα","","0.1076","0.0981","","","0.3669","0.3849","","","","","","2.165","","","","has coordinates","235039","2020-10-21","18:00:00","" "4036719","20.343","0.005","20.343","0.005","9.88","0.003","90","","90","","120","","3540.9","1.6","233","2","233","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C5 H10 N6 -","- C5 H10 N6 -","- C90 H180 N108 -","18","0.5","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0579","0.0442","","","0.1214","0.133","","","","","","1.045","","","","has coordinates","235130","2020-10-21","18:00:00","" "4060238","18.593","0.002","18.593","0.002","23.059","0.004","90","","90","","120","","6903.3","1.8","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C17 H24 Cu1.5 F9 N6 P1.5 -","- C17 H23.97 Cu1.5 F9 N6 P1.5 -","- C204 H287.64 Cu18 F108 N72 P18 -","12","0.333333","","","","Organometallics","2004","","","","","10.1021/om0341855","","","0.71073","MoKα","","0.0295","0.0275","","","0.0787","0.08","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00","" "4060239","18.3767","0.0014","18.3767","0.0014","23.425","0.004","90","","90","","120","","6850.9","1.3","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C34 H48 Au3 F18 N12 P3 -","- C34 H47.94 Au3 F18 N12 P3 -","- C204 H287.64 Au18 F108 N72 P18 -","6","0.166667","","","","Organometallics","2004","","","","","10.1021/om0341855","","","0.71073","MoKα","","0.0563","0.0416","","","0.1078","0.1149","","","","","","1.038","","","","has coordinates","178491","2020-10-21","18:00:00","" "4061554","28.598","0.005","28.598","0.005","32.224","0.01","90","","90","","120","","22823","9","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C64.5 H42 Cl3 Fe6 O18 P3 S3 -","- C64.5 H42 Cl3 Fe6 O18 P3 S3 -","- C774 H504 Cl36 Fe72 O216 P36 S36 -","12","0.333333","","","","Organometallics","2005","","","","","10.1021/om050333a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4061690","22.764","0.004","22.764","0.004","60.76","0.02","90","","90","","120","","27269","11","273","2","273","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C34 H35 F6 O Ru Sb -","- C34 H35 F6 O Ru Sb -","- C1224 H1260 F216 O36 Ru36 Sb36 -","36","1","","","","Organometallics","2005","","","","","10.1021/om0505458","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00","" "4067642","14.9203","0.0003","14.9203","0.0003","52.633","0.003","90","","90","","120","","10147.1","0.6","153","2","153","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C62 H94 Ga2 N2 Si6 -","- C61.96 H93.96 Ga2 N2 Si6 -","- C371.76 H563.76 Ga12 N12 Si36 -","6","0.166667","","Uhl, Werner; Hepp, Alexander; Westenberg, Hauke; Zemke, Sarina; Würthwein, Ernst-Ulrich; Hellmann, Johannes","Hydroalumination and Hydrogallation of 1,2-Bis(trimethylsilylethynyl)benzene: Formation of Molecular Capsules and C−C Bond Activation","Organometallics","2010","29","6","1406","","10.1021/om901058a","","","0.71073","MoKα","","0.0545","0.0389","","","0.1009","0.1125","","","","","","1.02","","","","has coordinates,has disorder","178567","2020-10-21","18:00:00","" "4067859","33.935","0.005","33.935","0.005","112.33","0.02","90","","90","","120","","112027","3","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C342 H359 Ag16 Cl5 Cu9 O20 P9 -","- C341.91 H351 Ag16 Cu9 P9 -","- C4102.92 H4212 Ag192 Cu108 P108 -","12","0.333333","","Chen, Zhong-Hui; Zhang, Li-Yi; Chen, Zhong-Ning","Structural Characterization and Luminescence Properties of a Triphosphine-Stabilized Ag16Cu9Heterometallic Alkynyl Cluster","Organometallics","2012","31","1","256","","10.1021/om200836k","","","0.8","","","0.1325","0.1041","","","0.2423","0.2567","","","","","","1.193","","","","has coordinates","178569","2020-10-21","18:00:00","" "4070236","23.2979","0.0011","23.2979","0.0011","33.4257","0.0019","90","","90","","120","","15712.5","1.4","291","2","291","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C28 H50 Cl2 N4 O Ru -","- C28 H50 Cl2 N4 O Ru -","- C504 H900 Cl36 N72 O18 Ru18 -","18","0.5","","Xu, Hui-Jun; Lu, Xiang-Yong; Cheng, Yong; Sun, Jia-Feng; Chen, Xue-Tai; Xue, Zi-Ling","Preparation, Characterization, and Catalytic Properties of Ruthenium(II) Nitrosyl Complexes with α-Diimine Ligands","Organometallics","2009","28","23","6687","","10.1021/om9006714","","","0.71073","MoKα","","0.0703","0.0498","","","0.1111","0.1161","","","","","","1.063","","","","has coordinates","178591","2020-10-21","18:00:00","" "4072048","25.2547","0.0003","25.2547","0.0003","20.6154","0.0005","90","","90","","120","","11386.9","0.3","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","R -3 c :H","-R 3 2""c","167","","","","- C20 H35 Br Ni P2 -","- C20 H35 Br Ni P2 -","- C360 H630 Br18 Ni18 P36 -","18","0.5","","Castonguay, Annie; Beauchamp, André L.; Zargarian, Davit","Preparation and Reactivities of PCP-Type Pincer Complexes of Nickel. Impact of Different Ligand Skeletons and Phosphine Substituents","Organometallics","2008","27","21","5723","","10.1021/om8005454","","","1.54178","CuKα","","0.0517","0.0436","","","0.1517","0.1578","","","","","","1.186","","","","has coordinates","178609","2020-10-21","18:00:00","" "4075472","13.151","0.002","13.151","0.002","68.335","0.016","90","","90","","120","","10235","3","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C60 H66 Ag3 I3 N18 -","- C60 H66 Ag3 I3 N18 -","- C360 H396 Ag18 I18 N108 -","6","0.166667","","Wang, Xin; Liu, Shuang; Weng, Lin-Hong; Jin, Guo-Xin","A Trinuclear Silver(I) Functionalized N-Heterocyclic Carbene Complex and Its Use in Transmetalation: Structure and Catalytic Activity for Olefin Polymerization","Organometallics","2006","25","15","3565","","10.1021/om060309c","","","0.71073","mokα","","0.0857","0.0635","","","0.1865","0.2116","","","","","","1.038","","","","has coordinates","189843","2020-10-21","18:00:00","" "4076213","16.149","0.002","16.149","0.002","22.881","0.005","90","","90","","120","","5167.7","1.4","294","2","294","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C18 H54 Ge Si7 -","- C18 H54 Ge0.994 Si7.006 -","- C108 H324 Ge5.964 Si42.036 -","6","0.166667","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0372","0.0317","","","0.0851","0.0883","","","","","","1.134","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00","" "4076214","16.222","0.002","16.222","0.002","23.099","0.005","90","","90","","120","","5264.2","1.5","233","2","233","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C18 H54 Si7 Sn -","- C18 H54 Si7 Sn -","- C108 H324 Si42 Sn6 -","6","0.166667","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0402","0.0333","","","0.1006","0.1039","","","","","","1.113","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00","" "4076215","16.176","0.002","16.176","0.002","22.921","0.005","90","","90","","120","","5194.1","1.5","253","2","253","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C18 H54 Ge2 Si6 -","- C18 H54 Ge2 Si6 -","- C108 H324 Ge12 Si36 -","6","0.166667","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0336","0.0222","","","0.054","0.0557","","","","","","0.902","","","","has coordinates","178651","2020-10-21","18:00:00","" "4077313","15.6134","0.0002","15.6134","0.0002","35.2061","0.0005","90","","90","","120","","7432.65","0.17","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C42 H57 Br3 N6 Pd3 -","- C42 H57 Br3 N6 Pd3 -","- C252 H342 Br18 N36 Pd18 -","6","0.166667","","Dijkstra, Harm P.; Meijer, Michel D.; Patel, Jim; Kreiter, Rob; van Klink, Gerard P. M.; Lutz, Martin; Spek, Anthony L.; Canty, Allan J.; van Koten, Gerard","Design and Performance of Rigid Nanosize Multimetallic Cartwheel Pincer Compounds as Lewis-Acid Catalysts","Organometallics","2001","20","14","3159","","10.1021/om0101689","","","0.71073","MoKα","","0.0288","0.0281","","","0.067","0.0674","","","","","","1.125","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077379","25.829","0.002","25.829","0.002","69.505","0.004","90","","90","","120","","40157","5","123","","123","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C32.4163 H52.167 B2.1667 F8.6667 N12 O4.75 Pd2 -","- C32.4163 H41.499 B2.16667 F8.66667 N12 O4.583 Pd2 -","- C1166.99 H1493.96 B78 F312 N432 O164.988 Pd72 -","36","1","","Rüther, Thomas; Done, Melanie C.; Cavell, Kingsley J.; Peacock, Evan J.; Skelton, Brian W.; White, Allan H.","Novel Methylpalladium(II) Complexes Bearing Tridentate Imidazole-Based Chelate Ligands: Synthesis, Structural Characterization, and Reactivity","Organometallics","2001","20","26","5522","","10.1021/om0104363","","","0.71073","MoKα","","0.097","0.054","","0.084","","0.072","","","1.825","","","1.869","","","","has coordinates","176432","2020-10-21","18:00:00","" "4078717","15.179","0.014","15.179","","47.282","0.005","90","","90","","120","","9434","9","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C36 H42 Mo2 N6 O28 -","- C36 H42 Mo2 N6 O27.98 -","- C216 H252 Mo12 N36 O167.88 -","6","0.166667","","Marques, Ana R.; Kromer, Lukas; Gallo, David J.; Penacho, Nuno; Rodrigues, Sandra S.; Seixas, João D.; Bernardes, Gonçalo J. L.; Reis, Patrícia M.; Otterbein, Sherrie L.; Ruggieri, Rachel A.; Gonçalves, Ana S. G.; Gonçalves, Ana M. L.; Matos, Marta N. De; Bento, Isabel; Otterbein, Leo E.; Blättler, Walter A.; Romão, Carlos C.","Generation of Carbon Monoxide Releasing Molecules (CO-RMs) as Drug Candidates for the Treatment of Acute Liver Injury: Targeting of CO-RMs to the Liver","Organometallics","2012","31","16","5810","","10.1021/om300360c","","","0.71073","MoKα","","0.0883","0.0688","","","0.2212","0.2434","","","","","","1.079","","","","has coordinates","178676","2020-10-21","18:00:00","" "4079631","26.6194","0.0004","26.6194","0.0004","27.22","0.0005","90","","90","","120","","16703.8","0.5","200","","200","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C37 H54 Cl N2 P2 Rh -","- C37 H54 Cl N2 P2 Rh -","- C666 H972 Cl18 N36 P36 Rh18 -","18","0.5","","Hill, Anthony F.; McQueen, Caitlin M. A.","Dihydroperimidine-Derived N-Heterocyclic Pincer Carbene Complexes via Double C‒H Activation","Organometallics","2012","31","23","8051","","10.1021/om300897w","","","0.71073","MoKα","","0.063","0.0499","","0.1208","0.1103","0.1208","","","","","","0.9753","","","","has coordinates","176467","2020-10-21","18:00:00","" "4084889","13.2192","0.0004","13.2192","0.0004","53.3347","0.0018","90","","90","","120","","8071.4","0.4","100","2","100","2","","","","","","","synthetical product","4","R -3 c :H","-R 3 2""c","167","","octakis(1,1-dimethylpropyl)octasilsesquioxane","","- C40 H88 O12 Si8 -","- C40 H88 O12 Si8 -","- C240 H528 O72 Si48 -","6","0.166667","","Hurkes, Natascha; Bruhn, Clemens; Belaj, Ferdinand; Pietschnig, Rudolf","Silanetriols as Powerful Starting Materials for Selective Condensation to Bulky POSS Cages.","Organometallics","2014","33","24","7299","7306","10.1021/om5010918","","","0.71073","MoKα","","0.0482","0.0416","","","0.12","0.128","","","","","","1.064","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00","" "4086325","18.0608","0.0005","18.0608","0.0005","104.861","0.005","90","","90","","120","","29622.3","1.8","123","2","123","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C144 H100 Ag47 N35 O101 -","- C144 H72 Ag47 N35 O101 -","- C864 H432 Ag282 N210 O606 -","6","0.166667","","Li, Bao; Zhang, Tianle","A Luminescent 3D Organometallic Network Based on Silver Clusters and Star-like Tris(4-ethynylphenyl)amine","Organometallics","2015","34","20","4796","","10.1021/acs.organomet.5b00761","","","0.71073","MoKα","","0.1415","0.0902","","","0.2178","0.2434","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00","" "4087384","23.275","0.002","23.275","0.002","37.719","0.004","90","","90","","120","","17696","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C40 H51 Co2 N4 P2 -","- C40 H51 Co2 N4 P2 -","- C720 H918 Co36 N72 P36 -","18","0.5","","Schaefer, Brian A.; Margulieux, Grant W.; Small, Brooke L.; Chirik, Paul J.","Evaluation of Cobalt Complexes Bearing Tridentate Pincer Ligands for Catalytic C‒H Borylation","Organometallics","2015","34","7","1307","","10.1021/acs.organomet.5b00044","","","0.71073","MoKα","","0.0345","0.0296","","","0.0737","0.0761","","","","","","1.064","","","","has coordinates","236763","2020-10-21","18:00:00","" "4100158","15.787","0.0019","15.787","0.0019","51.509","0.013","90","","90","","120","","11118","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C27 H33 In N4 O8 -","- C25.1673 H6 In N3.636 O8 -","- C453.012 H108 In18 N65.448 O144 -","18","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051259q","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00","" "4102167","15.0449","0.0008","15.0449","0.0008","81.101","0.006","90","","90","","120","","15897.7","1.7","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C53.5 H87 Fe N3 P3 Si -","- C53.4 H86.85 Fe N2.97 P3 Si -","- C640.8 H1042.2 Fe12 N35.64 P36 Si12 -","12","0.333333","","Neal P. Mankad; Peter Müller; Jonas C. Peters","Catalytic N-N Coupling of Aryl Azides To Yield Azoarenes via trigonal Bipyramid Iron-Nitrene Intermediates","Journal of the American Chemical Society","2010","132","","4083","4085","10.1021/ja910224c","","","0.71073","MoKα","","0.0588","0.0516","","","0.1168","0.12","","","","","","1.21","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4102563","9.2738","0.0002","9.2738","0.0002","10.7801","0.0004","90","","90","","120","","802.91","0.04","290","","290","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ca3 Li O6 Os -","- Ca3 Li O6 Os -","- Ca18 Li6 O36 Os6 -","6","0.166667","","Youguo Shi; Yanfeng Guo; Shan Yu; Masao Arai; Akira Sato; Alexei A. Belik; Kazunari Yamaura; Eiji Takayama-Muromachi","Crystal Growth and Structure and Magnetic Properties of the 5d Oxide Ca3LiOsO6: Extended Superexchange Magnetic Interaction in Oxide","Journal of the American Chemical Society","2010","132","","8474","8483","10.1021/ja102606q","","","0.71073","MoKα","","0.0224","0.0218","","","0.0584","0.059","","","","","","1.218","","","","has coordinates","178771","2020-10-21","18:00:00","" "4102654","31.0845","0.0004","31.0845","0.0004","71.018","0.002","90","","90","","120","","59427","2","258","2","258","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","IRMOF-77","","","- C84 H63 I6 N9 O30 Pd3 Zn4 -","- C84 H63 I6 N9 O30 Pd3 Zn4 -","- C1008 H756 I72 N108 O360 Pd36 Zn48 -","12","0.333333","","Kounosuke Oisaki; Qiaowei Li; Hiroyasu Furukawa; Alexander U. Czaja; Omar M. Yaghi","A Metal-Organic Framework with Covalently Bound Organometallic Complexes","Journal of the American Chemical Society","2010","132","","9262","9264","10.1021/ja103016y","","","1.54178","CuKα","","0.1754","0.1033","","","0.2897","0.3399","","","","","","1.141","","","","has coordinates","178772","2020-10-21","18:00:00","" "4102655","31.0845","0.0004","31.0845","0.0004","71.018","0.002","90","","90","","120","","59427","2","258","2","258","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","IRMOF-77squeeze","","","- C84 H63 I6 N9 O13 Pd3 Zn4 -","- C84 H63 I6 N9 O13 Pd3 Zn4 -","- C1008 H756 I72 N108 O156 Pd36 Zn48 -","12","0.333333","","Kounosuke Oisaki; Qiaowei Li; Hiroyasu Furukawa; Alexander U. Czaja; Omar M. Yaghi","A Metal-Organic Framework with Covalently Bound Organometallic Complexes","Journal of the American Chemical Society","2010","132","","9262","9264","10.1021/ja103016y","","","1.54178","CuKα","","0.107","0.056","","","0.1239","0.1389","","","","","","0.95","","","","has coordinates","178772","2020-10-21","18:00:00","" "4103182","29.7286","0.0008","29.7286","0.0008","126.826","0.003","90","","90","","120","","97071","4","90","2","90","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C111 H224 O84 Ti28 -","- C111 H224 O84 Ti28 -","- C1998 H4032 O1512 Ti504 -","18","0.5","","Jason B. Benedict; Renata Freindorf; Elzbieta Trzop; Jeffrey Cogswell; Philip Coppens","Large Polyoxotitanate Clusters: Well-Defined Models for Pure-Phase TiO2Structures and Surfaces","Journal of the American Chemical Society","2010","132","","13669","13671","10.1021/ja106436y","","","0.71073","MoKα","","0.0684","0.0538","","","0.1757","0.1989","","","","","","1.14","","","","has coordinates","178777","2020-10-21","18:00:00","" "4104493","8.231","0.0005","8.231","0.0005","22.399","0.003","90","","90","","120","","1314.2","0.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","catena-(Me2NH2)[Fe(HCOO)3]","catena-(dimethylammonium)-(tris(μ~2~-Formato-O,O')-iron(ii)","","- C5 H15 Fe N O6 -","- C5 H10.98 Fe N0.99 O6 -","- C30 H65.88 Fe6 N5.94 O36 -","6","0.166667","","Karl S. Hagen; Sunil G. Naik; Boi Hanh Huynh; Antonio Masello; George Christou","Intensely Colored Mixed-Valence Iron(II) Iron(III) Formate Analogue of Prussian Blue Exhibits Néel N-Type Ferrimagnetism","Journal of the American Chemical Society","2009","131","","7516","7517","10.1021/ja901093b","","x-ray","0.71073","MoKα","","0.0206","0.0199","","","0.0531","0.0535","","","","","","1.119","","","","has coordinates","178790","2020-10-21","18:00:00","" "4104841","17.7369","0.0008","17.7369","0.0008","72.654","0.003","90","","90","","120","","19794.5","1.5","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C27 H63 Cu8 F7 O12 P7 Se12 -","- C27 H63 Cu8 F7 O12 P7 Se12 -","- C324 H756 Cu96 F84 O144 P84 Se144 -","12","0.333333","","C. W. Liu; Bijay Sarkar; Yao-Jheng Huang; Ping-Kuei Liao; Ju-Chun Wang; Jean-Yves Saillard; Samia Kahlal","Octanuclear Copper(I) Clusters Inscribed in a Se12 Icosahedron: Anion-Induced Modulation of the Core Size and Symmetry","Journal of the American Chemical Society","2009","131","","11222","11233","10.1021/ja904089t","","","0.71073","MoKα","","0.0772","0.0484","","","0.1568","0.1812","","","","","","1.131","","","","has coordinates","178794","2020-10-21","18:00:00","" "4104843","17.6955","0.0003","17.6955","0.0003","71.878","0.003","90","","90","","120","","19491.8","0.9","298","2","298","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C24 H61 Cu8 F6 O12 P7 Se12 -","- C24 H61 Cu8 F6 O12 P7 Se12 -","- C288 H732 Cu96 F72 O144 P84 Se144 -","12","0.333333","","C. W. Liu; Bijay Sarkar; Yao-Jheng Huang; Ping-Kuei Liao; Ju-Chun Wang; Jean-Yves Saillard; Samia Kahlal","Octanuclear Copper(I) Clusters Inscribed in a Se12 Icosahedron: Anion-Induced Modulation of the Core Size and Symmetry","Journal of the American Chemical Society","2009","131","","11222","11233","10.1021/ja904089t","","","0.71073","MoKα","","0.0685","0.0518","","","0.1505","0.162","","","","","","1.091","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00","" "4105063","8.241","0.002","8.241","","22.545","0.006","90","","90","","120","","1326","0.5","273","2","273","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","Dimethylammoniumironformate","","","- C15 H27 Fe3 N2.97 O18 -","- C15 H27 Fe3 N2.97 O18 -","- C30 H54 Fe6 N5.94 O36 -","2","0.0555556","","Prashant Jain; Vasanth Ramachandran; Ronald J. Clark; Hai Dong Zhou; Brian H. Toby; Naresh S. Dalal; Harold W. Kroto; Anthony K. Cheetham","Multiferroic Behavior Associated with an Order-Disorder Hydrogen Bonding Transition in Metal-Organic Frameworks (MOFs) with the Perovskite ABX3 Architecture","Journal of the American Chemical Society","2009","131","","13625","13627","10.1021/ja904156s","","","0.71073","MoKα","","0.0561","0.0403","","","0.0883","0.093","","","","","","1.074","","","","has coordinates","178796","2020-10-21","18:00:00","" "4105151","16.0272","0.0011","16.0272","0.0011","59.8917","0.0011","90","","90","","120","","13323.3","1.3","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C54 H90 Co3 N12 Na12 O57 -","- C54 H24 Co3 N12 Na12 O56.99 -","- C324 H144 Co18 N72 Na72 O341.94 -","6","0.166667","","Marie-Claire Dul; Emilio Pardo; Rodrigue Lescouëzec; Lise-Marie Chamoreau; Françoise Villain; Yves Journaux; Rafael Ruiz-García; Joan Cano; Miguel Julve; Francesc Lloret; Jorge Pasán; Catalina Ruiz-Pérez","Redox Switch-Off of the Ferromagnetic Coupling in a Mixed-Spin Tricobalt(II) Triple Mesocate","Journal of the American Chemical Society","2009","131","","14614","14615","10.1021/ja9052202","","x-ray","0.71073","Mokα","","0.161","0.1162","","","0.3119","0.3565","","","","","","1.039","","","","has coordinates","178797","2020-10-21","18:00:00","" "4105533","26.0607","0.0003","26.0607","0.0003","98.7782","0.0014","90","","90","","120","","58098.4","1.3","120","2","120","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C306 H294 B12 F60 N90 Ni8 O36 Si2 -","- C306 H294 B9 F44.04 N90 Ni8 O36 Si2.01 -","- C1836 H1764 B54 F264.24 N540 Ni48 O216 Si12.06 -","6","0.166667","","Andrew Stephenson; Stephen P. Argent; Thomas Riis-Johannessen; Ian S. Tidmarsh; Michael D. Ward","Structures and Dynamic Behavior of Large Polyhedral Coordination Cages: An Unusual Cage-to-Cage Interconversion","Journal of the American Chemical Society","2011","133","","858","870","10.1021/ja107403p","","","0.71073","MoKα","","0.1462","0.1294","","","0.396","0.4101","","","","","","1.736","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00","" "4105649","53.188","0.003","53.188","0.003","17.813","0.002","90","","90","","120","","43641","6","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C38 H40 N2 O16 Zn2 -","- C28 H16 N2 O13 Zn2 -","- C1008 H576 N72 O468 Zn72 -","36","1","","Sebastian Henke; Roland A. Fischer","Gated Channels in a Honeycomb-like Zinc-Dicarboxylate-Bipyridine Framework with Flexible Alkyl Ether Side Chains","Journal of the American Chemical Society","2011","133","","2064","2067","10.1021/ja109317e","","","1.54178","CuKα","","0.1145","0.0903","","","0.2642","0.2778","","","","","","0.987","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00","" "4106114","20.034","0.003","20.034","0.003","91.487","0.018","90","","90","","120","","31800","9","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C124 H134 Cl12 N12 O14 Ru6 -","- C124.02 H130.02 Cl12.06 N12 O14 Ru6 -","- C744.12 H780.12 Cl72.36 N72 O84 Ru36 -","6","0.166667","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.187","0.1375","","","0.3449","0.3832","","","","","","1.278","","","","has coordinates","178807","2020-10-21","18:00:00","" "4106115","20.279","0.004","20.279","0.004","62.756","0.005","90","","90","","120","","22350","6","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C109 H125 Cl21 N12 O14 Ru6 -","- C109 H121 Cl21 N12 O14 Ru6 -","- C654 H726 Cl126 N72 O84 Ru36 -","6","0.166667","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.0996","0.0617","","","0.1605","0.1949","","","","","","1.118","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00","" "4106513","27.2749","0.0018","27.2749","0.0018","87.561","0.005","90","","90","","120","","56412","6","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C38 H38 B2 N12 O5 Zn2 -","- C38 H38 B2 N12 O5 Zn2 -","- C1368 H1368 B72 N432 O180 Zn72 -","36","1","","Hai-Xia Zhang; Fei Wang; Hui Yang; Yan-Xi Tan; Jian Zhang; Xianhui Bu","Interrupted Zeolite LTA and ATN-Type Boron Imidazolate Frameworks","Journal of the American Chemical Society","2011","133","","11884","11887","10.1021/ja2040927","","","0.71073","MoKα","","0.0646","0.0604","","","0.1939","0.2004","","","","","","1.091","","","","has coordinates","178811","2020-10-21","18:00:00","" "4106570","30.927","0.011","30.927","0.011","86.9","0.06","90","","90","","120","","71982","6","180","2","180","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C178 H148 Ce4 N30 O31 -","- C177.91 H130.86 Ce4 N29.98 O30.935 -","- C2134.92 H1570.32 Ce48 N359.76 O371.22 -","12","0.333333","","Jian Wang; Cheng He; Pengyan Wu; Jing Wang; Chunying Duan","An Amide-Containing Metal-Organic Tetrahedron Responding to a Spin-Trapping Reaction in a Fluorescent Enhancement Manner for Biological Imaging of NO in Living Cells","Journal of the American Chemical Society","2011","133","","12402","12405","10.1021/ja2048489","","","0.71073","MoKα","","0.1082","0.0692","","","0.1882","0.2031","","","","","","0.993","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00","" "4107238","17.754","0.002","17.754","0.002","62.184","0.007","90","","90","","120","","16975","3","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C72 H164 Cu6 I2 K8 N8 O20 -","- C71.94 H163.86 Cu6 I1.99 K8 N7.98 O19.98 -","- C431.64 H983.16 Cu36 I11.94 K48 N47.88 O119.88 -","6","0.166667","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0872","0.0576","","","0.1536","0.1722","","","","","","1.016","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00","" "4107326","18.453","0.0004","18.453","0.0004","76.976","0.004","90","","90","","120","","22699.7","1.4","90","2","90","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","PCN-14","","","- C270 H162 Cu18 O90 -","- C270 H126 Cu18 O90 -","- C540 H252 Cu36 O180 -","2","0.0555556","","Shengqian Ma; Daofeng Sun; Jason M. Simmons; Christopher D. Collier; Daqiang Yuan; Hong-Cai Zhou","Metal-Organic Framework from an Anthracene Derivative Containing Nanoscopic Cages Exhibiting High Methane Uptake","Journal of the American Chemical Society","2008","130","","1012","1016","10.1021/ja0771639","","","1.54178","CuKα","","0.0597","0.0518","","","0.1591","0.1658","","","","","","1.071","","","","has coordinates","178819","2020-10-21","18:00:00","" "4107540","25.278","0.006","25.278","0.006","86.34","0.04","90","","90","","120","","47778","3","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","bis[di{(\±)-2,7,12-trimethoxy-3,8,13-tris (4-[4'-methyl-2,2'-bipyridyl]benzyloxy) -10,15-dihydro-5H-tribenzo[a,d,g]cyclononene}trinitrodizinc(II)] nitrate dimethylsulfoxide clathrate","","- C120 H108 N18 O30 Zn3 -","- C120 H108 N15 O21 Zn3 -","- C1440 H1296 N180 O252 Zn36 -","12","0.333333","","Aleema Westcott; Julie Fisher; Lindsay P. Harding; Pierre Rizkallah; Michaele J. Hardie","Self-Assembly of a 3-D Triply Interlocked Chiral [2]Catenane","Journal of the American Chemical Society","2008","130","","2950","2951","10.1021/ja8002149","","","0.7972","synchrotron","","0.1522","0.1","","","0.2731","0.3044","","","","","","1.023","","","","has coordinates","270822","2021-11-23","08:35:34","" "4108181","28.8303","0.0002","28.8303","0.0002","110.4313","0.0009","90","","90","","120","","79491.6","1","200","2","200","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C255 H552 Cl12 Fe64 N32 O327 -","- C255 Cl12.02 Fe64 N32 O327.05 -","- C1530 Cl72.12 Fe384 N192 O1962.3 -","6","0.166667","","Tao Liu; Yan-Juan Zhang; Zhe-Ming Wang; Song Gao","A 64-Nuclear Cubic Cage Incorporating Propeller-like FeIII8 Apices and HCOO- Edges","Journal of the American Chemical Society","2008","130","","10500","10501","10.1021/ja803846z","","","0.71073","MoKα","","0.1141","0.0607","","","0.1634","0.1897","","","","","","0.971","","","","has coordinates,has disorder","178827","2020-10-21","18:00:00","" "4108268","38.3867","0.0009","38.3867","0.0009","141.831","0.003","90","","90","","120","","180994","7","258","2","258","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","MOP-24","","","- C656 H776 Cu24 N64 O188 -","- C336 H144 Cu24 O120 -","- C2016 H864 Cu144 O720 -","6","0.166667","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.2239","0.0682","","","0.1385","0.183","","","","","","0.958","","","","has coordinates","178828","2020-10-21","18:00:00","" "4110510","16.1893","0.0012","16.1893","0.0012","56.712","0.01","90","","90","","120","","12872","3","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C76 H132 Fe4 O18 -","- C76 H132 Fe4 O18 -","- C456 H792 Fe24 O108 -","6","0.166667","","Stefania Accorsi; Anne-Laure Barra; Andrea Caneschi; Guillaume Chastanet; Andrea Cornia; Antonio C. Fabretti; Dante Gatteschi; Cecilia Mortalò; Emiliano Olivieri; Francesca Parenti; Patrick Rosa; Roberta Sessoli; Lorenzo Sorace; Wolfgang Wernsdorfer; Laura Zobbi","Tuning Anisotropy Barriers in a Family of Tetrairon(III) Single-Molecule Magnets with an S = 5 Ground State","Journal of the American Chemical Society","2006","128","","4742","4755","10.1021/ja0576381","","","0.71073","MoKα","","0.0619","0.037","","","0.0991","0.1089","","","","","","1.064","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00","" "4110860","24.5457","0.0016","24.5457","0.0016","112.885","0.01","90","","90","","120","","58900","8","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C213 H177 N13 O9 P8 S12 Ti2 -","- C212.82 H176.85 N12.995 O9 P7.99 S12 Ti2 -","- C2553.84 H2122.2 N155.94 O108 P95.88 S144 Ti24 -","12","0.333333","","Thorsten Kreickmann; Christian Diedrich; Tania Pape; Han Vinh Huynh; Stefan Grimme; F. Ekkehardt Hahn","Metallosupramolecular Chemistry with Bis(benzene-o-dithiolato) Ligands","Journal of the American Chemical Society","2006","128","","11808","11819","10.1021/ja063655u","","","1.54178","CuKα","","0.1258","0.0886","","","0.2439","0.279","","","","","","1.04","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00","" "4111619","18.374","0.0006","18.374","0.0006","55.729","0.003","90","","90","","120","","16293.7","1.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C29.33 H22.67 Cl4.67 P2 Pt -","- C29.36 H22.72 Cl4.72 P2 Pt -","- C528.48 H408.96 Cl84.96 P36 Pt18 -","18","0.5","","Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Metal-Templated Diyne Cyclodimerization and Cyclotrimerization","Journal of the American Chemical Society","2005","127","","5038","5039","10.1021/ja050155c","","","0.7107","MoKα","","0.0834","0.0493","","","0.1471","0.1753","","","","","","1.039","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00","" "4111893","26.8981","0.0017","26.8981","0.0017","87.805","0.011","90","","90","","120","","55017","8","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C158 H138 Cd17 N4 S6 Se26 -","- C144 Cd17 S5 Se27 -","- C1728 Cd204 S60 Se324 -","12","0.333333","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.1399","0.0813","","","0.2079","0.2387","","","","","","0.987","","","","has coordinates","178889","2020-10-21","18:00:00","" "4112352","18.5059","0.0007","18.5059","0.0007","9.9168","0.0007","90","","90","","120","","2941.2","0.3","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C2 H3 F N4 O1.65 Zn -","- C2 H3 F N4 O1.64933 Zn -","- C36 H54 F18 N72 O29.688 Zn18 -","18","0.5","","Cheng-Yong Su; Andrea M. Goforth; Mark D. Smith; P. J. Pellechia; Hans-Conrad zur Loye","Exceptionally Stable, Hollow Tubular Metal-Organic Architectures: Synthesis, Characterization, and Solid-State Transformation Study","Journal of the American Chemical Society","2004","126","","3576","3586","10.1021/ja039022m","","","0.71073","MoKα","","0.0265","0.0241","","","0.0631","0.0646","","","","","","1.065","","","","has coordinates","178894","2020-10-21","18:00:00","" "4112353","18.5486","0.0007","18.5486","0.0007","9.8538","0.0007","90","","90","","120","","2936","0.3","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C2 H3 F N4 O0.86 Zn -","- C2 H3 F N4 O0.854 Zn -","- C36 H54 F18 N72 O15.372 Zn18 -","18","0.5","","Cheng-Yong Su; Andrea M. Goforth; Mark D. Smith; P. J. Pellechia; Hans-Conrad zur Loye","Exceptionally Stable, Hollow Tubular Metal-Organic Architectures: Synthesis, Characterization, and Solid-State Transformation Study","Journal of the American Chemical Society","2004","126","","3576","3586","10.1021/ja039022m","","","0.71073","MoKα","","0.0252","0.0233","","","0.0636","0.0647","","","","","","1.067","","","","has coordinates","178894","2020-10-21","18:00:00","" "4112354","18.5744","0.0007","18.5744","0.0007","9.8413","0.0007","90","","90","","120","","2940.4","0.3","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C2 H3 F N4 O0.16 Zn -","- C2 H3 F N4 O0.155333 Zn -","- C36 H54 F18 N72 O2.796 Zn18 -","18","0.5","","Cheng-Yong Su; Andrea M. Goforth; Mark D. Smith; P. J. Pellechia; Hans-Conrad zur Loye","Exceptionally Stable, Hollow Tubular Metal-Organic Architectures: Synthesis, Characterization, and Solid-State Transformation Study","Journal of the American Chemical Society","2004","126","","3576","3586","10.1021/ja039022m","","","0.71073","MoKα","","0.0286","0.027","","","0.0674","0.0683","","","","","","1.072","","","","has coordinates","178894","2020-10-21","18:00:00","" "4112777","13.533","0.005","13.533","0.005","51.977","0.005","90","0.005","90","0.005","120","0.005","8244","4","100","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C18 H9.5 Br6 F9 N Sb1.5 -","- C18 H10 Br6 F9 N Sb1.5 -","- C216 H120 Br72 F108 N12 Sb18 -","12","0.333333","","Yasujiro Murata; Fuyong Cheng; Toshikazu Kitagawa; Koichi Komatsu","Generation of Fullerenyl Cation (EtO)2P+(OH)CH2-C60+ from RC60-H and from RC60-C60R (R = CH2P(O)(OEt)2)","Journal of the American Chemical Society","2004","126","","8874","8875","10.1021/ja047483h","","","0.71069","MoKα","","0.1146","0.0675","","","0.169","0.1859","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00","" "4113381","13.7573","0.0005","13.7573","0.0005","125.44","0.006","90","","90","","120","","20560.5","1.4","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","tripodand 1-Fe","","","- C66 H71 F12 Fe N7 O10 P2 -","- C66 H69 F11.94 Fe N7 O9.99 P2 -","- C792 H828 F143.28 Fe12 N84 O119.88 P24 -","12","0.333333","","Tatsuya Nabeshima; Yuko Yoshihira; Toshiyuki Saiki; Shigehisa Akine; Ernst Horn","Remarkably Large Positive and Negative Allosteric Effects on Ion Recognition by the Formation of a Novel Helical Pseudocryptand","Journal of the American Chemical Society","2003","125","","28","29","10.1021/ja028750r","","","0.71069","MoKα","","0.1124","0.0751","","","0.1675","0.1936","","","","","","1.047","","","","has coordinates","178904","2020-10-21","18:00:00","" "4114033","10.813","0.0004","10.813","0.0004","69.271","0.003","90","","90","","120","","7014.1","0.5","183","2","183","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","PMo(O(1-MeCy))3","","","- C21 H39 Mo O3 P -","- C21 H39 Mo O3 P -","- C252 H468 Mo12 O36 P12 -","12","0.333333","","Frances H. Stephens; Joshua S. Figueroa; Paula L. Diaconescu; Christopher C. Cummins","Molybdenum-Phosphorus Triple Bond Stabilization by Ancillary Alkoxide Ligation: Synthesis and Structure of a Terminal Phosphide Tris-1-methylcyclohexanoxide Complex","Journal of the American Chemical Society","2003","125","","9264","9265","10.1021/ja0354317","","","0.71073","MoKα","","0.0394","0.0357","","","0.0958","0.0986","","","","","","1.092","","","","has coordinates","178911","2020-10-21","18:00:00","" "4114662","13.5285","0.0003","13.5285","0.0003","35.853","0.0002","90","","90","","120","","5682.71","0.18","293","2","293","2","","","","","","","synthetic","6","R -3 c :H","-R 3 2""c","167","lithium molybdenum hexacyanide","","","- C24 H42 Li3 Mo N12 O6 -","- C24 H42 Li3 Mo N12 O6 -","- C144 H252 Li18 Mo6 N72 O36 -","6","0.166667","","Laurance G. Beauvais; Jeffrey R. Long","Cyanide-Limited Complexation of Molybdenum(III): Synthesis of Octahedral [Mo(CN)6]3- and Cyano-Bridged [Mo2(CN)11]5-","Journal of the American Chemical Society","2002","124","","2110","2111","10.1021/ja0175901","","","0.71073","MoKα","","0.0522","0.0426","","0.1301","0.1231","","","","1.112","1.157","1.157","","","","","has coordinates","178917","2020-10-21","18:00:00","" "4114734","17.2627","0.0005","17.2627","0.0005","25.6138","0.0008","90","","90","","120","","6610.3","0.3","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Gd4 H24 Mo12 O60 -","- Gd4 Mo12 O54 -","- Gd24 Mo72 O324 -","6","0.166667","","Chuan-De Wu; Can-Zhong Lu; Hong-Hui Zhuang; Jin-Shun Huang","Hydrothermal Assembly of a Novel Three-Dimensional Framework Formed by [GdMo12O42]9- Anions and Nine Coordinated GdIII Cations","Journal of the American Chemical Society","2002","124","","3836","3837","10.1021/ja017782w","","","0.71073","MoKα","","","0.0467","","","0.1124","0.1209","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115685","22.6143","0.0005","22.6143","0.0004","106.038","0.002","90","","90","","120","","46963.3","1.6","170.2","","170.2","","","","","","","","synthetic","5","R -3 c :H","-R 3 2""c","167","","","","- C156 H188 N20 O36 Ti4 -","- C173 H57 N18 O36 Ti4 -","- C2076 H684 N216 O432 Ti48 -","12","0.333333","","Dana L. Caulder; Christian Brückner; Ryan E. Powers; Stefan König; Tatjana N. Parac; Julie A. Leary; Kenneth N. Raymond","Design, Formation and Properties of Tetrahedral M4L4 and M4L6 Supramolecular Clusters1","Journal of the American Chemical Society","2001","123","","8923","8938","10.1021/ja0104507","","","0.7107","MoKalpha","","0.191","0.1087","","","0.1204","","","","","4.21","4.21","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4116088","17.0867","0.0013","17.0867","0.0013","49.643","0.006","90","","90","","120","","12552","2","293","2","293","2","","","","","","","synthetic","8","R -3 c :H","-R 3 2""c","167","","","","- C12 H48 N12 Na2 O24 Re12 Se16 Zn3 -","- C12 N12 Na1.98 O23.6 Re12 Se16 Zn3 -","- C72 N72 Na11.88 O141.6 Re72 Se96 Zn18 -","6","0.166667","","Miriam V. Bennett; Matthew P. Shores; Laurance G. Beauvais; Jeffrey R. Long","Expansion of the Porous Solid Na2Zn3[Fe(CN)6]2.9H2O: Enhanced Ion-Exchange Capacity in Na2Zn3[Re6Se8(CN)6]2.24H2O","Journal of the American Chemical Society","2000","122","","6664","6668","10.1021/ja000593d","","","0.71073","MoKα","","0.1091","0.0446","","0.0973","0.0811","","","","0.99","1.116","1.116","","","","","has coordinates","178931","2020-10-21","18:00:00","" "4116089","17.1915","0.0012","17.1915","0.0012","49.369","0.005","90","","90","","120","","12636.1","1.8","293","2","293","2","","","","","","","synthetic","7","R -3 c :H","-R 3 2""c","167","","","","- C12 H48 N12 O24 Re12 Se16 Zn4 -","- C12 N12 O24 Re12 Se16 Zn4 -","- C72 N72 O144 Re72 Se96 Zn24 -","6","0.166667","","Miriam V. Bennett; Matthew P. Shores; Laurance G. Beauvais; Jeffrey R. Long","Expansion of the Porous Solid Na2Zn3[Fe(CN)6]2.9H2O: Enhanced Ion-Exchange Capacity in Na2Zn3[Re6Se8(CN)6]2.24H2O","Journal of the American Chemical Society","2000","122","","6664","6668","10.1021/ja000593d","","","0.71073","MoKα","","0.0525","0.0278","","0.0732","0.0687","","","","0.949","1.102","1.102","","","","","has coordinates","178931","2020-10-21","18:00:00","" "4116188","19.3462","0.0002","19.3462","0.0002","51.7863","0.0008","90","","90","","120","","16785.6","0.4","138","2","138","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","4","","","- C126 H78 Cl0 N7 O7 P6 Pd2 Tl -","- C125.76 H78 N7 O6.96 P6 Pd2 Tl -","- C754.56 H468 N42 O41.76 P36 Pd12 Tl6 -","6","0.166667","","Vincent J. Catalano; Byron L. Bennett; Renante L. Yson; Bruce C. Noll","Synthesis and Characterization of Pd(0) and Pt(0) Metallocryptands Encapsulating Tl+ Ion","Journal of the American Chemical Society","2000","122","","10056","10062","10.1021/ja001672s","","","0.71073","MoKα","","0.1167","0.0816","","","0.2356","0.2498","","","","","","1.579","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00","" "4116190","19.3694","0.0001","19.3694","0.0001","51.9258","0.0002","90","","90","","120","","16871.2","0.14","138","2","293","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","2","","","- C126 H78 Cl0 N7 O7 P6 Pt2 Tl -","- C125.76 H78 N7 O6.96 P6 Pt2 Tl -","- C754.56 H468 N42 O41.76 P36 Pt12 Tl6 -","6","0.166667","","Vincent J. Catalano; Byron L. Bennett; Renante L. Yson; Bruce C. Noll","Synthesis and Characterization of Pd(0) and Pt(0) Metallocryptands Encapsulating Tl+ Ion","Journal of the American Chemical Society","2000","122","","10056","10062","10.1021/ja001672s","","","0.71073","MoKα","","0.0752","0.0436","","","0.1312","0.1445","","","","","","1.102","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00","" "4116850","10.775","0.002","10.775","0.002","60.398","0.012","90","","90","","120","","6073","2","294","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C38 H36 Br5 Cu2 P2 -","- C38 H48 Br5 Cu2 P2 -","- C228 H288 Br30 Cu12 P12 -","6","0.166667","","Caitlin Horn; Ian Dance; Don Craig; Marcia Scudder; Graham Bowmaker","A Short but Weak Cu-Cu Interaction in [Cu2Br5]2-, a Crystal Engineered (Cu1.5+)2 Confacial Bitetrahedral Complex","Journal of the American Chemical Society","1998","120","","10549","10550","10.1021/ja981960c","","","0.71073","MoKα","","","0.034","","","","0.043","","","","","","1.58","","","","has coordinates","178939","2020-10-21","18:00:00","" "4117195","18.984","0.003","18.984","","36.256","0.005","90","","90","","120","","11316","2","294.2","","294.2","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C60 H96 In N11 O24 P6 -","- C60 H90 In0.167 N9.666 O24 P6 -","- C360 H540 In1.002 N57.996 O144 P36 -","6","0.166667","","Lowe, Mark P.; Rettig, Steven J.; Orvig, Chris","Highly Symmetric Group 13 Metal-Phosphinato Complexes: Multinuclear NMR (27Al,31P,71Ga) Determination of Stability Constants at Low pH","Journal of the American Chemical Society","1996","118","43","10446","10456","10.1021/ja961633+","","","1.5418","CuKα","","","0.0404","","","0.0386","","","","","1.69","1.69","","","","","has coordinates","270163","2021-10-29","12:05:45","" "4117667","32.2214","0.0003","32.2214","0.0003","92.442","0.002","90","","90","","120","","83117","2","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H58 In2 Mg2 N0 O26 -","- C72 H40 In2 Mg2 O26 -","- C1296 H720 In36 Mg36 O468 -","18","0.5","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0583","0.0433","","","0.122","0.1264","","","","","","0.993","","","","has coordinates","178947","2020-10-21","18:00:00","" "4118945","14.26","0.0017","14.26","0.0017","41.443","0.008","90","","90","","120","","7298.3","1.9","45","2","45","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C8 H14 Fe2 N O12 -","- C8 H14 Fe2 N O12 -","- C144 H252 Fe36 N18 O216 -","18","0.5","","Laura Cañadillas-Delgado; Oscar Fabelo; J. Alberto Rodríguez-Velamazán; Marie-Hélène Lemée-Cailleau; Sax A. Mason; Emilio Pardo; Francesc Lloret; Jiong-Peng Zhao; Xian-He Bu; Virginie Simonet; Claire V. Colin; Juan Rodríguez-Carvajal","The Role of Order-Disorder Transitions in the Quest for Molecular Multiferroics: Structural and Magnetic Neutron Studies of a Mixed Valence Iron(II)-Iron(III) Formate Framework","Journal of the American Chemical Society","2012","134","","19772","19781","10.1021/ja3082457","","neutron","1.1675","neutron","","0.0453","0.037","","","0.0676","0.0703","","","","","","1.088","","","","has coordinates","178960","2020-10-21","18:00:00","" "4119342","36","0.016","36","0.016","16.05","0.008","90","","90","","120","","18014","14","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C34 H44 N4 O8 Pd2 -","- C34 H44 N4 O8 Pd2 -","- C612 H792 N72 O144 Pd36 -","18","0.5","","Shu-Yu Zhang; Gang He; William A. Nack; Yingsheng Zhao; Qiong Li; Gong Chen","Palladium-Catalyzed Picolinamide-Directed Alkylation of Unactivated C(sp3)-H Bonds with Alkyl Iodides","Journal of the American Chemical Society","2013","135","","2124","2127","10.1021/ja312277g","","","0.71073","MoKα","","0.1211","0.0861","","","0.1912","0.2106","","","","","","1.172","","","","has coordinates","178964","2020-10-21","18:00:00","" "4119359","26.419","0.004","26.419","0.004","21.487","0.004","90","","90","","120","","12988","4","180","2","180","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C29 H34 N6 O9 Zn -","- C26 H22 N6 O6 Zn -","- C468 H396 N108 O108 Zn18 -","18","0.5","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","0.71073","MoKα","","0.1593","0.1377","","","0.3237","0.3421","","","","","","0.952","","","","has coordinates","176432","2020-10-21","18:00:00","" "4119869","26.8784","0.0009","26.8784","0.0009","15.4839","0.0005","90","","90","","120","","9687.6","0.6","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","Mn2(DSBDC)","","","- C7.33 H8.78 Mn N1.11 O3.31 S -","- C7.34 H8.68 Mn N1.17 O3.295 S -","- C264.24 H312.48 Mn36 N42.12 O118.62 S36 -","36","1","","Lei Sun; Tomoyo Miyakai; Shu Seki; Mircea Dincă","Mn2(2,5-disulfhydrylbenzene-1,4-dicarboxylate): A Microporous Metal-Organic Framework with Infinite (-Mn-S-)\ιnftyChains and High Intrinsic Charge Mobility","Journal of the American Chemical Society","2013","135","","8185","8188","10.1021/ja4037516","","","0.71073","MoKα","","0.0351","0.0313","","","0.1019","0.1049","","","","","","1.126","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00","" "4120171","8.6386","0.0005","8.6386","0.0005","21.963","0.002","90","","90","","120","","1419.41","0.17","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.4 Ba2 Zn2.6 -","- Au6.402 Ba2 Zn2.598 -","- Au38.412 Ba12 Zn15.588 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.0359","0.0311","","","0.0726","0.0746","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00","" "4120172","8.6645","0.0012","8.6645","0.0012","22.325","0.005","90","","90","","120","","1451.5","0.4","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au7.97 Ba2 Zn1.03 -","- Au7.968 Ba2 Zn1.032 -","- Au47.808 Ba12 Zn6.192 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.0517","0.0351","","","0.0716","0.0771","","","","","","1.038","","","","has coordinates","178978","2020-10-21","18:00:00","" "4120173","8.8112","0.0005","8.8112","0.0005","22.308","0.003","90","","90","","120","","1499.9","0.2","273","2","273","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au8.06 Ba2 Sn0.94 -","- Au8.058 Ba2 Sn0.942 -","- Au48.348 Ba12 Sn5.652 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.0299","0.0227","","","0.0471","0.0492","","","","","","1.065","","","","has coordinates","178978","2020-10-21","18:00:00","" "4120174","8.6747","0.0005","8.6747","0.0005","22.004","0.005","90","","90","","120","","1434","0.3","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au7.11 Ba2 Zn1.89 -","- Au7.113 Ba2 Zn1.887 -","- Au42.678 Ba12 Zn11.322 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.031","0.0231","","","0.0392","0.0408","","","","","","1.07","","","","has coordinates","178978","2020-10-21","18:00:00","" "4120175","8.6762","0.0006","8.6762","0.0006","22.238","0.002","90","","90","","120","","1449.72","0.19","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au7.89 Ba2 Zn1.11 -","- Au7.89 Ba2 Zn1.11 -","- Au47.34 Ba12 Zn6.66 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.0561","0.0411","","","0.0774","0.0821","","","","","","1.112","","","","has coordinates","178978","2020-10-21","18:00:00","" "4120176","8.8352","0.0004","8.8352","0.0004","22.51","0.001","90","","90","","120","","1521.73","0.12","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.94 Ba2 Cd2.06 -","- Au6.945 Ba2 Cd2.055 -","- Au41.67 Ba12 Cd12.33 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.0284","0.0205","","","0.0426","0.044","","","","","","1.018","","","","has coordinates","178978","2020-10-21","18:00:00","" "4120177","8.7186","0.0008","8.7186","0.0008","21.816","0.002","90","","90","","120","","1436.1","0.2","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.81 Ba2 Ga2.19 -","- Au6.81 Ba2 Ga2.19 -","- Au40.86 Ba12 Ga13.14 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.0299","0.0225","","","0.0443","0.0455","","","","","","0.941","","","","has coordinates","178978","2020-10-21","18:00:00","" "4120178","8.8478","0.0008","8.8478","0.0008","22.487","0.003","90","","90","","120","","1524.5","0.3","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.97 Ba2 In2.03 -","- Au6.969 Ba2 In2.031 -","- Au41.814 Ba12 In12.186 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.0328","0.0234","","","0.0412","0.0431","","","","","","0.976","","","","has coordinates","178978","2020-10-21","18:00:00","" "4120619","8.4475","0.0012","8.4475","0.0012","21.735","0.004","90","","90","","120","","1343.2","0.4","298","2","298","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Al2.82 Au6.18 Sr2 -","- Al2.817 Au6.183 Sr2 -","- Al16.902 Au37.098 Sr12 -","6","0.166667","","Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J.","Turning Gold into ""Diamond"": A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr-Al-Au System.","Journal of the American Chemical Society","2014","136","8","3108","","10.1021/ja411150e","","","0.71073","MoKα","","0.0515","0.0449","","","0.0981","0.1003","","","","","","1.178","","","","has coordinates","178983","2020-10-21","18:00:00","" "4122809","45.6636","0.0006","45.6636","0.0006","151.631","0.003","90","","90","","120","","273816","7","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C660 H988 Dy19 N96 O162.5 -","- C660 H967.01 Dy19 N96 O162.47 -","- C7920 H11604.1 Dy228 N1152 O1949.64 -","12","0.333333","","D'Alessio, Daniel; Sobolev, Alexandre N.; Skelton, Brian W.; Fuller, Rebecca O.; Woodward, Robert C.; Lengkeek, Nigel A.; Fraser, Benjamin H.; Massi, Massimiliano; Ogden, Mark I.","Lanthanoid ""bottlebrush"" clusters: remarkably elongated metal-oxo core structures with controllable lengths.","Journal of the American Chemical Society","2014","136","43","15122","15125","10.1021/ja506677h","","","1.54178","CuKα","","0.1449","0.1043","","","0.2847","0.3124","","","","","","1.268","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4122962","14.2235","0.0011","14.2235","0.0011","64.483","0.005","90","","90","","120","","11297.7","1.5","100","0.5","100","0.5","","","","","","","","6","R -3 c :H","-R 3 2""c","167","holkg14","","","- C66 H81 Cl Cs2 Fe3 N10 -","- C66 H81 Cl0.9999 Cs2 Fe3 N10.0002 -","- C396 H486 Cl5.9994 Cs12 Fe18 N60.0012 -","6","0.166667","","Grubel, Katarzyna; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Alkali Metal Control over N-N Cleavage in Iron Complexes.","Journal of the American Chemical Society","2014","","","141120101403003","","10.1021/ja507442b","","","0.71073","MoKα","","0.0707","0.037","","","0.0911","0.1122","","","","","","1.021","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00","" "4122963","14.202","0.003","14.202","0.003","64.058","0.015","90","","90","","120","","11189","4","100","0.5","100","0.5","","","","","","","","5","R -3 c :H","-R 3 2""c","167","holkg15","","","- C66 H81 Fe3 N12 Rb2 -","- C66 H81 Fe3 N12 Rb2 -","- C396 H486 Fe18 N72 Rb12 -","6","0.166667","","Grubel, Katarzyna; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Alkali Metal Control over N-N Cleavage in Iron Complexes.","Journal of the American Chemical Society","2014","","","141120101403003","","10.1021/ja507442b","","","0.71073","MoKα","","0.1641","0.0912","","","0.2138","0.2472","","","","","","1.185","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00","" "4122964","14.218","0.003","14.218","0.003","64.509","0.013","90","","90","","120","","11293","4","100","0.5","100","0.5","","","","","","","","5","R -3 c :H","-R 3 2""c","167","holkg16","","","- C66 H81 Cs2 Fe3 N12 -","- C66 H81 Cs2 Fe3 N12 -","- C396 H486 Cs12 Fe18 N72 -","6","0.166667","","Grubel, Katarzyna; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Alkali Metal Control over N-N Cleavage in Iron Complexes.","Journal of the American Chemical Society","2014","","","141120101403003","","10.1021/ja507442b","","","0.71073","MoKα","","0.1091","0.0431","","","0.0925","0.1188","","","","","","0.998","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00","" "4123934","9.957","","9.957","","54.55","","90","","90","","120","","4683.63","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Cs5 ((Re Br)6 S8) Br","","- Br7 Cs5 Re6 S8 -","- Br7 Cs5 Re6 S8 -","- Br42 Cs30 Re36 S48 -","6","0.166667","","Long, J.R.; McCarty, L.S.; Holm, R.H.","A solid-state route to molecular clusters: access to the solution chemistry of (Re6 Q8)(2+) (Q = S, Se) core-containing clusters via dimensional reduction","Journal of the American Chemical Society","1996","118","","4603","4616","","","","","","","","","","","","","","","","","","","","","","has coordinates","141214","2020-10-21","18:00:00","" "4124451","7.458","","7.458","","11.818","","90","","90","","120","","569.271","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","K H3 F4","","- F4 H3 K -","- F4 H3 K -","- F24 H18 K6 -","6","0.166667","","Mootz, D.; Boenigk, D.","Fluorides and fluoro acids. 12. Complex-anion homology and isomerism in the crystal structures of two potassium poly(hydrogen fluorides), K F (H F)2.5 and K F (H F)3","Journal of the American Chemical Society","1986","108","","6634","6636","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4125187","12","0.003","12","0.003","13.147","0.004","90","","90","","120","","1639.5","0.8","200","2","200","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ca6 N2 Te3 -","- Ca6 N2 Te3 -","- Ca36 N12 Te18 -","6","0.166667","","Dickman, Matthew J.; Latturner, Susan E.","Metal nitrides grown from Ca/Li flux: Ca6Te3N2 and new nitridoferrate(I) Ca6(LixFe1-x)Te2N3.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b06024","","","0.71073","MoKα","","0.012","0.0111","","","0.0246","0.0249","","","","","","1.091","","","","has coordinates","270074","2021-10-24","17:53:43","" "4125909","38.284","0.005","38.284","0.005","47.377","0.009","90","","90","","120","","60136","16","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C136.67 H109.67 B3 Cl5 N3 -","- C136.667 H109.667 B3 Cl5 N3 -","- C2460 H1974 B54 Cl90 N54 -","18","0.5","","Marinelli, Davide; Fasano, Francesco; Najjari, Btissam; Demitri, Nicola; Bonifazi, Davide","Borazino-Doped Polyphenylenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01477","","","0.7","Synchrotron","","0.1551","0.1438","","","0.3349","0.3418","","","","","","1.081","","","","has coordinates,has disorder","195216","2020-10-21","18:00:00","" "4126440","15.28","0.001","15.28","0.001","76.328","0.011","90","","90","","120","","15433","3","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H108 Cl3 Mn7 N24 O27 -","- C72 H108 Cl3 Mn7 N24 O27 -","- C432 H648 Cl18 Mn42 N144 O162 -","6","0.166667","","Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Core-Shell {Mn7⊆(Mn,Cd)12} Assembled from Core {Mn7} Disc.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08679","","","0.71073","MoKα","","0.0965","0.0725","","","0.1982","0.2161","","","","","","1.128","","","","has coordinates","201124","2020-10-21","18:00:00","" "4128118","42.046","0.0001","42.046","0.0001","107.4786","0.0004","90","","90","","120","","164552","0.8","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C196 H180 Fe4 N63 O37.17 P4.67 S4 -","- C196 H138 Fe4 N63 O29.1667 P4.66667 S2 -","- C3528 H2484 Fe72 N1134 O525 P84 S36 -","18","0.5","","McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Phosphine Cages Controls Host-Guest Behavior.","Journal of the American Chemical Society","2019","141","17","6837","6842","10.1021/jacs.9b02604","","","0.6889","Synchrotron","","0.1191","0.1045","","","0.3225","0.3396","","","","","","1.306","","","","has coordinates,has disorder","221248","2020-10-21","18:00:00","" "4128234","25.075","0.0002","25.075","0.0002","57.2801","0.0007","90","","90","","120","","31190.1","0.5","123","2","123","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C87 H75 Mo9 N3 O31 P4 -","- C87 H75 Mo9 N3 O31 P4 -","- C1044 H900 Mo108 N36 O372 P48 -","12","0.333333","","Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands.","Journal of the American Chemical Society","2019","141","19","7687","7692","10.1021/jacs.9b02541","","","0.71069","MoKα","","0.0801","0.056","","","0.1641","0.1865","","","","","","1.075","","","","has coordinates","221363","2020-10-21","18:00:00","" "4128941","17.3148","0.0008","17.3148","0.0008","37.394","0.002","90","","90","","120","","9708.8","0.8","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H19 Br2 N O2 -","- C24 H19 Br2 N O2 -","- C432 H342 Br36 N18 O36 -","18","0.5","","Niyas, M. A.; Ramakrishnan, Remya; Vijay, Vishnu; Sebastian, Ebin; Hariharan, Mahesh","Anomalous Halogen-Halogen Interaction Assists Radial Chromophoric Assembly.","Journal of the American Chemical Society","2019","141","11","4536","4540","10.1021/jacs.8b13754","","","0.71073","MoKα","","0.1329","0.0685","","","0.1767","0.2334","","","","","","1.024","","","","has coordinates","221976","2020-10-21","18:00:00","" "4129342","24.7411","0.0013","24.7411","0.0013","109.349","0.006","90","","90","","120","","57967","5","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C134 H179 Co4 N52 O15.5 S12 -","- C133.98 H168 Co4 N52 O15.49 S12 -","- C1607.76 H2016 Co48 N624 O185.88 S144 -","12","0.333333","","Jing, Xu; He, Cheng; Yang, Yang; Duan, Chunying","A metal-organic tetrahedron as a redox vehicle to encapsulate organic dyes for photocatalytic proton reduction.","Journal of the American Chemical Society","2015","137","11","3967","3974","10.1021/jacs.5b00832","","","0.71073","MoKα","","0.1154","0.0735","","","0.2174","0.2339","","","","","","1.016","","","","has coordinates,has disorder","240077","2020-10-21","18:00:00","" "4129952","13.569","0.004","13.569","0.004","51.339","0.007","90","","90","","120","","8186","4","93","2","93","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C49 H61 Cl3 N6 Na O6 Rh2 -","- C49 H61 Cl2.9998 N6 Na O6 Rh2 -","- C294 H366 Cl17.9988 N36 Na6 O36 Rh12 -","6","0.166667","","Sinha, Shashi B.; Shopov, Dimitar Y.; Sharninghausen, Liam S.; Vinyard, David J.; Mercado, Brandon Q.; Brudvig, Gary W.; Crabtree, Robert H.","A Stable Coordination Complex of Rh(IV) in an N,O-Donor Environment.","Journal of the American Chemical Society","2015","137","50","15692","15695","10.1021/jacs.5b12148","","","0.71075","MoKα","","0.09","0.0644","","","0.125","0.1345","","","","","","1.137","","","","has coordinates","240569","2020-10-21","18:00:00","" "4130301","22.9556","0.0013","22.9556","0.0013","15.883","0.002","90","","90","","120","","7248.4","1.1","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C24 H6 O18 Zn6 -","- C24 H6 O18 Zn6 -","- C144 H36 O108 Zn36 -","6","0.166667","","Luo, Feng; Yan, Changsheng; Dang, Lilong; Krishna, Rajamani; Zhou, Wei; Wu, Hui; Dong, Xinglong; Han, Yu; Hu, Tong-Liang; O'Keeffe, Michael; Wang, Lingling; Luo, Mingbiao; Lin, Rui-Biao; Chen, Banglin","UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation.","Journal of the American Chemical Society","2016","138","17","5678","5684","10.1021/jacs.6b02030","","","0.71073","MoKα","","0.144","0.1221","","","0.2445","0.2588","","","","","","0.915","","","","has coordinates","240782","2020-10-21","18:00:00","" "4130302","22.9511","0.0008","22.9511","0.0008","15.8965","0.0011","90","","90","","120","","7251.7","0.6","120","2","120","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C27 H6 O24 Zn6 -","- C27 H6 O24 Zn6 -","- C162 H36 O144 Zn36 -","6","0.166667","","Luo, Feng; Yan, Changsheng; Dang, Lilong; Krishna, Rajamani; Zhou, Wei; Wu, Hui; Dong, Xinglong; Han, Yu; Hu, Tong-Liang; O'Keeffe, Michael; Wang, Lingling; Luo, Mingbiao; Lin, Rui-Biao; Chen, Banglin","UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation.","Journal of the American Chemical Society","2016","138","17","5678","5684","10.1021/jacs.6b02030","","","0.71073","MoKα","","0.1812","0.1631","","","0.3024","0.3099","","","","","","1.282","","","","has coordinates","240783","2020-10-21","18:00:00","" "4130303","22.917","0.0004","22.917","0.0004","15.9024","0.0005","90","","90","","120","","7232.8","0.3","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C12 H3 O10.5 Zn3 -","- C12 H3 O10.5 Zn3 -","- C144 H36 O126 Zn36 -","12","0.333333","","Luo, Feng; Yan, Changsheng; Dang, Lilong; Krishna, Rajamani; Zhou, Wei; Wu, Hui; Dong, Xinglong; Han, Yu; Hu, Tong-Liang; O'Keeffe, Michael; Wang, Lingling; Luo, Mingbiao; Lin, Rui-Biao; Chen, Banglin","UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation.","Journal of the American Chemical Society","2016","138","17","5678","5684","10.1021/jacs.6b02030","","","0.71073","MoKα","","0.0795","0.0772","","","0.1717","0.1727","","","","","","1.215","","","","has coordinates","240784","2020-10-21","18:00:00","" "4130415","15.835","0.002","15.835","0.002","27.47","0.006","90","","90","","120","","5965.2","1.7","173","2","173.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C39 H60 Fe O3 P2 -","- C39 H60 Fe O3 P2 -","- C234 H360 Fe6 O18 P12 -","6","0.166667","","Lang, Georgette M.; Shima, Takanori; Wang, Leyong; Cluff, Kyle J.; Skopek, Katrin; Hampel, Frank; Blümel, Janet; Gladysz, John A.","Gyroscope-Like Complexes Based on Dibridgehead Diphosphine Cages That Are Accessed by Three-Fold Intramolecular Ring Closing Metatheses and Encase Fe(CO)3, Fe(CO)2(NO)(+), and Fe(CO)3(H)(+) Rotators.","Journal of the American Chemical Society","2016","138","24","7649","7663","10.1021/jacs.6b03178","","","0.71073","MoKα","","0.08","0.0527","","","0.1115","0.1214","","","","","","1.085","","","","has coordinates","240856","2020-10-21","18:00:00","" "4130630","17.3577","0.0003","17.3577","0.0003","104.263","0.002","90","","90","","120","","27204.8","0.8","120","","120","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C96 H84 B6 Co2 F24 N18 -","- C84 H66 B6 Co2 F24 N12 -","- C1008 H792 B72 Co24 F288 N144 -","12","0.333333","","Burke, Michael J.; Nichol, Gary S.; Lusby, Paul J.","Orthogonal Selection and Fixing of Coordination Self-Assembly Pathways for Robust Metallo-organic Ensemble Construction.","Journal of the American Chemical Society","2016","138","29","9308","9315","10.1021/jacs.6b05364","","x-ray","1.54178","CuKα","","0.0865","0.0769","","","0.2137","0.2237","","","","","","1.047","","","","has coordinates","241023","2020-10-21","18:00:00","" "4130631","20.5996","0.0002","20.5996","0.0002","195.2193","0.0018","90","","90","","120","","71741.6","1.2","120","","120","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C168 H132 Co4 F72 N24 P12 -","- C168 H132 Co4 F72.0002 N24 P12.5 -","- C2016 H1584 Co48 F864.002 N288 P150 -","12","0.333333","","Burke, Michael J.; Nichol, Gary S.; Lusby, Paul J.","Orthogonal Selection and Fixing of Coordination Self-Assembly Pathways for Robust Metallo-organic Ensemble Construction.","Journal of the American Chemical Society","2016","138","29","9308","9315","10.1021/jacs.6b05364","","x-ray","1.54184","CuKα","","0.1153","0.0911","","","0.2689","0.2877","","","","","","1.069","","","","has coordinates,has disorder","241024","2020-10-21","18:00:00","" "4131485","38.8188","0.0008","38.8188","0.0008","111.372","0.003","90","","90","","120","","145342","6","100","2","100","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C435 H344.5 B8 F32 Fe4 N54.5 Ni6 O13 -","- C434.995 H344.5 B3 F12 Fe4 N54.5001 Ni6 O13.0002 -","- C5219.94 H4134.01 B36 F144 Fe48 N654.001 Ni72 O156.002 -","12","0.333333","","Rizzuto, Felix J.; Wood, Daniel M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Tuning the Redox Properties of Fullerene Clusters within a Metal-Organic Capsule.","Journal of the American Chemical Society","2017","139","32","11008","11011","10.1021/jacs.7b05788","","","0.6889","Synchrotron","","0.1546","0.1424","","","0.3763","0.3879","","","","","","1.148","","","","has coordinates,has disorder","241675","2020-10-21","18:00:00","" "4131883","31.446","0.006","31.446","0.006","49.095","0.009","90","","90","","120","","42043","14","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C252 H246 Ag26 P6 Pt S18 -","- C252 H246 Ag26 P6 Pt S18 -","- C1512 H1476 Ag156 P36 Pt6 S108 -","6","0.166667","","He, Lizhong; Yuan, Jinyun; Xia, Nan; Liao, Lingwen; Liu, Xu; Gan, Zibao; Wang, Chengming; Yang, Jinlong; Wu, Zhikun","Kernel Tuning and Nonuniform Influence on Optical and Electrochemical Gaps of Bimetal Nanoclusters.","Journal of the American Chemical Society","2018","140","10","3487","3490","10.1021/jacs.7b12083","","","0.71073","MoKα","","0.0626","0.0521","","","0.1195","0.1262","","","","","","1.107","","","","has coordinates","241977","2020-10-21","18:00:00","" "4131935","18.626","0.003","18.626","0.003","55.983","0.011","90","","90","","120","","16820","5","100","","100","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C57 H72 Ce N9 -","- C57 H72 Ce N9 -","- C684 H864 Ce12 N108 -","12","0.333333","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.0479","0.0375","","","0.0978","0.1051","","","","","","1.12","","","","has coordinates","242011","2020-10-21","18:00:00","" "4132282","27.366","0.0007","27.366","0.0007","26.318","0.0008","90","","90","","120","","17068.9","0.8","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C30 H60 Cl2 O6 P2 Pt -","- C30 H60 Cl2 O6 P2 Pt -","- C540 H1080 Cl36 O108 P36 Pt18 -","18","0.5","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH2) mCH═CH2)3 (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","0.71073","MoKα","","0.1032","0.0608","","","0.1546","0.1813","","","","","","1.046","","","","has coordinates","242279","2020-10-21","18:00:00","" "4132995","42.0383","0.0012","42.0383","0.0012","42.3916","0.0014","90","","90","","120","","64878","3","100","2","100","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C288 H312 Mn24 O96 -","- C288 H312 Mn24 O96 -","- C1728 H1872 Mn144 O576 -","6","0.166667","","Rathnayake, Asanka S.; Fraser, Hector W. L.; Brechin, Euan K.; Dalgarno, Scott J.; Baumeister, Jakob E.; Rungthanaphatsophon, Pokpong; Walensky, Justin R.; Barnes, Charles L.; Atwood, Jerry L.","Oxidation State Distributions Provide Insight into Parameters Directing the Assembly of Metal-Organic Nanocapsules.","Journal of the American Chemical Society","2018","140","40","13022","13027","10.1021/jacs.8b07775","","","1.54178","CuKα","","0.1634","0.1393","","","0.3894","0.458","","","","","","2.179","","","","has coordinates,has disorder","242847","2020-10-21","18:00:00","" "4132996","42.319","0.0008","42.319","0.0008","43.0661","0.0013","90","","90","","120","","66794","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C288 H312 Cl8 Mn24 O102 -","- C288 H312 Cl8 Mn24 O102 -","- C1728 H1872 Cl48 Mn144 O612 -","6","0.166667","","Rathnayake, Asanka S.; Fraser, Hector W. L.; Brechin, Euan K.; Dalgarno, Scott J.; Baumeister, Jakob E.; Rungthanaphatsophon, Pokpong; Walensky, Justin R.; Barnes, Charles L.; Atwood, Jerry L.","Oxidation State Distributions Provide Insight into Parameters Directing the Assembly of Metal-Organic Nanocapsules.","Journal of the American Chemical Society","2018","140","40","13022","13027","10.1021/jacs.8b07775","","x-ray","1.54178","CuKα","","0.2219","0.1329","","","0.348","0.4024","","","","","","1.238","","","","has coordinates","242848","2020-10-21","18:00:00","" "4133064","28.5598","0.0009","28.5598","0.0009","73.154","0.004","90","","90","","120","","51675","4","229.9","","229.91","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C150 H225 Ag7.85 Au15.15 S15 -","- C150 H225 Ag7.42 Au15.58 S15 -","- C1800 H2700 Ag89.04 Au186.96 S180 -","12","0.333333","","Li, Yingwei; Luo, Tian-Yi; Zhou, Meng; Song, Yongbo; Rosi, Nathaniel L.; Jin, Rongchao","A Correlated Series of Au/Ag Nanoclusters Revealing the Evolutionary Patterns of Asymmetric Ag Doping.","Journal of the American Chemical Society","2018","140","43","14235","14243","10.1021/jacs.8b08335","","x-ray","1.54178","CuKα","","0.0866","0.0619","","","0.1557","0.1741","","","","","","1.071","","","","has coordinates","242910","2020-10-21","18:00:00","" "4133988","43.2323","0.0018","43.2323","0.0018","76.187","0.003","90","","90","","120","","123318","9","150","2","149.96","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C228 H206 B7 F28 N26 Pd12 S12 -","- C228 H206 B7 F28 N26 Pd12 S12 -","- C4104 H3708 B126 F504 N468 Pd216 S216 -","18","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0836","0.0629","","","0.1733","0.1941","","","","","","1.024","","","","has coordinates,has disorder","247124","2020-10-21","18:00:00","" "4133989","43.39","0.002","43.39","0.002","75.917","0.004","90","","90","","120","","123780","10","153","2","153.38","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C224 H198 B6 F24 N24 Pt12 S12 -","- C224 H198 B6 F24 N24 Pt12 S12 -","- C4032 H3564 B108 F432 N432 Pt216 S216 -","18","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0705","0.0506","","","0.1325","0.1544","","","","","","1.058","","","","has coordinates,has disorder","247125","2020-10-21","18:00:00","" "4133993","42.847","0.005","42.847","0.005","76.037","0.009","90","","90","","120","","120892","2","164","2","163.76","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C212 H188 B4 F16 N36 Pt12 S12 -","- C212 H188 B4 F16 N36 Pt12 S12 -","- C3816 H3384 B72 F288 N648 Pt216 S216 -","18","0.5","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0964","0.0597","","","0.1601","0.2032","","","","","","1.046","","","","has coordinates,has disorder","247129","2020-10-21","18:00:00","" "4133997","42.816","0.0019","42.816","0.0019","76.435","0.003","90","","90","","120","","121349","9","150","2","150.01","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C436 H398 B12 F48 N77 Pd24 S24 -","- C436 H398 B12 F48 N77 Pd24 S24 -","- C3924 H3582 B108 F432 N693 Pd216 S216 -","9","0.25","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.1173","0.0733","","","0.2","0.2603","","","","","","1.055","","","","has coordinates,has disorder","247133","2020-10-21","18:00:00","" "4135152","22.8252","0.0011","22.8252","0.0011","53.979","0.003","90","","90","","120","","24355","2","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C78.92 H95.01 F3 Fe4 N8 O4.98 S5 -","- C78.9672 H94.827 F2.9997 Fe3.9999 N7.9998 O4.9917 S4.9999 -","- C947.606 H1137.92 F35.9964 Fe47.9988 N95.9976 O59.9004 S59.9988 -","12","0.333333","","Brown, Alexandra C.; Suess, Daniel L. M.","Reversible Formation of Alkyl Radicals at [Fe4S4] Clusters and Its Implications for Selectivity in Radical SAM Enzymes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05590","","","0.71073","MoKα","","0.0542","0.0351","","","0.0806","0.095","","","","","","1.139","","","","has coordinates,has disorder","255132","2020-10-21","18:00:00","" "4135155","18.8513","0.0002","18.8513","0.0002","49.401","0.0006","90","","90","","120","","15203.7","0.3","253","1","253","1","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C86 H51 Cu13 N13 O12 S12 -","- C84 H48 Cu13 N12 O12 S12 -","- C504 H288 Cu78 N72 O72 S72 -","6","0.166667","","Han, Haixiang; Yao, Yuan; Bhargava, Anuj; Wei, Zheng; Tang, Zhichu; Suntivich, Jin; Voznyy, Oleksandr; Robinson, Richard D.","Tertiary Hierarchical Complexity in Assemblies of Sulfur-Bridged Metal Chiral Clusters","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04764","","","1.54184","CuKα","","0.1059","0.1021","","","0.2905","0.2953","","","","","","1.109","","","","has coordinates","255296","2020-10-21","18:00:00","" "4135538","39.4711","0.0003","39.4711","0.0003","66.5589","0.0007","90","","90","","120","","89803.9","1.4","149.99","0.11","149.99","0.11","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C428 H462 B F4 N96 O2 Pd12 -","- C428 H462 B F3.9998 N96 O2 Pd12 -","- C2568 H2772 B6 F23.9988 N576 O12 Pd72 -","6","0.166667","","Cai, Li-Xuan; Yan, Dan-Ni; Cheng, Pei-Ming; Xuan, Jin-Jin; Li, Shao-Chuan; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu","Controlled Self-Assembly and Multistimuli-Responsive Interconversions of Three Conjoined Twin-Cages.","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12064","","","1.3405","GaKα","","0.1149","0.0877","","","0.2513","0.2951","","","","","","1.048","","","","has coordinates","261122","2021-01-21","23:57:08","" "4135541","39.5433","0.0014","39.5433","0.0014","65.854","0.002","90","","90","","120","","89178","5","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C408 H432 B F4 N96 O0 Pd12 -","- C408 H432 B F3.9998 N96 Pd12 -","- C2448 H2592 B6 F23.9988 N576 Pd72 -","6","0.166667","","Cai, Li-Xuan; Yan, Dan-Ni; Cheng, Pei-Ming; Xuan, Jin-Jin; Li, Shao-Chuan; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu","Controlled Self-Assembly and Multistimuli-Responsive Interconversions of Three Conjoined Twin-Cages.","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12064","","","0.71073","MoKα","","0.1177","0.0782","","","0.2298","0.2553","","","","","","1.591","","","","has coordinates","261125","2021-01-21","23:59:31","" "4300065","21.076","0.003","21.076","0.003","75.848","0.015","90","","90","","120","","29178","8","153","2","153","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C72 H60 Br Mo3 N3 P6 S7 Se6 -","- C72 H60 Br Mo3 N3 P6 S7 Se6 -","- C864 H720 Br12 Mo36 N36 P72 S84 Se72 -","12","0.333333","","Virginie Béreau; Christopher G. Pernin; James A. Ibers","Reactivity of the [Mo3(μ3-S)(μ2-S2)3Br6]2- Anion toward the Imidodiphosphinochalcogenido Ligands [N(QPPh2)2]- (Q = S, Se): Synthesis and Characterization of [Mo3(μ3-S)(μ2-S2)3{N(QPPh2)2}3]Br","Inorganic Chemistry","2000","39","","854","856","10.1021/ic9907056","","","0.71073","MoKα","","0.1547","0.0927","","","0.2145","0.2402","","","","","","1.327","","","","has coordinates","179038","2020-10-21","18:00:00","" "4300152","14.927","0.005","14.927","0.005","56.047","0.013","90","","90","","120","","10815","6","153","2","153","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H60 N3 P6 S6 Y -","- C72 H60 N3 P6 S6 Y -","- C432 H360 N18 P36 S36 Y6 -","6","0.166667","","Christopher G. Pernin; James A. Ibers","Soluble Yttrium Chalcogenides: Syntheses, Structures, and NMR Properties of Y[η3-N(SPPh2)2]3 and Y[η2-N(SePPh2)2]2[η3-N(SePPh2)2]","Inorganic Chemistry","2000","39","","1222","1226","10.1021/ic990984x","","","0.71073","MoKα","","0.0822","0.0424","","","0.0797","0.0908","","","","","","0.938","","","","has coordinates","179039","2020-10-21","18:00:00","" "4301074","20.844","0.003","20.844","0.003","163.55","0.05","90","","90","","120","","61538","2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","Ti4L6 Et4N cluster","","","- C182 H111 N17.5 O36 Ti4 -","- C182 H111 N17.5 O36 Ti4 -","- C2184 H1332 N210 O432 Ti48 -","12","0.333333","","Michael D. Pluth; Darren W. Johnson; Géza Szigethy; Anna V. Davis; Simon J. Teat; Allen G. Oliver; Robert G. Bergman; Kenneth N. Raymond","Structural Consequences of Anionic Host-Cationic Guest Interactions in a Supramolecular Assembly","Inorganic Chemistry","2009","48","","111","120","10.1021/ic8012848","","","0.7749","synchrotron","","0.1703","0.1594","","","0.4533","0.4669","","","","","","2.161","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4301076","20.5378","0.0007","20.5378","0.0007","169.966","0.011","90","","90","","120","","62087","5","178","2","178","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","Ti4L6 cluster","","","- C179.75 H96 Co2.5 N16 O56.5 Ti4 -","- C179.6 H96 Co4 N15.99 O52.6 Ti4 -","- C2155.2 H1152 Co48 N191.88 O631.2 Ti48 -","12","0.333333","","Michael D. Pluth; Darren W. Johnson; Géza Szigethy; Anna V. Davis; Simon J. Teat; Allen G. Oliver; Robert G. Bergman; Kenneth N. Raymond","Structural Consequences of Anionic Host-Cationic Guest Interactions in a Supramolecular Assembly","Inorganic Chemistry","2009","48","","111","120","10.1021/ic8012848","","","0.71073","MoKα","","0.1923","0.1569","","","0.4246","0.4484","","","","","","1.836","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4301188","18.28","0.005","18.28","0.005","90.71","0.05","90","","90","","120","","26251","18","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C60 H57 Co3 F18 N18 O12 P3 -","- C60 H45 Co3 F18 N18 O12 P3 -","- C720 H540 Co36 F216 N216 O144 P36 -","12","0.333333","","Hongmei Wu; Cheng He; Zhihua Lin; Yang Liu; Chunying Duan","Metallohelical Triangles for Selective Detection of Adenosine Triphosphate in Aqueous Media","Inorganic Chemistry","2009","48","","408","410","10.1021/ic801350h","","","0.71073","MoKα","","0.2005","0.0814","","","0.1924","0.2092","","","","","","1.076","","","","has coordinates,has disorder","179049","2020-10-21","18:00:00","" "4301532","9.775","0.01","9.775","0.01","57.35","0.11","90","","90","","120","","4746","11","123","2","123","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Potassium dihydrogentriphosphide 2.3 ammoniate","Trispotassium catena-trans-dihydrogentriphosphide ammonia(1/2.3)","","- H9 K3 N2.33 P3 -","- H8 K3 N2.33333 P3 -","- H144 K54 N42 P54 -","18","0.5","","Florian Kraus; Jürgen C. Aschenbrenner; T. Klamroth; Nikolaus Korber","Hydrogen Polyphosphides P3H23- and P3H32-: Synthesis and Crystal Structure of K3(P3H2).2.3NH3, Rb3(P3H2).NH3, [Rb(18-crown-6)]2(P3H3).7.5NH3, and [Cs(18-crown-6)]2(P3H3).7NH3","Inorganic Chemistry","2009","48","","1911","1919","10.1021/ic8014546","","x-ray","0.71073","MoKα","","0.0871","0.0775","","","0.1981","0.2107","","","","","","1.081","","","","has coordinates","179053","2020-10-21","18:00:00","" "4301771","25.2547","0.0003","25.2547","0.0003","20.6154","0.0005","90","","90","","120","","11386.9","0.3","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","R -3 c :H","-R 3 2""c","167","","","","- C20 H35 Br Ni P2 -","- C20 H35 Br Ni P2 -","- C360 H630 Br18 Ni18 P36 -","18","0.5","","Annie Castonguay; André L. Beauchamp; Davit Zargarian","New Derivatives of PCP-Type Pincer Complexes of Nickel","Inorganic Chemistry","2009","48","","3177","3184","10.1021/ic801641u","","","1.54178","CuKα","","0.0517","0.0436","","","0.1517","0.1578","","","","","","1.186","","","","has coordinates","179055","2020-10-21","18:00:00","" "4301978","20.282","0.003","20.282","0.003","83.734","0.012","90","","90","","120","","29830","8","100","2","100","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C93 H72 As3 Cl2 Mn3 N21 O7 Zn2 -","- C93 H72 As3 Cl2 Mn3 N21 O7 Zn2 -","- C1116 H864 As36 Cl24 Mn36 N252 O84 Zn24 -","12","0.333333","","Patrick L. Feng; Changhyun Koo; John J. Henderson; Motohiro Nakano; Stephen Hill; Enrique del Barco; David N. Hendrickson; Paul Manning","Nanomodulation of Molecular Nanomagnets","Inorganic Chemistry","2009","48","","3480","3492","10.1021/ic802336k","","","0.71073","MoKα","","0.0599","0.0556","","","0.1496","0.1532","","","","","","1.076","","","","has coordinates","179057","2020-10-21","18:00:00","" "4302003","18.8698","0.0012","18.8698","0.0012","9.7902","0.0013","90","","90","","120","","3019","0.5","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C4 H6 F N3 Zn -","- C4 H6 F N3 Zn -","- C72 H108 F18 N54 Zn18 -","18","0.5","","Ai-Xin Zhu; Jian-Bin Lin; Jie-Peng Zhang; Xiao-Ming Chen","Isomeric Zinc(II) Triazolate Frameworks with 3-Connected Networks: Syntheses, Structures, and Sorption Properties","Inorganic Chemistry","2009","48","","3882","3889","10.1021/ic802446m","","","0.71073","MoKα","","0.0289","0.0264","","","0.0662","0.0679","","","","","","1.11","","","","has coordinates","179058","2020-10-21","18:00:00","" "4302077","17.3818","0.0016","17.3818","0.0016","71.534","0.007","90","","90","","120","","18717","3","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C27 H64 Cu8 F6 O12 P7 S12 -","- C27 H64 Cu8 F6 O12 P7 S12 -","- C324 H768 Cu96 F72 O144 P84 S144 -","12","0.333333","","Ping-Kuei Liao; Bijay Sarkar; Hao-Wei Chang; Ju-Chun Wang; C. W. Liu","Facile Entrapment of a Hydride inside the Tetracapped Tetrahedral CuI8 Cage Inscribed in a S12 Icosahedral Framework","Inorganic Chemistry","2009","48","","4089","4097","10.1021/ic802288p","","","0.71073","MoKα","","0.1221","0.0605","","","0.141","0.1738","","","","","","1.084","","","","has coordinates,has disorder","179058","2020-10-21","18:00:00","" "4302427","13.4384","0.0014","13.4384","0.0014","40.6","0.007","90","","90","","120","","6349.7","1.4","291","2","291","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C30 H26 Cu6 I2 Mo2 N6 O3 S6 -","- C30 H26.0004 Cu6 I2 Mo2 N6 O3 S6 -","- C180 H156.002 Cu36 I12 Mo12 N36 O18 S36 -","6","0.166667","","Zhaorui Pan; Jiao Xu; Hegen Zheng; Kexuan Huang; Yizhi Li; Zijian Guo; Stuart R. Batten","Three New Heterothiometallic Cluster Polymers with Fascinating Topologies","Inorganic Chemistry","2009","48","","5772","5778","10.1021/ic802457j","","","0.71073","MoKα","","0.1007","0.0717","","","0.2555","0.2717","","","","","","1.073","","","","has coordinates","179062","2020-10-21","18:00:00","" "4302567","14.8343","0.0004","14.8343","0.0004","74.26","0.002","90","","90","","120","","14152.1","0.7","120","","120","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C45 H54 Co I N3 P3 -","- C45 H54 Co I N3 P3 -","- C540 H648 Co12 I12 N36 P36 -","12","0.333333","","Bennett P. Greenwood; Scott I. Forman; Gerard T. Rowe; Chun-Hsing Chen; Bruce M. Foxman; Christine M. Thomas","Multielectron Redox Activity Facilitated by Metal-Metal Interactions in Early/Late Heterobimetallics: Co/Zr Complexes Supported by Phosphinoamide Ligands","Inorganic Chemistry","2009","48","","6251","6260","10.1021/ic900552b","","","0.71073","MoKα","","0.0266","0.0227","","0.0662","0.0542","0.0662","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00","" "4303459","26.6256","0.0012","26.6256","0.0012","174.496","0.016","90","","90","","120","","107131","12","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C144 H192 Fe16 N24 O136 S24 -","- C144 H192 Fe16 N24 O136 S24 -","- C1728 H2304 Fe192 N288 O1632 S288 -","12","0.333333","","Ioanna Papadaki; Christos D. Malliakas; Thomas Bakas; Pantelis N. Trikalitis","Molecular Supertetrahedron Decorated with Exposed Sulfonate Groups Built from Mixed-Valence Tetranuclear Fe33+Fe2+(μ3-O)(μ3-SO4)3(-CO2)3 Clusters","Inorganic Chemistry","2009","48","","9968","9970","10.1021/ic901145d","","","0.41328","","","0.1686","0.1102","","","0.2721","0.2921","","","","","","1.154","","","","has coordinates","179072","2020-10-21","18:00:00","" "4303478","13.812","0.0014","13.812","0.0014","121.731","0.01","90","","90","","120","","20112","3","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C54 H80 Fe N22 O17 S -","- C54 H60 Fe N22 O17 S -","- C648 H720 Fe12 N264 O204 S12 -","12","0.333333","","Fuyu Zhuge; Biao Wu; Jianjun Liang; Jin Yang; Yanyan Liu; Chuandong Jia; Christoph Janiak; Ning Tang; Xiao-Juan Yang","Full- or Half-Encapsulation of Sulfate Anion by a Tris(3-pyridylurea) Receptor: Effect of the Secondary Coordination Sphere","Inorganic Chemistry","2009","48","","10249","10256","10.1021/ic9012685","","","0.71073","MoKα","","0.2071","0.0863","","","0.2384","0.2793","","","","","","0.761","","","","has coordinates","179072","2020-10-21","18:00:00","" "4303481","13.9945","0.0009","13.9945","0.0009","116.519","0.016","90","","90","","120","","19763","3","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C54 H72 Fe N16 O16 S -","- C54 H54 Fe N16 O16 S -","- C648 H648 Fe12 N192 O192 S12 -","12","0.333333","","Fuyu Zhuge; Biao Wu; Jianjun Liang; Jin Yang; Yanyan Liu; Chuandong Jia; Christoph Janiak; Ning Tang; Xiao-Juan Yang","Full- or Half-Encapsulation of Sulfate Anion by a Tris(3-pyridylurea) Receptor: Effect of the Secondary Coordination Sphere","Inorganic Chemistry","2009","48","","10249","10256","10.1021/ic9012685","","","0.71073","MoKα","","0.1204","0.0801","","","0.2435","0.2907","","","","","","1.099","","","","has coordinates","179072","2020-10-21","18:00:00","" "4304135","15.0368","0.0007","15.0368","0.0007","56.186","0.005","90","","90","","120","","11001.9","1.2","141","2","141","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C79 H68 La N3 P6 S6 -","- C78 H66 La N3 P6 S6 -","- C468 H396 La6 N18 P36 S36 -","6","0.166667","","Andrew J. Gaunt; Sean D. Reilly; Alejandro E. Enriquez; Brian L. Scott; James A. Ibers; Perumal Sekar; Kieran I. M. Ingram; Nikolas Kaltsoyannis; Mary P. Neu","Experimental and Theoretical Comparison of Actinide and Lanthanide Bonding in M[N(EPR2)2]3 Complexes (M = U, Pu, La, Ce; E = S, Se, Te; R = Ph,iPr, H)","Inorganic Chemistry","2008","47","","29","41","10.1021/ic701618a","","","0.71073","MoKα","","0.0635","0.0305","","","0.0679","0.0702","","","","","","0.723","","","","has coordinates","179079","2020-10-21","18:00:00","" "4304136","15.0053","0.0004","15.0053","0.0004","56.133","0.004","90","","90","","120","","10945.6","0.9","141","2","141","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C79 H68 N3 P6 Pu S6 -","- C79.02 H60 N3 P6 Pu S6 -","- C474.12 H360 N18 P36 Pu6 S36 -","6","0.166667","","Andrew J. Gaunt; Sean D. Reilly; Alejandro E. Enriquez; Brian L. Scott; James A. Ibers; Perumal Sekar; Kieran I. M. Ingram; Nikolas Kaltsoyannis; Mary P. Neu","Experimental and Theoretical Comparison of Actinide and Lanthanide Bonding in M[N(EPR2)2]3 Complexes (M = U, Pu, La, Ce; E = S, Se, Te; R = Ph,iPr, H)","Inorganic Chemistry","2008","47","","29","41","10.1021/ic701618a","","","0.71073","MoKα","","0.0387","0.0255","","","0.0618","0.0657","","","","","","1.129","","","","has coordinates","179079","2020-10-21","18:00:00","" "4304137","15.0131","0.0003","15.0131","0.0003","56.13","0.002","90","","90","","120","","10956.4","0.5","141","2","141","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C79 H68 Ce N3 P6 S6 -","- C78 H66 Ce N3 P6 S6 -","- C468 H396 Ce6 N18 P36 S36 -","6","0.166667","","Andrew J. Gaunt; Sean D. Reilly; Alejandro E. Enriquez; Brian L. Scott; James A. Ibers; Perumal Sekar; Kieran I. M. Ingram; Nikolas Kaltsoyannis; Mary P. Neu","Experimental and Theoretical Comparison of Actinide and Lanthanide Bonding in M[N(EPR2)2]3 Complexes (M = U, Pu, La, Ce; E = S, Se, Te; R = Ph,iPr, H)","Inorganic Chemistry","2008","47","","29","41","10.1021/ic701618a","","","0.71073","MoKα","","0.0454","0.0338","","","0.1039","0.1112","","","","","","0.953","","","","has coordinates","179079","2020-10-21","18:00:00","" "4304138","15.1824","0.0005","15.1824","0.0005","57.129","0.004","90","","90","","120","","11404.3","1","141","2","141","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C79 H68 La N3 P6 Se6 -","- C78 H66 La N3 P6 Se6 -","- C468 H396 La6 N18 P36 Se36 -","6","0.166667","","Andrew J. Gaunt; Sean D. Reilly; Alejandro E. Enriquez; Brian L. Scott; James A. Ibers; Perumal Sekar; Kieran I. M. Ingram; Nikolas Kaltsoyannis; Mary P. Neu","Experimental and Theoretical Comparison of Actinide and Lanthanide Bonding in M[N(EPR2)2]3 Complexes (M = U, Pu, La, Ce; E = S, Se, Te; R = Ph,iPr, H)","Inorganic Chemistry","2008","47","","29","41","10.1021/ic701618a","","","0.71073","MoKα","","0.0496","0.0257","","","0.0497","0.051","","","","","","0.729","","","","has coordinates","179079","2020-10-21","18:00:00","" "4304139","15.1505","0.0004","15.1505","0.0004","56.984","0.003","90","","90","","120","","11327.6","0.7","141","2","141","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C79 H68 N3 P6 Pu Se6 -","- C79.02 H60 N3 P6 Pu Se6 -","- C474.12 H360 N18 P36 Pu6 Se36 -","6","0.166667","","Andrew J. Gaunt; Sean D. Reilly; Alejandro E. Enriquez; Brian L. Scott; James A. Ibers; Perumal Sekar; Kieran I. M. Ingram; Nikolas Kaltsoyannis; Mary P. Neu","Experimental and Theoretical Comparison of Actinide and Lanthanide Bonding in M[N(EPR2)2]3 Complexes (M = U, Pu, La, Ce; E = S, Se, Te; R = Ph,iPr, H)","Inorganic Chemistry","2008","47","","29","41","10.1021/ic701618a","","","0.71073","MoKα","","0.0294","0.0206","","","0.0536","0.0563","","","","","","1.004","","","","has coordinates","179079","2020-10-21","18:00:00","" "4304140","15.1571","0.0003","15.1571","0.0003","57.057","0.003","90","","90","","120","","11352","0.7","141","2","141","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C79 H68 Ce N3 P6 Se6 -","- C78 H66 Ce N3 P6 Se6 -","- C468 H396 Ce6 N18 P36 Se36 -","6","0.166667","","Andrew J. Gaunt; Sean D. Reilly; Alejandro E. Enriquez; Brian L. Scott; James A. Ibers; Perumal Sekar; Kieran I. M. Ingram; Nikolas Kaltsoyannis; Mary P. Neu","Experimental and Theoretical Comparison of Actinide and Lanthanide Bonding in M[N(EPR2)2]3 Complexes (M = U, Pu, La, Ce; E = S, Se, Te; R = Ph,iPr, H)","Inorganic Chemistry","2008","47","","29","41","10.1021/ic701618a","","","0.71073","MoKα","","0.0385","0.0232","","","0.048","0.0489","","","","","","0.873","","","","has coordinates","179079","2020-10-21","18:00:00","" "4305285","20.02588","0.00001","20.02588","0.00001","36.14264","0.00002","90","","90","","120","","12552.6","0.011","110","2","110","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C35 H28 Ir N3 -","- C35 H28 Ir N3 -","- C630 H504 Ir18 N54 -","18","0.5","","Aidan R. McDonald; Martin Lutz; Lars S. von Chrzanowski; Gerard P. M. van Klink; Anthony L. Spek; Gerard van Koten","Probing the mer- to fac- Isomerization of Tris-Cyclometallated Homo- and Heteroleptic (C,N)3 Iridium(III) Complexes","Inorganic Chemistry","2008","47","","6681","6691","10.1021/ic800169n","","","0.71073","MoKα","","0.0299","0.0229","","","0.0496","0.0514","","","","","","1.088","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00","" "4305656","12.481","0.006","12.481","0.006","53.66","0.02","90","","90","","120","","7239","6","294","2","294","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C6 H8 N1.17 O6.17 Pr0.5 S0.17 -","- C6 H6 N1.16667 O6.16667 Pr0.5 S0.166667 -","- C216 H216 N42 O222 Pr18 S6 -","36","1","","Na Xu; Wei Shi; Dai-Zheng Liao; Shi-Ping Yan; Peng Cheng","Template Synthesis of Lanthanide (Pr, Nd, Gd) Coordination Polymers with 2-Hydroxynicotinic Acid Exhibiting Ferro-/Antiferromagnetic Interaction","Inorganic Chemistry","2008","47","","8748","8756","10.1021/ic800623v","","","0.71073","MoKα","","0.0546","0.0491","","","0.1372","0.1413","","","","","","1.213","","","","has coordinates","176467","2020-10-21","18:00:00","" "4305657","12.6787","0.0018","12.6787","0.0018","53.746","0.011","90","","90","","120","","7482","2","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C6 H8 N1.17 Nd0.5 O6.17 S0.17 -","- C6 H6 N1.16667 Nd0.5 O6.16667 S0.166667 -","- C216 H216 N42 Nd18 O222 S6 -","36","1","","Na Xu; Wei Shi; Dai-Zheng Liao; Shi-Ping Yan; Peng Cheng","Template Synthesis of Lanthanide (Pr, Nd, Gd) Coordination Polymers with 2-Hydroxynicotinic Acid Exhibiting Ferro-/Antiferromagnetic Interaction","Inorganic Chemistry","2008","47","","8748","8756","10.1021/ic800623v","","","0.71073","MoKα","","0.0632","0.0626","","","0.1563","0.1568","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00","" "4306067","6.2669","0.0009","6.2669","0.0009","29.367","0.006","90","","90","","120","","998.8","0.3","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","Luthetiumcyanamide","","","- C3 Lu2 N6 -","- C3 Lu2 N6 -","- C18 Lu12 N36 -","6","0.166667","","Jochen Glaser; Leonid Unverfehrt; Helga Bettentrup; Gunter Heymann; Hubert Huppertz; Thomas Jüstel; H.-Jürgen Meyer","Crystal Structures, Phase-Transition, and Photoluminescence of Rare Earth Carbodiimides","Inorganic Chemistry","2008","47","","10455","10460","10.1021/ic800985k","","","0.71073","MoKα","","0.0246","0.014","","","0.0281","0.0307","","","","","","1.057","","","","has coordinates","179098","2020-10-21","18:00:00","" "4306368","20.282","0.003","20.282","0.003","83.734","0.012","90","","90","","120","","29830","8","100","2","100","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C93 H72 As3 Cl2 Mn3 N21 O7 Zn2 -","- C93 H72 As3 Cl2 Mn3 N21 O7 Zn2 -","- C1116 H864 As36 Cl24 Mn36 N252 O84 Zn24 -","12","0.333333","","Patrick L. Feng; Changhyun Koo; John J. Henderson; Motohiro Nakano; Stephen Hill; Enrique del Barco; David N. Hendrickson","Single-Molecule-Magnet Behavior and Spin Changes Affected by Crystal Packing Effects","Inorganic Chemistry","2008","47","","8610","8612","10.1021/ic801208z","","","0.71073","MoKα","","0.0599","0.0556","","","0.1496","0.1532","","","","","","1.076","","","","has coordinates","179101","2020-10-21","18:00:00","" "4306562","26.156","0.004","26.156","0.004","20.058","0.004","90","","90","","120","","11884","3","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C22 H38 Co N P2 Se Te -","- C22 H38 Co N P2 Se Te -","- C396 H684 Co18 N18 P36 Se18 Te18 -","18","0.5","","Stuart D. Robertson; Tristram Chivers; Heikki M. Tuononen","Experimental and Theoretical Investigations of the Redox Behavior of the Heterodichalcogenido Ligands [(EPiPr2)(TePiPr2)N]-(E = S, Se): Cyclic Cations and Acyclic Dichalcogenide Dimers","Inorganic Chemistry","2008","47","","10634","10643","10.1021/ic801384c","","","0.71073","MoKα","","0.0295","0.0238","","","0.0578","0.0607","","","","","","1.055","","","","has coordinates","179103","2020-10-21","18:00:00","" "4306563","26.292","0.004","26.292","0.004","19.9914","0.0005","90","","90","","120","","11968","3","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C22 H38 Co N P2 Te2 -","- C22 H38 Co N P2 Te2 -","- C396 H684 Co18 N18 P36 Te36 -","18","0.5","","Stuart D. Robertson; Tristram Chivers; Heikki M. Tuononen","Experimental and Theoretical Investigations of the Redox Behavior of the Heterodichalcogenido Ligands [(EPiPr2)(TePiPr2)N]-(E = S, Se): Cyclic Cations and Acyclic Dichalcogenide Dimers","Inorganic Chemistry","2008","47","","10634","10643","10.1021/ic801384c","","","0.71073","MoKα","","0.0562","0.0328","","","0.0604","0.0667","","","","","","1.102","","","","has coordinates","179103","2020-10-21","18:00:00","" "4306695","17.987","0.005","17.987","0.005","53.73","0.02","90","","90","","120","","15054","8","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C106 H90 Cl3 La N28 O12 -","- C106 H89.94 Cl3 La N28 O12 -","- C636 H539.64 Cl18 La6 N168 O72 -","6","0.166667","","Ji-Jun Jiang; Sheng-Run Zheng; Yu Liu; Mei Pan; Wei Wang; Cheng-Yong Su","Self-Assembly of Triple Helical and meso-Helical Cylindrical Arrays Tunable by Bis-Tripodal Coordination Converters","Inorganic Chemistry","2008","47","","10692","10699","10.1021/ic801516b","","","0.71073","MoKα","","0.0964","0.0628","","","0.1732","0.2029","","","","","","1.015","","","","has coordinates","179104","2020-10-21","18:00:00","" "4306696","17.8881","0.0005","17.8881","0.0005","53.59","0.002","90","","90","","120","","14850.6","0.8","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C106 H90 Cl3 N28 O12 Pr -","- C106 H89.94 Cl3 N28 O12 Pr -","- C636 H539.64 Cl18 N168 O72 Pr6 -","6","0.166667","","Ji-Jun Jiang; Sheng-Run Zheng; Yu Liu; Mei Pan; Wei Wang; Cheng-Yong Su","Self-Assembly of Triple Helical and meso-Helical Cylindrical Arrays Tunable by Bis-Tripodal Coordination Converters","Inorganic Chemistry","2008","47","","10692","10699","10.1021/ic801516b","","","0.71073","MoKα","","0.1231","0.0754","","","0.1919","0.2027","","","","","","1.038","","","","has coordinates","179104","2020-10-21","18:00:00","" "4307008","20.324","0.005","20.324","0.005","47.623","0.005","90","0.005","90","0.005","120","0.005","17036","6","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C113 H95 Cu3 N13 O18 S6 -","- C114 H96 Cu3 N12 O18 S6 -","- C684 H576 Cu18 N72 O108 S36 -","6","0.166667","","Amir H. Mahmoudkhani; George K. H. Shimizu","Three Guest-Including Coordination Solids from a Single Crystallization: A Discrete Cage and Open-Channel Networks from 1-D Ladders and 1-D Ribbons","Inorganic Chemistry","2007","46","","1593","1602","10.1021/ic0615123","","","0.71069","MoKα","","0.1239","0.1096","","","0.3136","0.3288","","","","","","1.17","","","","has coordinates","179108","2020-10-21","18:00:00","" "4307161","9.738","0.0002","9.738","0.0002","55.5716","0.0015","90","","90","","120","","4563.76","0.18","294","2","294","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Na3 O36 Pr14 Ru6 -","- Na3 O36 Pr14 Ru6 -","- Na18 O216 Pr84 Ru36 -","6","0.166667","","William R. Gemmill; Mark D. Smith; Hans-Conrad zur Loye","Ln14Na3Ru6O36 (Ln = Pr, Nd): Two New Complex Lanthanide-Containing Oxides of Ruthenium","Inorganic Chemistry","2007","46","","2132","2138","10.1021/ic0617083","","","0.71073","MoKα","","0.0417","0.0368","","","0.0727","0.0744","","","","","","1.087","","","","has coordinates","179109","2020-10-21","18:00:00","" "4307162","9.6781","0.0002","9.6781","0.0002","55.4156","0.0018","90","","90","","120","","4495.1","0.2","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Na3 Nd14 O36 Ru6 -","- Na3 Nd14 O36 Ru6 -","- Na18 Nd84 O216 Ru36 -","6","0.166667","","William R. Gemmill; Mark D. Smith; Hans-Conrad zur Loye","Ln14Na3Ru6O36 (Ln = Pr, Nd): Two New Complex Lanthanide-Containing Oxides of Ruthenium","Inorganic Chemistry","2007","46","","2132","2138","10.1021/ic0617083","","","0.71073","MoKα","","0.0325","0.032","","","0.0677","0.0679","","","","","","1.165","","","","has coordinates","179109","2020-10-21","18:00:00","" "4308596","11.8666","0.0004","11.8666","0.0004","110.29","0.005","90","","90","","120","","13449.9","0.9","110","2","110","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C29 H57 Ag2 Cl2 N7 Ni3 O8 S6 -","- C28.98 H56.97 Ag2 Cl2 N6.99 Ni3 O8 S6 -","- C347.76 H683.64 Ag24 Cl24 N83.88 Ni36 O96 S72 -","12","0.333333","","Melissa L. Golden; Curtis M. Whaley; Marilyn V. Rampersad; Joseph H. Reibenspies; Robert D. Hancock; Marcetta Y. Darensbourg","N2S2Ni Metallodithiolate Complexes as Ligands: Structural and Aqueous Solution Quantitative Studies of the Ability of Metal Ions to Form M-S-Ni Bridges to Mercapto Groups Coordinated to Nickel(II). Implications for Acetyl Coenzyme A Synthase","Inorganic Chemistry","2005","44","","875","883","10.1021/ic0489701","","","1.54178","CuKα","","0.0499","0.043","","","0.1285","0.1314","","","","","","1.073","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00","" "4309687","18.4008","0.0016","18.4008","0.0016","64.805","0.011","90","","90","","120","","19003","4","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C17 H27 Mn N2 O5 S2 -","- C17 H27 Mn N2 O5 S2 -","- C612 H972 Mn36 N72 O180 S72 -","36","1","","Rohith P. John; Kyungjae Lee; Beom Jin Kim; Byoung Jin Suh; Hackjune Rhee; Myoung Soo Lah","Modulation of the Ring Size and Nuclearity of Metallamacrocycles via the Steric Effect of Ligands: Preparation and Characterization of 18-Membered Hexanuclear, 24-Membered Octanuclear, and 30-Membered Decanuclear Manganese Metalladiazamacrocycles with α- and β-Branched N-Acylsalicylhydrazides","Inorganic Chemistry","2005","44","","7109","7121","10.1021/ic050891h","","","0.71073","MoKα","","0.0661","0.0444","","","0.1145","0.137","","","","","","1.046","","","","has coordinates,has disorder","179134","2020-10-21","18:00:00","" "4309706","24.556","0.0003","24.556","0.0002","59.4158","0.0003","90","","90","","120","","31027.6","0.5","233","2","233","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C144 H72 Cl84 Mn3 O24 -","- C144 H72 Cl84 Mn3 O24 -","- C864 H432 Cl504 Mn18 O144 -","6","0.166667","","Daniel Maspoch; Jordi Gómez-Segura; Neus Domingo; Daniel Ruiz-Molina; Klaus Wurst; Concepció Rovira; Javier Tejada; Jaume Veciana","An Unusually Stable Trinuclear Manganese(II) Complex Bearing Bulk Carboxylic Radical Ligands","Inorganic Chemistry","2005","44","","6936","6938","10.1021/ic050977a","","","0.71073","MoKα","","0.0473","0.0354","","","0.0901","0.0977","","","","","","1.055","","","","has coordinates","179135","2020-10-21","18:00:00","" "4310414","28.776","0.0003","28.776","0.0003","21.113","0.0003","90","","90","","120","","15140.5","0.3","123","2","123","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C30.3333 H28.3333 F6 N4 O6.3333 P Ru2 -","- C30.332 H27 F6 N4 O6.332 P Ru2 -","- C545.976 H486 F108 N72 O113.976 P18 Ru36 -","18","0.5","","Pauline Pearson; Christopher M. Kepert; Glen B. Deacon; Leone Spiccia; Andrew C. Warden; Brian W. Skelton; Allan H. White","Carbonyl-Carboxylato-Ruthenium Complexes Incorporating Diimine Ligands and Unexpected Cyclometalation of Carboxylate Ligands","Inorganic Chemistry","2004","43","","683","691","10.1021/ic0348401","","","0.71073","MoKα","","0.095","0.053","","0.089","","0.075","","","1.041","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00","" "4310530","22.715","0.003","22.715","0.003","64.199","0.013","90","","90","","120","","28687","8","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C22.25 H19 Cu F12 N4 O6 -","- C24 H19 Cu F12 N4 O6 -","- C864 H684 Cu36 F432 N144 O216 -","36","1","","Sergei Fokin; Victor Ovcharenko; Galina Romanenko; Vladimir Ikorskii","Problem of a Wide Variety of Products in the Cu(hfac)2-Nitroxide System","Inorganic Chemistry","2004","43","","969","977","10.1021/ic034964d","","","0.71073","MoKα","","0.2361","0.0773","","","0.1763","0.248","","","","","","0.91","","","","has coordinates","288183","2023-12-08","14:42:54","" "4310531","22.581","0.003","22.581","0.003","64.185","0.013","90","","90","","120","","28343","8","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C21.5 H20 Cl Cu F12 N4 O6 -","- C21.5 H20 Cl Cu F12 N4 O6 -","- C774 H720 Cl36 Cu36 F432 N144 O216 -","36","1","","Sergei Fokin; Victor Ovcharenko; Galina Romanenko; Vladimir Ikorskii","Problem of a Wide Variety of Products in the Cu(hfac)2-Nitroxide System","Inorganic Chemistry","2004","43","","969","977","10.1021/ic034964d","","","0.71073","MoKα","","0.2569","0.0845","","","0.1981","0.2479","","","","","","0.621","","","","has coordinates","288183","2023-12-08","14:42:54","" "4311075","27.476","0.004","27.476","0.004","66.576","0.008","90","","90","","120","","43527","10","273","2","273","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C66 H120 Mn6 N4 O26 -","- C66 H120 Mn6 N4 O26 -","- C1188 H2160 Mn108 N72 O468 -","18","0.5","","Victor Ovcharenko; Elena Fursova; Galina Romanenko; Vladimir Ikorskii","Synthesis and Structure of Heterospin Compounds Based on the [Mn6(O)2Piv10]- Cluster Unit and Nitroxide","Inorganic Chemistry","2004","43","","3332","3334","10.1021/ic049859y","","","0.71073","MoKα","","0.0917","0.057","","","0.1572","0.1816","","","","","","0.747","","","","has coordinates","179149","2020-10-21","18:00:00","" "4311245","18.0784","0.0015","18.0784","0.0015","74.607","0.009","90","","90","","120","","21117","4","298","2","298","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C24 H60 Ag8 Cl F6 O12 P7 Se12 -","- C24 H60 Ag8 Cl F6 O12 P7 Se12 -","- C288 H720 Ag96 Cl12 F72 O144 P84 Se144 -","12","0.333333","","C. W. Liu; Hsien-Chung Haia; Chiu-Mine Hung; Bidyut Kumar Santra; Ben-Jie Liaw; Zhenyang Lin; Ju-Chun Wang","New Halide-Centered Discrete AgI8 Cubic Clusters Containing Diselenophosphate Ligands, {Ag8(X)[Se2P(OR)2]6}(PF6) (X = Cl, Br; R = Et, Pr,iPr): Syntheses, Structures, and DFT Calculations","Inorganic Chemistry","2004","43","","4464","4470","10.1021/ic049533p","","","0.71073","MoKα","","0.0766","0.0476","","","0.1094","0.125","","","","","","1.034","","","","has coordinates","179151","2020-10-21","18:00:00","" "4311246","18.0461","0.0013","18.0461","0.0013","75.366","0.012","90","","90","","120","","21256","4","298","2","298","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C24 H61 Ag8 Br F6 O12.5 P7 Se12 -","- C24 H60 Ag8 Br F6 O12.5 P7 Se12 -","- C288 H720 Ag96 Br12 F72 O150 P84 Se144 -","12","0.333333","","C. W. Liu; Hsien-Chung Haia; Chiu-Mine Hung; Bidyut Kumar Santra; Ben-Jie Liaw; Zhenyang Lin; Ju-Chun Wang","New Halide-Centered Discrete AgI8 Cubic Clusters Containing Diselenophosphate Ligands, {Ag8(X)[Se2P(OR)2]6}(PF6) (X = Cl, Br; R = Et, Pr,iPr): Syntheses, Structures, and DFT Calculations","Inorganic Chemistry","2004","43","","4464","4470","10.1021/ic049533p","","","0.71073","MoKα","","0.0911","0.0536","","","0.1366","0.1583","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00","" "4311250","17.752","0.004","17.752","0.004","72.63","0.02","90","","90","","120","","19822","8","295","2","295","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C24 H63 Br Cu8 F6 O13.5 P7 Se12 -","- C24 H60 Br Cu8 F6 O13.5 P7 Se12 -","- C288 H720 Br12 Cu96 F72 O162 P84 Se144 -","12","0.333333","","C. W. Liu; Chiu-Mine Hung; Bidyut Kumar Santra; Yi-Hua Chu; Ju-Chun Wang; Zhenyang Lin","A Nonacoordinated Bridging Selenide in a Tricapped Trigonal Prismatic Geometry Identified in Undecanuclear Copper Clusters: Syntheses, Structures, and DFT Calculations","Inorganic Chemistry","2004","43","","4306","4314","10.1021/ic049589j","","","0.71073","MoKα","","0.136","0.0657","","","0.1601","0.1962","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00","" "4311368","8.334","0.0012","8.334","0.0012","22.893","0.005","90","","90","","120","","1377","0.4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H3 Mn N0.99 O6 -","- C30 H18 Mn6 N5.94 O36 -","6","0.166667","","Xin-Yi Wang; Lin Gan; Shi-Wei Zhang; Song Gao","Perovskite-like Metal Formates with Weak Ferromagnetism and as Precursors to Amorphous Materials","Inorganic Chemistry","2004","43","","4615","4625","10.1021/ic0498081","","","0.71073","MoKα","","0.0306","0.024","","","0.0586","0.06","","","","","","0.969","","","","has coordinates","179152","2020-10-21","18:00:00","" "4311369","8.1989","0.0012","8.1989","0.0012","22.224","0.004","90","","90","","120","","1293.8","0.4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Co N O6 -","- C5 H3 Co N0.99 O6 -","- C30 H18 Co6 N5.94 O36 -","6","0.166667","","Xin-Yi Wang; Lin Gan; Shi-Wei Zhang; Song Gao","Perovskite-like Metal Formates with Weak Ferromagnetism and as Precursors to Amorphous Materials","Inorganic Chemistry","2004","43","","4615","4625","10.1021/ic0498081","","","0.71073","MoKα","","0.0339","0.0247","","","0.0438","0.0448","","","","","","0.877","","","","has coordinates","179152","2020-10-21","18:00:00","" "4311370","8.1989","0.0012","8.1989","0.0012","22.224","0.004","90","","90","","120","","1293.8","0.4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 N Ni O6 -","- C5 H3 N0.99 Ni O6 -","- C30 H18 N5.94 Ni6 O36 -","6","0.166667","","Xin-Yi Wang; Lin Gan; Shi-Wei Zhang; Song Gao","Perovskite-like Metal Formates with Weak Ferromagnetism and as Precursors to Amorphous Materials","Inorganic Chemistry","2004","43","","4615","4625","10.1021/ic0498081","","","0.71073","MoKα","","0.0244","0.0199","","","0.0476","0.0482","","","","","","1.042","","","","has coordinates","179152","2020-10-21","18:00:00","" "4311903","16.479","0.002","16.479","0.002","53.626","0.011","90","","90","","120","","12612","3","150","2","173","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","tris(isonicotinoyl)cyclotriguaiacylene","","","- C42 H33 N3 O9 -","- C42 H33 N3 O9 -","- C504 H396 N36 O108 -","12","0.333333","","Michaele J. Hardie; Christopher J. Sumby","Interwoven 2-D Coordination Network Prepared from the Molecular Host Tris(isonicotinoyl)cyclotriguaiacylene and Silver(I) Cobalt(III) Bis(dicarbollide)","Inorganic Chemistry","2004","43","","6872","6874","10.1021/ic049160s","","","0.71073","MoKα","","0.0952","0.0854","","","0.2365","0.2491","","","","","","1.131","","","","has coordinates","179158","2020-10-21","18:00:00","" "4312263","25.9706","0.0009","25.9706","0.0009","62.12","0.003","90","","90","","120","","36285","2","213","2","213","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","bis(chloro)-{trans-bis(mu-acetato)-bis(mu-methoxo)diruthenium(III,III) tetrakis[di(p-anisyl)formamidine)]} methanol solvate","","- C70 H92 Cl2 N8 O18 Ru2 -","- C70 H72 Cl1.99333 N8 O18 Ru2 -","- C1260 H1296 Cl35.88 N144 O324 Ru36 -","18","0.5","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Paramagnetic Precursors for Supramolecular Assemblies: Selective Syntheses, Crystal Structures, and Electrochemical and Magnetic Properties of Ru2(O2CMe)4-n(formamidinate)nCl Complexes,n= 1-4","Inorganic Chemistry","2004","43","","8290","8300","10.1021/ic049108w","","","0.71073","MoKα","","0.0834","0.0596","","","0.164","0.1838","","","","","","1.103","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00","" "4312428","9.5031","0.0002","9.5031","0.0002","11.4625","0.0005","90","","90","","120","","896.48","0.05","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- La2 Na2 O6 Pt -","- La2.01 Na1.99 O6 Pt -","- La12.06 Na11.94 O36 Pt6 -","6","0.166667","","Matthew J. Davis; Mark D. Smith; Hans-Conrad zur Loye","(NaLa2)NaPtO6: The First 2H-Perovskite Related Oxide with a Rare Earth Cation on the A-Site","Inorganic Chemistry","2003","42","","6980","6982","10.1021/ic034679u","","","0.71073","MoKα","","0.0234","0.0229","","","0.0455","0.0457","","","","","","1.039","","","","has coordinates","179163","2020-10-21","18:00:00","" "4313246","19.511","0.003","19.511","0.003","15.354","0.003","90","","90","","120","","5061.9","1.5","92","2","92","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","[Fe(N-MeIm)6](ClO4)3","","","- C24 H36 Cl3 Fe N12 O12 -","- C24 H36 Cl3 Fe N12 O12 -","- C144 H216 Cl18 Fe6 N72 O72 -","6","0.166667","","Dana S. Marlin; Marilyn M. Olmstead; Pradip K. Mascharak","Reaction of (μ-Oxo)diiron(III) Core with CO2 in N-Methylimidazole: Formation of Mono(μ-carboxylato)(μ-oxo)diiron(III) Complexes with N-Methylimidazole as Ligands","Inorganic Chemistry","2003","42","","1681","1687","10.1021/ic0206140","","","0.71073","MoKα","","0.0692","0.0393","","","0.0845","0.0915","","","","","","0.961","","","","has coordinates","179188","2020-10-21","18:00:00","" "4313621","17.7054","0.0017","17.7054","0.0017","73.576","0.01","90","","90","","120","","19975","4","293","2","293","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C24.5 H60.5 Cl2.5 Cu8 F6 O12 P7 Se12 -","- C24.5 H60 Cl2.5 Cu8 F6 O12 P7 Se12 -","- C294 H720 Cl30 Cu96 F72 O144 P84 Se144 -","12","0.333333","","C. W. Liu; Chiu-Mine Hung; Bidyut Kumar Santra; Hsiu-Chih Chen; Hsueh; Ju-Chung Wang","Novel Chloride-Centered Discrete CuI8 Cubic Clusters Containing Diselenophosphate Ligands. Syntheses and Structures of {Cu8(μ8-Cl)[Se2P(OR)2]6}(PF6) (R = Et, Pr,iPr)1","Inorganic Chemistry","2003","42","","3216","3220","10.1021/ic020732n","","","0.71073","MoKα","","0.0677","0.0436","","","0.0906","0.0993","","","","","","1.188","","","","has coordinates","176467","2020-10-21","18:00:00","" "4314519","17.8467","0.0009","17.8467","0.0009","74.722","0.004","90","","90","","120","","20610.8","1.8","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C24 H61 Ag8 F6 O12 P7 Se12 -","- C24 H61 Ag8 F6 O12 P7 Se12 -","- C288 H732 Ag96 F72 O144 P84 Se144 -","12","0.333333","","C. W. Liu; Hao-Wei Chang; Bijay Sarkar; Jean-Yves Saillard; Samia Kahlal; Ying-Yann Wu","Stable Silver(I) Hydride Complexes Supported by Diselenophosphate Ligands","Inorganic Chemistry","2010","49","","468","475","10.1021/ic901408n","","","0.71073","MoKα","","0.0917","0.0631","","","0.187","0.2057","","","","","","1.087","","","","has coordinates","179221","2020-10-21","18:00:00","" "4314549","12.3961","0.0012","12.3961","0.0012","78.71","0.008","90","","90","","120","","10474.4","1.8","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C24 H39 Cl2 Fe N12 O11 Zn -","- C24 H39 Cl2 Fe N12 O11.04 Zn -","- C288 H468 Cl24 Fe12 N144 O132.48 Zn12 -","12","0.333333","","Biplab Biswas; Sunita Salunke-Gawali; Thomas Weyhermüller; Vinzenz Bachler; Eckhard Bill; Phalguni Chaudhuri","Metal-Complexes As Ligands to Generate Asymmetric Homo- and Heterodinuclear MAIIIMBII Species: a Magneto-Structural and Spectroscopic Comparison of Imidazole-N versus Pyridine-N","Inorganic Chemistry","2010","49","","626","641","10.1021/ic9018426","","","0.71073","MoKα","","0.0528","0.0397","","","0.1022","0.1103","","","","","","1.044","","","","has coordinates","179221","2020-10-21","18:00:00","" "4314550","12.2693","0.0016","12.2693","0.0016","78.349","0.009","90","","90","","120","","10214","2","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C24 H39 Cl2 Cu Fe N12 O11 -","- C24 H39 Cl2 Cu Fe N12 O11.04 -","- C288 H468 Cl24 Cu12 Fe12 N144 O132.48 -","12","0.333333","","Biplab Biswas; Sunita Salunke-Gawali; Thomas Weyhermüller; Vinzenz Bachler; Eckhard Bill; Phalguni Chaudhuri","Metal-Complexes As Ligands to Generate Asymmetric Homo- and Heterodinuclear MAIIIMBII Species: a Magneto-Structural and Spectroscopic Comparison of Imidazole-N versus Pyridine-N","Inorganic Chemistry","2010","49","","626","641","10.1021/ic9018426","","","0.71073","MoKα","","0.0728","0.0532","","","0.124","0.1341","","","","","","1.091","","","","has coordinates","179221","2020-10-21","18:00:00","" "4314551","12.34","0.0012","12.34","0.0012","78.516","0.009","90","","90","","120","","10354.3","1.9","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C24 H39 Cl2 Fe N12 Ni O11 -","- C24 H39 Cl2 Fe N12 Ni O11.04 -","- C288 H468 Cl24 Fe12 N144 Ni12 O132.48 -","12","0.333333","","Biplab Biswas; Sunita Salunke-Gawali; Thomas Weyhermüller; Vinzenz Bachler; Eckhard Bill; Phalguni Chaudhuri","Metal-Complexes As Ligands to Generate Asymmetric Homo- and Heterodinuclear MAIIIMBII Species: a Magneto-Structural and Spectroscopic Comparison of Imidazole-N versus Pyridine-N","Inorganic Chemistry","2010","49","","626","641","10.1021/ic9018426","","","0.71073","MoKα","","0.0496","0.0383","","","0.1","0.1071","","","","","","1.036","","","","has coordinates","179221","2020-10-21","18:00:00","" "4314556","12.338","0.002","12.338","0.002","78.347","0.009","90","","90","","120","","10329","3","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C24 H39 Cl2 Cr N12 Ni O11 -","- C24 H39 Cl2 Cr N12 Ni O11.04 -","- C288 H468 Cl24 Cr12 N144 Ni12 O132.48 -","12","0.333333","","Biplab Biswas; Sunita Salunke-Gawali; Thomas Weyhermüller; Vinzenz Bachler; Eckhard Bill; Phalguni Chaudhuri","Metal-Complexes As Ligands to Generate Asymmetric Homo- and Heterodinuclear MAIIIMBII Species: a Magneto-Structural and Spectroscopic Comparison of Imidazole-N versus Pyridine-N","Inorganic Chemistry","2010","49","","626","641","10.1021/ic9018426","","","0.71073","MoKα","","0.0642","0.047","","","0.1182","0.1294","","","","","","1.041","","","","has coordinates","179221","2020-10-21","18:00:00","" "4314557","12.332","0.002","12.332","0.002","78.163","0.008","90","","90","","120","","10294","3","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C24 H39 Cl2 Ga N12 Ni O11 -","- C24 H39 Cl2 Ga N12 Ni O11.04 -","- C288 H468 Cl24 Ga12 N144 Ni12 O132.48 -","12","0.333333","","Biplab Biswas; Sunita Salunke-Gawali; Thomas Weyhermüller; Vinzenz Bachler; Eckhard Bill; Phalguni Chaudhuri","Metal-Complexes As Ligands to Generate Asymmetric Homo- and Heterodinuclear MAIIIMBII Species: a Magneto-Structural and Spectroscopic Comparison of Imidazole-N versus Pyridine-N","Inorganic Chemistry","2010","49","","626","641","10.1021/ic9018426","","","0.71073","MoKα","","0.0495","0.0383","","","0.0998","0.1065","","","","","","1.034","","","","has coordinates","179221","2020-10-21","18:00:00","" "4315410","24.342","0.003","24.342","0.003","18.303","0.004","90","","90","","120","","9392","3","153","2","153","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C24 H18 N30 Ni6 O25 S12 -","- C24 H18 N30 Ni6 O25 S12 -","- C144 H108 N180 Ni36 O150 S72 -","6","0.166667","","Qun Yu; Yong-Fei Zeng; Jiong-Peng Zhao; Qian Yang; Bo-Wen Hu; Ze Chang; Xian-He Bu","Three-Dimensional Porous Metal-Organic Frameworks Exhibiting Metamagnetic Behaviors: Synthesis, Structure, Adsorption, and Magnetic Properties","Inorganic Chemistry","2010","49","","4301","4306","10.1021/ic100188w","","","0.71073","MoKα","","0.0436","0.0418","","","0.0963","0.0974","","","","","","1.158","","","","has coordinates","179234","2020-10-21","18:00:00","" "4315411","24.502","0.004","24.502","0.004","18.45","0.004","90","","90","","120","","9592","3","153","2","153","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C24 H18 Co6 N30 O25 S12 -","- C24 H18 Co6 N30 O25 S12 -","- C144 H108 Co36 N180 O150 S72 -","6","0.166667","","Qun Yu; Yong-Fei Zeng; Jiong-Peng Zhao; Qian Yang; Bo-Wen Hu; Ze Chang; Xian-He Bu","Three-Dimensional Porous Metal-Organic Frameworks Exhibiting Metamagnetic Behaviors: Synthesis, Structure, Adsorption, and Magnetic Properties","Inorganic Chemistry","2010","49","","4301","4306","10.1021/ic100188w","","","0.71073","MoKα","","0.049","0.048","","","0.1671","0.168","","","","","","1.162","","","","has coordinates","179234","2020-10-21","18:00:00","" "4316488","13.5317","0.0019","13.5317","0.0019","28.933","0.006","90","","90","","120","","4588.1","1.3","160","2","160","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C6 H27 Cu7 N6 S12 Sn4 -","- C6 H27 Cu6.98 N6 S12 Sn4.02 -","- C36 H162 Cu41.88 N36 S72 Sn24.12 -","6","0.166667","","Malte Behrens; Marie-Eve Ordolff; Christian Näther; Wolfgang Bensch; Klaus-Dieter Becker; Catherine Guillot-Deudon; Alain Lafond; Jason A. Cody","New Three-Dimensional Thiostannates Composed of Linked Cu8S12 Clusters and the First Example of a Mixed-Metal Cu7SnS12 Cluster","Inorganic Chemistry","2010","49","","8305","8309","10.1021/ic100688z","","","0.71073","MoKα","","0.0477","0.0368","","","0.0747","0.078","","","","","","1.22","","","","has coordinates,has disorder","179244","2020-10-21","18:00:00","" "4317287","13.9063","0.0002","13.9063","0.0002","99.067","0.003","90","","90","","120","","16591.4","0.6","120","2","120","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C150 H102 N18 O6 Ru2 -","- C150 H102 N18 O6 Ru2 -","- C900 H612 N108 O36 Ru12 -","6","0.166667","","Jie Hong; Matthew P. Shores; C. Michael Elliott","Establishment of Structure-Conductivity Relationship for Tris(2,2'-bipyridine) Ruthenium Ionic C60 Salts","Inorganic Chemistry","2010","49","","11378","11385","10.1021/ic1013126","","","0.71073","MoKα","","0.1082","0.0812","","","0.2056","0.22","","","","","","1.092","","","","has coordinates","179252","2020-10-21","18:00:00","" "4317609","31.683","0.002","31.683","0.002","105.352","0.011","90","","90","","120","","91585","13","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C112 H145.5 Co4 K4 Mg2 N8 O88.5 -","- C112 H104 Co4 Mg2 N8 O88.5 -","- C2016 H1872 Co72 Mg36 N144 O1593 -","18","0.5","","Roger G. Harrison; O. Danny Fox; Mark O. Meng; N. Kent Dalley; Leonard J. Barbour","Cation Control of Pore and Channel Size in Cage-Based Metal-Organic Porous Materials","Inorganic Chemistry","2002","41","","838","843","10.1021/ic011135o","","","0.71073","MoKα","","0.2516","0.1364","","","0.3465","0.3901","","","","","","1.897","","","","has coordinates","176467","2020-10-21","18:00:00","" "4318182","10.61","0.001","10.61","0.001","54.683","0.008","90","","90","","120","","5331.1","1.1","296.2","","296.2","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Cs8 Pd Tl11 -","- Cs6.666 Pd0.14 Tl8.166 -","- Cs39.996 Pd0.84 Tl48.996 -","6","0.166667","","Stefan Kaskel; Michael T. Klem; John D. Corbett","Polyatomic Clusters of the Triel Elements. Palladium-Centered Clusters of Thallium in A8Tl11Pd, A = Cs, Rb, K","Inorganic Chemistry","2002","41","","3457","3462","10.1021/ic020078b","","","0.7107","MoKα","","0.0357","0.036","","0.039","","0.039","","","0.814","","","0.81","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319094","17.4163","0.0008","17.4163","0.0008","47.663","0.005","90","","90","","120","","12520.6","1.5","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Al Cs3.5 K1.5 O44.95 W12 -","- Al Cs3.48 K1.5 O44.95 W12 -","- Al12 Cs41.76 K18 O539.4 W144 -","12","0.333333","","Wade A. Neiwert; Jennifer J. Cowan; Kenneth I. Hardcastle; Craig L. Hill; Ira A. Weinstock","Stability and Structure in α- and β-Keggin Heteropolytungstates, [Xn+W12O40](8-n)-, X = p-Block Cation","Inorganic Chemistry","2002","41","","6950","6952","10.1021/ic026023r","","","0.71073","MoKα","","0.1002","0.0865","","","0.2202","0.2269","","","","","","1.114","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320002","13.3659","0.0015","13.3659","0.0015","93.012","0.013","90","","90","","120","","14390","3","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C96 H102 Mo2 N12 Na2 O10.61 -","- C96 H102 Mo2 N12 Na2 O10.61 -","- C576 H612 Mo12 N72 Na12 O63.66 -","6","0.166667","","George E. Greco; Richard R. Schrock","Synthesis, Structure, and Electrochemical Studies of Molybdenum and Tungsten Dinitrogen, Diazenido, and Hydrazido Complexes That Contain Aryl-Substituted Triamidoamine Ligands","Inorganic Chemistry","2001","40","","3861","3878","10.1021/ic001123n","","","0.71073","MoKα","","0.0856","0.0544","","","0.1314","0.1471","","","","","","1.057","","","","has coordinates,has disorder","179303","2020-10-21","18:00:00","" "4320513","14.1878","0.0014","14.1878","0.0014","66.895","0.009","90","","90","","120","","11661","2","158","2","158","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","(PF6)[Fe6S8(PnPr3)6]","","","- C54 H126 F6 Fe6 P7 S8 -","- C54 H126 F5.99 Fe6 P7 S8 -","- C324 H756 F35.94 Fe36 P42 S48 -","6","0.166667","","Jaehong Han; Markos Koutmos; Saleem Al Ahmad; Dimitri Coucouvanis","Rational Synthesis of High Nuclearity Mo/Fe/S Clusters: The Reductive Coupling Approach in the Convenient Synthesis of (Cl4-cat)2Mo2Fe6S8(PR3)6 [R = Et, nPr, nBu] and the New [(Cl4-cat)2Mo2Fe2S3O(PEt3)3Cl].1/2(Fe(PEt3)2(MeCN)4) and (Cl4-cat)2Mo2Fe3S5(PEt3)5 Clusters","Inorganic Chemistry","2001","40","","5985","5999","10.1021/ic0104914","","","0.71073","MoKα","","0.0424","0.0394","","","0.0955","0.0969","","","","","","1.149","","","","has coordinates","179308","2020-10-21","18:00:00","" "4321433","16.3925","0.0013","16.3925","0.0013","58.502","0.005","90","","90","","120","","13614.2","1.9","160","2","160","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C72 H108 Co2 N3 Na3 O18 S6 -","- C77.191 H108 Co2 N3.65 Na3 O18 S6 -","- C463.146 H648 Co12 N21.9 Na18 O108 S36 -","6","0.166667","","Núria Duran; William Clegg; Lourdes Cucurull-Sánchez; Robert A. Coxall; Hermas R. Jiménez; José-María Moratal; Francesc Lloret; Pilar González-Duarte","Unprecedented Stabilization of Cobalt(II) in a Tetrahedral S2O2 Environment: The Use of a Redox-Noninnocent Ligand","Inorganic Chemistry","2000","39","","4821","4832","10.1021/ic000223q","","","0.71073","MoKα","","0.0861","0.0548","","0.1573","0.1278","","","","1.173","1.152","1.152","","","","","has coordinates","179317","2020-10-21","18:00:00","" "4321581","14.146","0.005","14.146","0.005","65.69","0.005","90","","90","","120","","11384","6","200","8","200","8","","","","","","","","7","R -3 c :H","-R 3 2""c","167","Hexa-Iron(III)-inclusion-cluster","(Na(12-MC(Fe(III)N(COO)-3)2(my-O)3)(ClO4)14(H2O)","","- C42 H88 Cl Fe6 N6 Na O51 -","- C42 H60 Cl Fe6 N6 Na O51 -","- C252 H360 Cl6 Fe36 N36 Na6 O306 -","6","0.166667","","Thorsten Schneppensieper; Günter Liehr; Rudi van Eldik; Jürgen Ensling; Philipp Gütlich","A New Cylindrical, Six-Membered Iron(III) Inclusion Cluster Consisting of Three Oxo-Bridged Diiron Subunits Linked by Carboxylate Bridges","Inorganic Chemistry","2000","39","","5565","5568","10.1021/ic000108f","","","0.71069","MoKα","","0.051","0.0388","","","0.1349","0.1455","","","","","","1.245","","","","has coordinates","179318","2020-10-21","18:00:00","" "4322277","9.271","0.001","9.271","0.001","35.985","0.009","90","","90","","120","","2678.6","0.8","293","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- K2 Mo9 S11 -","- K2 Mo9 S11 -","- K12 Mo54 S66 -","6","0.166667","","Soazig Picard; Patrick Gougeon; Michel Potel","Synthesis, Structural Evolution, and Theoretical and Physical Studies of the Novel Compounds M2Mo9S11 (M = K, Rb) and Related Metastable Materials CuxK1.8Mo9S11 (x = 0 or 2) Containing Bioctahedral Mo9 Clusters","Inorganic Chemistry","1999","38","","4422","4429","10.1021/ic990362b","","x-ray","0.71073","MoKα","","0.0237","0.0186","","0.0208","0.0207","","","","2.04","2.14","2.14","","","","","has coordinates","179325","2020-10-21","18:00:00","" "4322278","9.356","0.002","9.356","0.002","35.935","0.009","90","","90","","120","","2724.1","1.1","293","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Mo9 Rb2 S11 -","- Mo9 Rb2 S11 -","- Mo54 Rb12 S66 -","6","0.166667","","Soazig Picard; Patrick Gougeon; Michel Potel","Synthesis, Structural Evolution, and Theoretical and Physical Studies of the Novel Compounds M2Mo9S11 (M = K, Rb) and Related Metastable Materials CuxK1.8Mo9S11 (x = 0 or 2) Containing Bioctahedral Mo9 Clusters","Inorganic Chemistry","1999","38","","4422","4429","10.1021/ic990362b","","x-ray","0.71073","MoKα","","0.0679","0.0368","","0.0394","0.0379","","","","1.55","1.76","1.76","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4322279","9.4215","0.0004","9.4215","0.0004","35.444","0.002","90","","90","","120","","2724.7","0.2","293","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Cu2 K1.8 Mo9 S11 -","- Cu2.04 K1.777 Mo9 S11 -","- Cu12.24 K10.662 Mo54 S66 -","6","0.166667","","Soazig Picard; Patrick Gougeon; Michel Potel","Synthesis, Structural Evolution, and Theoretical and Physical Studies of the Novel Compounds M2Mo9S11 (M = K, Rb) and Related Metastable Materials CuxK1.8Mo9S11 (x = 0 or 2) Containing Bioctahedral Mo9 Clusters","Inorganic Chemistry","1999","38","","4422","4429","10.1021/ic990362b","","x-ray","0.71073","MoKα","","0.0453","0.0238","","0.0222","0.0213","","","","1.42","1.56","1.56","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4322280","9.2801","0.0008","9.2801","0.0008","35.833","0.007","90","","90","","120","","2672.5","0.6","293","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- K2 Mo9 S11 -","- K1.776 Mo9 S11 -","- K10.656 Mo54 S66 -","6","0.166667","","Soazig Picard; Patrick Gougeon; Michel Potel","Synthesis, Structural Evolution, and Theoretical and Physical Studies of the Novel Compounds M2Mo9S11 (M = K, Rb) and Related Metastable Materials CuxK1.8Mo9S11 (x = 0 or 2) Containing Bioctahedral Mo9 Clusters","Inorganic Chemistry","1999","38","","4422","4429","10.1021/ic990362b","","x-ray","0.71073","MoKα","","0.0455","0.0219","","0.0223","0.0215","","","","1.71","1.96","1.96","","","","","has coordinates","179325","2020-10-21","18:00:00","" "4322883","17.373","0.003","17.373","0.003","33.235","0.006","90","","90","","120","","8687","3","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C8.33 H10.67 Cl0.67 N5.33 Ni0.67 O5.33 -","- C8.33333 H10.6667 Cl0.666667 N5.33333 Ni0.666667 O5.36 -","- C225 H288 Cl18 N144 Ni18 O144.72 -","27","0.75","","Zhiqiang Xu; Laurence K. Thompson; David O. Miller; Howard J. Clase; Judith A. K. Howard; Andrés E. Goeta","Spiral Dinuclear Complexes of Tetradentate N4 Diazine Ligands with Mn(II), Fe(II), Fe(III), Co(III), and Ni(II) Salts","Inorganic Chemistry","1998","37","","3620","3627","10.1021/ic9715761","","","0.71073","MoKα","","0.0488","0.0404","","0.1269","0.1124","","","","1.124","1.111","1.111","","","","","has coordinates","179331","2020-10-21","18:00:00","" "4322902","17.386","0.002","17.386","","32.15","0.02","90","","90","","120","","8416","5","299.2","0.2","299.2","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C18 H27 Co N12 O13.5 -","- C18 H27 Co0.333 N12 O13.5 -","- C216 H324 Co3.996 N144 O162 -","12","0.333333","","Zhiqiang Xu; Laurence K. Thompson; David O. Miller; Howard J. Clase; Judith A. K. Howard; Andrés E. Goeta","Spiral Dinuclear Complexes of Tetradentate N4 Diazine Ligands with Mn(II), Fe(II), Fe(III), Co(III), and Ni(II) Salts","Inorganic Chemistry","1998","37","","3620","3627","10.1021/ic9715761","","","0.7107","MoKα","","0.0506","0.051","","0.0515","","0.051","","","3.464","","","3.46","","","","has coordinates","176467","2020-10-21","18:00:00","" "4323605","10.678","0.001","10.678","0.001","52.298","0.011","90","","90","","120","","5164.1","1.3","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","tri-μ-carbonyl-hexakis-trimethylphosphane-triangulo-tricobalt","","- C21 H54 Co3 O3 P6 -","- C21 H54 Co3 O3 P6 -","- C126 H324 Co18 O18 P36 -","6","0.166667","","Hans-Friedrich Klein; Michael Mager; Andreas Schmidt; Martina Hüber; Wolfgang Haase; Ulrich Flörke; Hans-Jürgen Haupt; Roman Boca","Synthesis, Structure, and Magnetic Properties of Low-Valent Triangulo Cobalt-Hydride Clusters [XCo~3~(μ-CO)~3~(PMe~3~)~6~]","Inorganic Chemistry","1997","36","","4303","4306","10.1021/ic970431r","","","0.71073","MoKα","","0.031","0.0225","","0.0526","0.0494","","","","1.084","1.106","1.106","","","","","has coordinates","179339","2020-10-21","18:00:00","" "4323606","10.679","0.002","10.679","0.002","52.729","0.012","90","","90","","120","","5207.6","1.8","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","tri-μ-carbonyl-di-μ-hydrido-hydrido-hexakis-trimethylphosphane-triangulo- tricobalt","","- C21 H57 Co3 O3 P6 -","- C21 H56 Co3 O3 P6 -","- C126 H336 Co18 O18 P36 -","6","0.166667","","Hans-Friedrich Klein; Michael Mager; Andreas Schmidt; Martina Hüber; Wolfgang Haase; Ulrich Flörke; Hans-Jürgen Haupt; Roman Boca","Synthesis, Structure, and Magnetic Properties of Low-Valent Triangulo Cobalt-Hydride Clusters [XCo~3~(μ-CO)~3~(PMe~3~)~6~]","Inorganic Chemistry","1997","36","","4303","4306","10.1021/ic970431r","","","0.71073","MoKα","","0.0346","0.0241","","0.0571","0.0533","","","","1.046","1.07","1.07","","","","","has coordinates","179339","2020-10-21","18:00:00","" "4324298","19.6685","0.0003","19.6685","0.0003","53.1546","0.0006","90","","90","","120","","17808","0.4","295","","295","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C35 H40 Cl4 Co2 N8 O2 -","- C35 H40 Cl4 Co2 N8 O2 -","- C630 H720 Cl72 Co36 N144 O36 -","18","0.5","","Maria Strianese; Stefano Milione; Valerio Bertolasi; Claudio Pellecchia; Alfonso Grassi","Heteroscorpionate-Based Co2+, Zn2+, and Cu2+ Complexes: Coordination Behavior, Aerobic Oxidation, and Hydrogen Sulfide Detection","Inorganic Chemistry","2011","50","","900","910","10.1021/ic101467s","","","0.71073","MoKα","","0.0723","0.053","","","0.1459","0.1637","","","","","","1.057","","","","has coordinates","179345","2020-10-21","18:00:00","" "4325213","18.249","0.003","18.249","0.003","72.569","0.015","90","","90","","120","","20930","7","99","2","99","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C15 H7 Cu N O4 -","- C15 H7 Cu N O4 -","- C540 H252 Cu36 N36 O144 -","36","1","","Xinfang Liu; Minhak Oh; Myoung Soo Lah","Size- and Shape-Selective Isostructural Microporous Metal-Organic Frameworks with Different Effective Aperture Sizes","Inorganic Chemistry","2011","50","","5044","5053","10.1021/ic200328q","","","0.75","synchrotron","","0.0875","0.073","","","0.1922","0.2013","","","","","","1.053","","","","has coordinates","198632","2020-10-21","18:00:00","" "4325214","18.218","0.003","18.218","0.003","72.761","0.015","90","","90","","120","","20914","7","99","2","99","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C15 H7 Cu N O4 -","- C15 H7 Cu N O4 -","- C540 H252 Cu36 N36 O144 -","36","1","","Xinfang Liu; Minhak Oh; Myoung Soo Lah","Size- and Shape-Selective Isostructural Microporous Metal-Organic Frameworks with Different Effective Aperture Sizes","Inorganic Chemistry","2011","50","","5044","5053","10.1021/ic200328q","","","0.75","synchrotron","","0.0802","0.0524","","","0.1279","0.1412","","","","","","1.074","","","","has coordinates","198632","2020-10-21","18:00:00","" "4326406","13.9483","0.0003","13.9483","0.0003","75.476","0.003","90","","90","","120","","12716.9","0.6","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","C36 H26.50 Fe N6 O1.25 Se7 Sn3","","- C36 H26.5 Fe N6 O1.25 Se7 Sn3 -","- C36 H24 Fe N6 O1.25 Se7 Sn3 -","- C432 H288 Fe12 N72 O15 Se84 Sn36 -","12","0.333333","","Guang-Ning Liu; Guo-Cong Guo; Ming-Jian Zhang; Jin-Shuang Guo; Hui-Yi Zeng; Jin-Shun Huang","Different Effects of a Cotemplate and [(Transition-Metal)(1,10-Phenanthroline)m]2+ (m= 1-3) Complex Cations on the Self-assembly of a Series of Hybrid Selenidostannates Showing Combined Optical Properties of Organic and Inorganic Components","Inorganic Chemistry","2011","50","","9660","9669","10.1021/ic201413h","","","0.71073","MoKα","","0.042","0.0364","","","0.0877","0.0894","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00","" "4326427","8.3371","0.0008","8.3371","0.0008","22.909","0.005","90","","90","","120","","1379","0.4","295","2","273","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H3 Mn N0.99 O6 -","- C30 H18 Mn6 N5.94 O36 -","6","0.166667","","M. Sánchez-Andújar; S. Presedo; S. Yáñez-Vilar; S. Castro-García; J. Shamir; M. A. Señarís-Rodríguez","Correction to Characterization of the Order-Disorder Dielectric Transition in the Hybrid Organic-Inorganic Perovskite-like Formate Mn(HCOO)3[(CH3)2NH2]","Inorganic Chemistry","2011","50","","9734","9734","10.1021/ic201638t","","","0.71073","MoKα","","0.0347","0.0288","","","0.0798","0.0838","","","","","","1.188","","","","has coordinates","179367","2020-10-21","18:00:00","" "4326708","23.9647","0.001","23.9647","0.001","40.979","0.003","90","","90","","120","","20381.5","1.9","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C14 H11.5 Cl0.5 Cu2.5 N6 O7 -","- C14 H11.5 Cl0.5 Cu2.5 N6 O7 -","- C504 H414 Cl18 Cu90 N216 O252 -","36","1","","Juan Xiao; Bao-Yu Liu; Gang Wei; Xiao-Chun Huang","Solvent Induced Diverse Dimensional Coordination Assemblies of Cupric Benzotriazole-5-carboxylate: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2011","50","","11032","11038","10.1021/ic201571n","","","0.71073","MoKα","","0.0765","0.0597","","","0.1563","0.1669","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00","" "4326735","19.9314","0.0007","19.9314","0.0007","32.9481","0.0016","90","","90","","120","","11335.4","0.8","172","2","172","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C30.33 H20.67 Cl0.67 Ir N3 O2 -","- C30.33 H20.68 Cl0.66 Ir N3 O2 -","- C545.94 H372.24 Cl11.88 Ir18 N54 O36 -","18","0.5","","Shu Qinghai; Jan W. Bats; Michael Schmittel","Two Closely Related Iridium(III) Complexes as Colorimetric and Fluorometric Chemodosimeters for Nitrite in Aqueous Solution Operating along Different Modes of Action","Inorganic Chemistry","2011","50","","10531","10533","10.1021/ic201753v","","","0.71073","MoKα","","0.0819","0.0447","","","0.0658","0.0729","","","","","","1.098","","","","has coordinates","179370","2020-10-21","18:00:00","" "4327091","15.178","0.0006","15.178","0.0006","69.1","0.003","90","","90","","120","","13786","1","125","2","125","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C41 H56 B Cl4 I N6 S3 Zn -","- C39 H52 B I N6 S3 Zn -","- C468 H624 B12 I12 N72 S36 Zn12 -","12","0.333333","","Kevin Yurkerwich; Michael Yurkerwich; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-mercapto-1-adamantylimidazolyl)hydroborato Complexes: A Sterically Demanding Tripodal [S3] Donor Ligand","Inorganic Chemistry","2011","50","","12284","12295","10.1021/ic201504d","","","0.71073","MoKα","","0.0612","0.0381","","","0.1126","0.1161","","","","","","1.063","","","","has coordinates","179373","2020-10-21","18:00:00","" "4327263","11.919","0.004","11.919","0.004","57.12","0.03","90","","90","","120","","7027","5","293.1","","","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C18 H29.5 Co I0.5 N10 O4 -","- C18 H29.5 Co I0.5 N10 O4 -","- C216 H354 Co12 I6 N120 O48 -","12","0.333333","","Hirofumi Nakamura; Yukinari Sunatsuki; Masaaki Kojima; Naohide Matsumoto","Chiral Recognition and Conglomerate Crystallization Induced by Self-Organization of Cobalt(III) Complexes of a Tripodal Ligand Containing Three Imidazole Groups","Inorganic Chemistry","2007","46","","8170","8181","10.1021/ic070286+","","","0.71075","MoKα","","","0.0263","","","","0.0674","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00","" "4327404","10.3041","0.0004","10.3041","0.0004","13.847","0.0007","90","","90","","120","","1273.23","0.1","293","","293","","","","","","","","?","5","R -3 c :H","-R 3 2""c","167","","Cesium chlorocyanocuprate","","- C3 Cl Cs Cu3 N3 -","- C3 Cl Cs Cu3 N3 -","- C18 Cl6 Cs6 Cu18 N18 -","6","0.166667","","Ann M. Chippindale; Simon J. Hibble; Andrew R. Cowley","Bending, Twisting, and Breaking CuCN Chains to Produce Framework Materials: The Reactions of CuCN with Alkali-Metal Halides","Inorganic Chemistry","2004","43","","8040","8048","10.1021/ic049011+","","","0.71073","MoKα","","0.0345","0.0292","","0.0556","0.032","0.032","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00","" "4327405","10.461","0.0005","10.461","0.0005","13.982","0.0005","90","","90","","120","","1325.09","0.1","293","","293","","","","","","","","?","5","R -3 c :H","-R 3 2""c","167","","Cesium Bromocyanocuprate","","- C3 Br Cs Cu3 N3 -","- C3 Br Cs Cu3 N3 -","- C18 Br6 Cs6 Cu18 N18 -","6","0.166667","","Ann M. Chippindale; Simon J. Hibble; Andrew R. Cowley","Bending, Twisting, and Breaking CuCN Chains to Produce Framework Materials: The Reactions of CuCN with Alkali-Metal Halides","Inorganic Chemistry","2004","43","","8040","8048","10.1021/ic049011+","","","0.71073","MoKα","","0.054","0.0286","","0.0684","0.0363","0.0363","","","","","","1.0183","","","","has coordinates","176467","2020-10-21","18:00:00","" "4328164","27.2955","0.0007","27.2955","0.0007","31.6049","0.0013","90","","90","","120","","20392.3","1.1","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C60 H114 Bi10 I24 O28 -","- C60 H114 Bi10 I24 O28 -","- C360 H684 Bi60 I144 O168 -","6","0.166667","","Kirill Yu. Monakhov; Christophe Gourlaouen; Roberto Pattacini; Pierre Braunstein","Heptabismuthate [Bi7I24]3-: A Main Group Element Anderson-Type Structure and Its Relationships with the Polyoxometalates","Inorganic Chemistry","2012","51","","1562","1568","10.1021/ic201859c","","x-ray","0.71073","MoKα","","0.1136","0.0615","","","0.1954","0.2155","","","","","","1.12","","","","has coordinates","179384","2020-10-21","18:00:00","" "4328835","12.1632","0.0006","12.1632","0.0006","79.544","0.004","90","","90","","120","","10191.4","0.9","150","2","150","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C7 H62 N24 Ni3 O10 Re12 S17 -","- C7 H61.92 N24 Ni3 O9.96 Re12 S17 -","- C42 H371.52 N144 Ni18 O59.76 Re72 S102 -","6","0.166667","","Yuri V. Mironov; Yakov M. Gayfulin; Svetlana G. Kozlova; Anton I. Smolentsev; Maria S. Tarasenko; Anton S. Nizovtsev; Vladimir E. Fedorov","Selective Two-Step Oxidation of μ2-S Ligands in Trigonal Prismatic Unit {Re3(μ6-C)(μ2-S)3Re3} of the Bioctahedral Cluster Anion [Re12CS17(CN)6]6-","Inorganic Chemistry","2012","51","","4359","4367","10.1021/ic300051w","","","0.71073","MoKα","","0.0624","0.0559","","","0.1184","0.1199","","","","","","1.389","","","","has coordinates,has disorder","202193","2020-10-21","18:00:00","" "4329694","20.758","0.012","20.758","0.012","158.36","0.13","90","","90","","120","","59095","7","273","2","273","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C72 H103 Cu12 Mo36 N36 O149 P3 -","- C72 Cu12 Mo37.5 N36 O151.51 P3.5 -","- C864 Cu144 Mo450 N432 O1818.12 P42 -","12","0.333333","","Chan-Zi Ruan; Ru Wen; Min-Xia Liang; Xiang-Jian Kong; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","Two Triazole-Based Metal-Organic Frameworks Constructed from Nanosized Cu20 and Cu30 Wheels","Inorganic Chemistry","2012","51","","7587","7591","10.1021/ic3003299","","","0.71073","MoKα","","0.1718","0.1423","","","0.2777","0.2938","","","","","","1.261","","","","has coordinates","179399","2020-10-21","18:00:00","" "4329777","13.3107","0.0007","13.3107","0.0007","69.741","0.007","90","","90","","120","","10700.9","1.3","163","2","163","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C90 H78 N6 Ti -","- C90 H78 N6 Ti -","- C540 H468 N36 Ti6 -","6","0.166667","","Kensha Marie Clark; Jesper Bendix; Alan F. Heyduk; Joseph W. Ziller","Synthesis and Characterization of a Neutral Titanium Tris(iminosemiquinone) Complex Featuring Redox-Active Ligands","Inorganic Chemistry","2012","51","","7457","7459","10.1021/ic301059p","","","0.71073","MoKα","","0.0483","0.0381","","","0.1044","0.114","","","","","","1.061","","","","has coordinates","211332","2020-10-21","18:00:00","" "4330121","20.8027","0.0008","20.8027","0.0008","58.306","0.004","90","","90","","120","","21851.6","1.9","123","2","123","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C60 H68 N9 Na3 O31 Tb3 -","- C60 H59.001 N9 Na3 O31 Tb3 -","- C720 H708.012 N108 Na36 O372 Tb36 -","12","0.333333","","William J. Gee; Jonathan G. MacLellan; Craig M. Forsyth; Boujemaa Moubaraki; Keith S. Murray; Philip C. Andrews; Peter C. Junk","Caging Peroxide: Anion-Templated Synthesis and Characterization of a Rare-Earth Cluster","Inorganic Chemistry","2012","51","","8661","8663","10.1021/ic301382r","","","0.71073","MoKα","","0.0713","0.0564","","","0.1104","0.1167","","","","","","1.152","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00","" "4330744","12.1196","0.0002","12.1196","0.0002","13.9803","0.0005","90","","90","","120","","1778.38","0.08","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ba3 In Pr S6 -","- Ba3 In0.981 Pr0.9858 S6 -","- Ba18 In5.886 Pr5.9148 S36 -","6","0.166667","","Kai Feng; Youguo Shi; Wenlong Yin; Wendong Wang; Jiyong Yao; Yicheng Wu","Ba3LnInS6 (Ln = Pr, Sm, Gd, Yb) and Ba2LnGaS5 (Ln = Pr, Nd): Syntheses, Structures, and Magnetic and Optical Properties","Inorganic Chemistry","2012","51","","11144","11149","10.1021/ic301750x","","","0.71073","MoKα","","0.0126","0.0122","","","0.0293","0.0293","","","","","","1.563","","","","has coordinates","179410","2020-10-21","18:00:00","" "4330745","12.0631","0.0017","12.0631","0.0017","13.853","0.003","90","","90","","120","","1745.8","0.5","153","2","153","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ba3 In S6 Sm -","- Ba3 In S6 Sm -","- Ba18 In6 S36 Sm6 -","6","0.166667","","Kai Feng; Youguo Shi; Wenlong Yin; Wendong Wang; Jiyong Yao; Yicheng Wu","Ba3LnInS6 (Ln = Pr, Sm, Gd, Yb) and Ba2LnGaS5 (Ln = Pr, Nd): Syntheses, Structures, and Magnetic and Optical Properties","Inorganic Chemistry","2012","51","","11144","11149","10.1021/ic301750x","","","0.71073","MoKα","","0.022","0.0199","","","0.0377","0.0383","","","","","","1.21","","","","has coordinates","179410","2020-10-21","18:00:00","" "4330746","12.0718","0.0017","12.0718","0.0017","13.816","0.003","90","","90","","120","","1743.6","0.5","153","2","153","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Gd In S6 -","- Ba3 Gd In S6 -","- Ba18 Gd6 In6 S36 -","6","0.166667","","Kai Feng; Youguo Shi; Wenlong Yin; Wendong Wang; Jiyong Yao; Yicheng Wu","Ba3LnInS6 (Ln = Pr, Sm, Gd, Yb) and Ba2LnGaS5 (Ln = Pr, Nd): Syntheses, Structures, and Magnetic and Optical Properties","Inorganic Chemistry","2012","51","","11144","11149","10.1021/ic301750x","","","0.71073","MoKα","","0.0252","0.0225","","","0.0569","0.0581","","","","","","1.065","","","","has coordinates","179410","2020-10-21","18:00:00","" "4330747","12.0565","0.0017","12.0565","0.0017","13.713","0.003","90","","90","","120","","1726.3","0.5","153","2","153","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ba3 In S6 Yb -","- Ba3 In1.001 S6 Yb0.999 -","- Ba18 In6.006 S36 Yb5.994 -","6","0.166667","","Kai Feng; Youguo Shi; Wenlong Yin; Wendong Wang; Jiyong Yao; Yicheng Wu","Ba3LnInS6 (Ln = Pr, Sm, Gd, Yb) and Ba2LnGaS5 (Ln = Pr, Nd): Syntheses, Structures, and Magnetic and Optical Properties","Inorganic Chemistry","2012","51","","11144","11149","10.1021/ic301750x","","","0.71073","MoKα","","0.0201","0.0177","","","0.0388","0.0399","","","","","","0.922","","","","has coordinates","179410","2020-10-21","18:00:00","" "4331294","19.3717","0.0007","19.3717","0.0007","52.616","0.002","90","","90","","120","","17099.5","1.1","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C49.5 H57 Mn4 N15 O8.5 -","- C49.5 H57 Mn4 N15 O8.5 -","- C594 H684 Mn48 N180 O102 -","12","0.333333","","Hui-Lien Tsai; Chen-I Yang; Wolfgang Wernsdorfer; Siang-Hua Huang; Siang-Yu Jhan; Ming-Hsuan Liu; Gene-Hsiang Lee","Mn4 Single-Molecule-Magnet-Based Polymers of a One-Dimensional Helical Chain and a Three-Dimensional Network: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","13171","13180","10.1021/ic3014333","","","0.71073","MoKα","","0.0964","0.0638","","","0.1845","0.2109","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00","" "4331792","14.5886","0.0009","14.5886","0.0009","28.99","0.003","90","","90","","120","","5343.3","0.7","200","2","200","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Al3 Ba3 P5 -","- Al3 Ba3 P5 -","- Al54 Ba54 P90 -","18","0.5","","Hua He; Chauntae Tyson; Maia Saito; Svilen Bobev","Synthesis, Crystal and Electronic Structures of the New Zintl phases Ba3Al3Pn5 (Pn= P, As) and Ba3Ga3P5","Inorganic Chemistry","2013","52","","499","505","10.1021/ic302437t","","","0.71073","MoKα","","0.0223","0.0181","","","0.0407","0.0425","","","","","","1.078","","","","has coordinates","179420","2020-10-21","18:00:00","" "4331794","14.613","0.003","14.613","0.003","28.884","0.008","90","","90","","120","","5342","2","200","2","200","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Ga3 P5 -","- Ba3 Ga3 P5 -","- Ba54 Ga54 P90 -","18","0.5","","Hua He; Chauntae Tyson; Maia Saito; Svilen Bobev","Synthesis, Crystal and Electronic Structures of the New Zintl phases Ba3Al3Pn5 (Pn= P, As) and Ba3Ga3P5","Inorganic Chemistry","2013","52","","499","505","10.1021/ic302437t","","","0.71073","MoKα","","0.04","0.0273","","","0.0467","0.0505","","","","","","1.037","","","","has coordinates","179420","2020-10-21","18:00:00","" "4331796","14.9727","0.0013","14.9727","0.0013","29.689","0.004","90","","90","","120","","5764","1.1","200","2","200","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Al3 As5 Ba3 -","- Al3 As5 Ba3 -","- Al54 As90 Ba54 -","18","0.5","","Hua He; Chauntae Tyson; Maia Saito; Svilen Bobev","Synthesis, Crystal and Electronic Structures of the New Zintl phases Ba3Al3Pn5 (Pn= P, As) and Ba3Ga3P5","Inorganic Chemistry","2013","52","","499","505","10.1021/ic302437t","","","0.71073","MoKα","","0.0292","0.0217","","","0.0382","0.0403","","","","","","1.038","","","","has coordinates","179420","2020-10-21","18:00:00","" "4332133","18.407","0.0014","18.407","0.0014","22.544","0.003","90","","90","","120","","6615","1.1","123","2","123","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C12 H12 Cu3 N6 O40 P W12 -","- C12 H12 Cu3 N6 O40 P W12 -","- C72 H72 Cu18 N36 O240 P6 W72 -","6","0.166667","","Ren, Yan-Ping; Kong, Xiang-Jian; Hu, Xiang-Yang; Sun, Meng; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Influence of Steric Hindrance of Organic Ligand on the Structure of Keggin-Based Coordination Polymer","Inorganic Chemistry","2006","45","10","4016","4023","10.1021/ic060004q","","","0.71073","MoKα","","0.0593","0.0582","","","0.1291","0.1297","","","","","","1.189","","","","has coordinates","179424","2020-10-21","18:00:00","" "4332189","9.477","0.0002","9.477","0.0002","11.4901","0.0004","90","","90","","120","","893.71","0.04","294","1","294","1","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- La2.47 Na1.53 O6 Rh -","- La2.466 Na1.534 O6 Rh -","- La14.796 Na9.204 O36 Rh6 -","6","0.166667","","Macquart, René B.; Gemmill, William R.; Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Single-Crystal Structure of the 2H-Related Perovskites (A3-xNax)NaBO6(A = La, Pr, Nd; B = Rh, Pt)","Inorganic Chemistry","2006","45","11","4391","4395","10.1021/ic060105o","","","0.71073","MoKα","","0.036","0.0293","","","0.0533","0.0551","","","","","","1.162","","","","has coordinates","179424","2020-10-21","18:00:00","" "4332190","9.3534","0.0002","9.3534","0.0002","11.3386","0.0005","90","","90","","120","","859.07","0.05","150","2","150","1","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Na1.55 O6 Pr2.45 Rh -","- Na1.552 O6 Pr2.448 Rh -","- Na9.312 O36 Pr14.688 Rh6 -","6","0.166667","","Macquart, René B.; Gemmill, William R.; Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Single-Crystal Structure of the 2H-Related Perovskites (A3-xNax)NaBO6(A = La, Pr, Nd; B = Rh, Pt)","Inorganic Chemistry","2006","45","11","4391","4395","10.1021/ic060105o","","","0.71073","MoKα","","0.0322","0.0279","","","0.0446","0.0453","","","","","","1.263","","","","has coordinates","179424","2020-10-21","18:00:00","" "4332191","9.3352","0.0009","9.3352","0.0009","11.304","0.002","90","","90","","120","","853.12","0.19","294","2","294","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Na1.55 Nd2.45 O6 Rh -","- Na1.546 Nd2.454 O6 Rh -","- Na9.276 Nd14.724 O36 Rh6 -","6","0.166667","","Macquart, René B.; Gemmill, William R.; Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Single-Crystal Structure of the 2H-Related Perovskites (A3-xNax)NaBO6(A = La, Pr, Nd; B = Rh, Pt)","Inorganic Chemistry","2006","45","11","4391","4395","10.1021/ic060105o","","","0.71073","MoKα","","0.03","0.0257","","","0.0449","0.046","","","","","","1.057","","","","has coordinates","179424","2020-10-21","18:00:00","" "4332192","9.3618","0.0003","9.3618","0.0003","11.2959","0.0006","90","","90","","120","","857.37","0.06","294","2","294","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Na2 Nd2 O6 Pt -","- Na1.99 Nd2.01 O6 Pt -","- Na11.94 Nd12.06 O36 Pt6 -","6","0.166667","","Macquart, René B.; Gemmill, William R.; Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Single-Crystal Structure of the 2H-Related Perovskites (A3-xNax)NaBO6(A = La, Pr, Nd; B = Rh, Pt)","Inorganic Chemistry","2006","45","11","4391","4395","10.1021/ic060105o","","","0.71073","MoKα","","0.0275","0.0262","","","0.0607","0.0615","","","","","","1.142","","","","has coordinates","179424","2020-10-21","18:00:00","" "4332852","11.3952","0.0019","11.3952","0.0019","43.722","0.007","90","","90","","120","","4916.7","1.4","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","CsFm","","- Cs H5 O39 U12 -","- Cs O39 U12 -","- Cs6 O234 U72 -","6","0.166667","","Kubatko, Karrie-Ann; Burns, Peter C.","Cation−Cation Interactions in Sr5(UO2)20(UO6)2O16(OH)6(H2O)6and Cs(UO2)9U3O16(OH)5","Inorganic Chemistry","2006","45","25","10277","10281","10.1021/ic0609453","","","0.71073","MoKα","","0.0476","0.0308","","","0.0433","0.0457","","","","","","0.871","","","","has coordinates","176432","2020-10-21","18:00:00","" "4333292","23.268","0.003","23.268","0.003","46.969","0.009","90","","90","","120","","22022","6","120","2","120","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C16 H36 N O14.33 P0.33 Sn0.33 W3.67 -","- C16 H36 N O14.3333 P0.333333 Sn0.34 W3.66 -","- C288 H648 N18 O258 P6 Sn6.12 W65.88 -","18","0.5","","Bar-Nahum, Itsik; Ettedgui, Jessica; Konstantinovski, Leonid; Kogan, Vladimir; Neumann, Ronny","A New Method for the Synthesis of Organopolyoxometalate Hybrid Compounds","Inorganic Chemistry","2007","46","14","5798","5804","10.1021/ic700540g","","","0.71073","MoKα","","0.1144","0.0806","","","0.2184","0.2407","","","","","","1.113","","","","has coordinates,has disorder","179435","2020-10-21","18:00:00","" "4333310","12.19","0.003","12.19","0.003","30.035","0.003","90","0.013","90","0.013","120","0.017","3865.1","1.5","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C18 H18 Mn3 N6 O18 -","- C18 H18 Mn3 N6 O18 -","- C108 H108 Mn18 N36 O108 -","6","0.166667","","Sun, Wei-Wei; Cheng, Ai-Ling; Jia, Qin-Xiang; Gao, En-Qing","Metal-coordination-directed assembly of binuclear trigonal prisms and three-dimensional hydrogen-bonded networks.","Inorganic chemistry","2007","46","14","5471","5473","10.1021/ic700610p","","","0.71073","MoKα","","0.0562","0.0302","","","0.0612","0.0672","","","","","","0.852","","","","has coordinates","179436","2020-10-21","18:00:00","" "4333809","28.6989","0.0003","28.6989","0.0003","132.1838","0.0012","90","","90","","120","","94284.3","1.6","293","2","130","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C238 H434 F42 Fe36 N44 O302 P44 S14 -","- C237.88 H187.8 F42.06 Fe36 N43.98 O301.52 P44 S14.02 -","- C1427.28 H1126.8 F252.36 Fe216 N263.88 O1809.12 P264 S84.12 -","6","0.166667","","Christine M. Beavers; Andrey V. Prosverin; John D. Cashion; Kim R. Dunbar; Anne F. Richards","An Unprecedented Fe36 Phosphonate Cage","Inorganic Chemistry","2013","52","","1670","1672","10.1021/ic3020145","","","1.54184","CuKα","","0.1698","0.148","","","0.4356","0.4606","","","","","","2.156","","","","has coordinates,has disorder","179441","2020-10-21","18:00:00","" "4334133","11.8774","0.0005","11.8774","0.0005","129.387","0.006","90","","90","","120","","15807.5","1.2","120","","120","","","","","","","","","9","R -3 c :H","-R 3 2""c","167","","","","- C48.95 H84 Co I0.05 N3 O1.95 P3 Si Zr -","- C48.954 H84 Co I0.046 N3 O1.954 P3 Si Zr -","- C587.448 H1008 Co12 I0.552 N36 O23.448 P36 Si12 Zr12 -","12","0.333333","","Jeremy P. Krogman; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Synthesis, Structure, and Reactivity of an Anionic Zr-Oxo Relevant to CO2 Reduction by a Zr/Co Heterobimetallic Complex","Inorganic Chemistry","2013","52","","3022","3031","10.1021/ic302473j","","","0.71073","MoKα","","0.0575","0.0382","","0.0927","0.0817","0.0927","","","","","","0.9701","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00","" "4334479","17.205","0.002","17.205","0.002","46.944","0.008","90","","90","","120","","12034","3","200","2","200","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C42 H72 Cr N6 -","- C42 H72 Cr N6 -","- C504 H864 Cr12 N72 -","12","0.333333","","Mei Wang; Jason England; Thomas Weyhermüller; Swarna-Latha Kokatam; Christopher J. Pollock; Serena DeBeer; Jingmei Shen; Glenn P.A. Yap; Klaus H. Theopold; Karl Wieghardt","New Complexes of Chromium(III) Containing Organic π-Radical Ligands: An Experimental and Density Functional Theory Study","Inorganic Chemistry","2013","52","","4472","4487","10.1021/ic302743s","","","0.71073","MoKα","","0.0569","0.0446","","","0.1043","0.1124","","","","","","1.013","","","","has coordinates","179447","2020-10-21","18:00:00","" "4334482","18.1839","0.0013","18.1839","0.0013","15.4582","0.0016","90","","90","","120","","4426.5","0.6","100","2","100","2","","","","","","","tetrahydrofuran, hexane","4","R -3 c :H","-R 3 2""c","167","","","","- C36 H36 Cr N6 -","- C36 H36 Cr N6 -","- C216 H216 Cr6 N36 -","6","0.166667","","Mei Wang; Jason England; Thomas Weyhermüller; Swarna-Latha Kokatam; Christopher J. Pollock; Serena DeBeer; Jingmei Shen; Glenn P.A. Yap; Klaus H. Theopold; Karl Wieghardt","New Complexes of Chromium(III) Containing Organic π-Radical Ligands: An Experimental and Density Functional Theory Study","Inorganic Chemistry","2013","52","","4472","4487","10.1021/ic302743s","","","0.71073","MoKα","","0.0456","0.0402","","","0.1107","0.1186","","","","","","1.094","","","","has coordinates","179447","2020-10-21","18:00:00","" "4335615","11.4271","0.0016","11.4271","0.0016","36.913","0.007","90","","90","","120","","4174.3","1.1","143.15","","143.15","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","magnesium octastrontium octadeca-borate","","- B18 Mg O36 Sr8 -","- B18 Mg O36 Sr8 -","- B108 Mg6 O216 Sr48 -","6","0.166667","","Wenjiao Yao; Xingxing Jiang; Hongwei Huang; Tao Xu; Xiaoshan Wang; Zheshuai Lin; Chuangtian Chen","Sr8MgB18O36: a New Alkaline-Earth Borate with a Novel Zero-Dimensional (B18O36)18- Anion Ring","Inorganic Chemistry","2013","52","","8291","8293","10.1021/ic401167z","","","0.71073","MoKα","","0.0363","0.0331","","","0.0618","0.0627","","","","","","1.293","","","","has coordinates","176467","2020-10-21","18:00:00","" "4336051","10.9642","0.0003","10.9642","0.0003","17.033","0.0007","90","","90","","120","","1773.27","0.1","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- B9 Ba Li O15 -","- B9 Ba Li O15 -","- B54 Ba6 Li6 O90 -","6","0.166667","","Han-Qing Wu; Ping Ju; Huan He; Bai-Feng Yang; Guo-Yu Yang","Three New Mixed-Alkali- and Alkaline-Earth-Metal Borates: From 1D Chain to 2D Layer to 3D Framework","Inorganic Chemistry","2013","52","","10566","10570","10.1021/ic4015465","","","0.71073","MoKα","","0.0196","0.0145","","","0.0334","0.0351","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00","" "4336883","8.3975","0.0004","8.3975","0.0004","21.842","0.003","90","","90","","120","","1333.9","0.2","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.09 Sr2 Zn2.91 -","- Au6.093 Sr2 Zn2.907 -","- Au36.558 Sr12 Zn17.442 -","6","0.166667","","Trinath Mishra; Qisheng Lin; John D. Corbett","Gold Network Structures in Rhombohedral and Monoclinic Sr2Au6(Au,T)3 (T = Zn, Ga). A Transition via Relaxation","Inorganic Chemistry","2013","52","","13623","13630","10.1021/ic402145k","","","0.71073","MoKα","","0.027","0.0216","","","0.0515","0.0543","","","","","","1.052","","","","has coordinates","179471","2020-10-21","18:00:00","" "4336884","8.4198","0.0004","8.4198","0.0004","21.895","0.003","90","","90","","120","","1344.2","0.2","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.14 Sr2 Zn2.86 -","- Au6.144 Sr2 Zn2.856 -","- Au36.864 Sr12 Zn17.136 -","6","0.166667","","Trinath Mishra; Qisheng Lin; John D. Corbett","Gold Network Structures in Rhombohedral and Monoclinic Sr2Au6(Au,T)3 (T = Zn, Ga). A Transition via Relaxation","Inorganic Chemistry","2013","52","","13623","13630","10.1021/ic402145k","","","0.71073","MoKα","","0.0233","0.0204","","","0.0427","0.0437","","","","","","1.045","","","","has coordinates","179471","2020-10-21","18:00:00","" "4336885","8.4506","0.0004","8.4506","0.0004","21.889","0.003","90","","90","","120","","1353.7","0.2","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.49 Sr2 Zn2.51 -","- Au6.489 Sr2 Zn2.511 -","- Au38.934 Sr12 Zn15.066 -","6","0.166667","","Trinath Mishra; Qisheng Lin; John D. Corbett","Gold Network Structures in Rhombohedral and Monoclinic Sr2Au6(Au,T)3 (T = Zn, Ga). A Transition via Relaxation","Inorganic Chemistry","2013","52","","13623","13630","10.1021/ic402145k","","","0.71073","MoKα","","0.0356","0.0269","","","0.0514","0.0541","","","","","","1.11","","","","has coordinates","179471","2020-10-21","18:00:00","" "4336888","8.4334","0.0003","8.4334","0.0003","21.916","0.002","90","","90","","120","","1349.89","0.14","296","2","296","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.09 Ga2.91 Sr2 -","- Au6.081 Ga2.919 Sr2 -","- Au36.486 Ga17.514 Sr12 -","6","0.166667","","Trinath Mishra; Qisheng Lin; John D. Corbett","Gold Network Structures in Rhombohedral and Monoclinic Sr2Au6(Au,T)3 (T = Zn, Ga). A Transition via Relaxation","Inorganic Chemistry","2013","52","","13623","13630","10.1021/ic402145k","","","0.71073","MoKα","","0.0396","0.0314","","","0.0727","0.0763","","","","","","1.136","","","","has coordinates","179471","2020-10-21","18:00:00","" "4337191","17.8824","0.0003","17.8824","0.0003","72.9661","0.0014","90","","90","","120","","20207.1","0.6","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C110 H159 N63 Ni9 O12 -","- C110 H156 N63 Ni9 O12 -","- C660 H936 N378 Ni54 O72 -","6","0.166667","","Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert","Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.","Inorganic chemistry","2014","53","2","1113","1121","10.1021/ic402651k","","","0.71073","MoKα","","0.0353","0.0267","","","0.0715","0.0784","","","","","","1.065","","","","has coordinates","179474","2020-10-21","18:00:00","" "4337192","17.918","0.005","17.918","0.005","73.01","0.02","90","","90","","120","","20300","10","105","2","105","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C108 H160 B2 F8 N60 Ni9 O8 -","- C108 H156 B2 F8 N60 Ni9 O8 -","- C648 H936 B12 F48 N360 Ni54 O48 -","6","0.166667","","Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert","Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.","Inorganic chemistry","2014","53","2","1113","1121","10.1021/ic402651k","","","0.71073","MoKα","","0.0794","0.0651","","","0.1914","0.2056","","","","","","1.157","","","","has coordinates","179474","2020-10-21","18:00:00","" "4337193","17.9145","0.0008","17.9145","0.0008","72.917","0.005","90","","90","","120","","20266","1.9","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C109 H160 F2 N60 Ni9 O7 -","- C109 H156 F2.04 N60 Ni9 O7 -","- C654 H936 F12.24 N360 Ni54 O42 -","6","0.166667","","Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert","Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.","Inorganic chemistry","2014","53","2","1113","1121","10.1021/ic402651k","","","0.71073","MoKα","","0.0708","0.0459","","","0.146","0.1632","","","","","","1.077","","","","has coordinates","179474","2020-10-21","18:00:00","" "4337194","18.0085","0.0009","18.0085","0.0009","73.205","0.005","90","","90","","120","","20560","2","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C216 H314 Cl4 N120 Ni18 O13 -","- C216 H312 Cl4.08 N120 Ni18 O13 -","- C648 H936 Cl12.24 N360 Ni54 O39 -","3","0.0833333","","Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert","Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.","Inorganic chemistry","2014","53","2","1113","1121","10.1021/ic402651k","","","0.71073","MoKα","","0.0742","0.0379","","","0.1056","0.1265","","","","","","1.043","","","","has coordinates","179474","2020-10-21","18:00:00","" "4337195","18.0774","0.0008","18.0774","0.0008","72.889","0.004","90","","90","","120","","20628.4","1.7","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C108 H156 Br3 N57 Ni9 O7 -","- C108 H156 Br3.04 N57 Ni9 O7 -","- C648 H936 Br18.24 N342 Ni54 O42 -","6","0.166667","","Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert","Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.","Inorganic chemistry","2014","53","2","1113","1121","10.1021/ic402651k","","","0.71073","MoKα","","0.0734","0.0501","","","0.1466","0.1676","","","","","","1.066","","","","has coordinates","179474","2020-10-21","18:00:00","" "4337196","17.9113","0.0012","17.9113","0.0012","72.574","0.005","90","","90","","120","","20163","2","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C108 H160 I3 N57 Ni9 O8 -","- C108 H156 I3 N57 Ni9 O8 -","- C648 H936 I18 N342 Ni54 O48 -","6","0.166667","","Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert","Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.","Inorganic chemistry","2014","53","2","1113","1121","10.1021/ic402651k","","","0.71073","MoKα","","0.0761","0.0545","","","0.1679","0.1883","","","","","","1.061","","","","has coordinates","179474","2020-10-21","18:00:00","" "4337197","17.792","0.0005","17.792","0.0005","72.826","0.003","90","","90","","120","","19964.9","1.1","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C104 H154 Cl2 N66 Ni9 O16 -","- C104 H150 Cl2 N66 Ni9 O15.98 -","- C624 H900 Cl12 N396 Ni54 O95.88 -","6","0.166667","","Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert","Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.","Inorganic chemistry","2014","53","2","1113","1121","10.1021/ic402651k","","","0.71073","MoKα","","0.0598","0.0452","","","0.1127","0.1266","","","","","","1.028","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00","" "4337708","12.163","0.0003","12.163","0.0003","13.94","0.0004","90","","90","","120","","1785.97","0.08","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ag Ba3 S6 U -","- Ag Ba3 S6 U -","- Ag6 Ba18 S36 U6 -","6","0.166667","","Mesbah, Adel; Malliakas, Christos D.; Lebègue, Sébastien; Sarjeant, Amy A.; Stojko, Wojciech; Koscielski, Lukasz A.; Ibers, James A.","Syntheses, Structures, and Electronic Properties of Ba3FeUS6 and Ba3AgUS6.","Inorganic chemistry","2014","53","6","2899","2903","10.1021/ic4026574","","","0.71073","MoKα","","0.0138","0.0132","","","0.0276","0.0276","","","","","","2.597","","","","has coordinates","179480","2020-10-21","18:00:00","" "4337709","12.0314","0.0004","12.0314","0.0004","13.3812","0.0005","90","","90","","120","","1677.48","0.1","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Fe S6 U -","- Ba3 Fe S6 U -","- Ba18 Fe6 S36 U6 -","6","0.166667","","Mesbah, Adel; Malliakas, Christos D.; Lebègue, Sébastien; Sarjeant, Amy A.; Stojko, Wojciech; Koscielski, Lukasz A.; Ibers, James A.","Syntheses, Structures, and Electronic Properties of Ba3FeUS6 and Ba3AgUS6.","Inorganic chemistry","2014","53","6","2899","2903","10.1021/ic4026574","","","0.71073","MoKα","","0.0213","0.021","","","0.0556","0.0558","","","","","","1.336","","","","has coordinates","179480","2020-10-21","18:00:00","" "4337840","14.9059","0.001","14.9059","0.001","44.895","0.003","90","","90","","120","","8638.6","1","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- P8 Rb6 S32 Sb2 U3 -","- P8 Rb6 S32 Sb2 U3 -","- P48 Rb36 S192 Sb12 U18 -","6","0.166667","","Babo, Jean-Marie; Diefenbach, Kariem; Albrecht-Schmitt, Thomas E","A6U3Sb2P8S32 (A = Rb, Cs): Quinary Uranium(IV) Thiophosphates Containing the [Sb(PS4)3](6-) Anion.","Inorganic chemistry","2014","53","7","3540","","10.1021/ic403044x","","","0.71073","MoKα","","0.0369","0.0304","","","0.0815","0.0833","","","","","","1.082","","","","has coordinates","179481","2020-10-21","18:00:00","" "4337841","14.9846","0.0013","14.9846","0.0013","46.139","0.004","90","","90","","120","","8972","1.3","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Cs6 P8 S32 Sb2 U3 -","- Cs6 P8 S32 Sb2 U3 -","- Cs36 P48 S192 Sb12 U18 -","6","0.166667","","Babo, Jean-Marie; Diefenbach, Kariem; Albrecht-Schmitt, Thomas E","A6U3Sb2P8S32 (A = Rb, Cs): Quinary Uranium(IV) Thiophosphates Containing the [Sb(PS4)3](6-) Anion.","Inorganic chemistry","2014","53","7","3540","","10.1021/ic403044x","","","0.71073","MoKα","","0.0405","0.0333","","","0.0933","0.095","","","","","","1.344","","","","has coordinates","179481","2020-10-21","18:00:00","" "4338266","8.8776","0.0002","8.8776","0.0002","19.5912","0.0008","90","","90","","120","","1337.16","0.07","355","2","355","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H48 Mn6 N12 O36 -","- C24 H41.76 Mn6 N12.06 O36 -","- C24 H41.76 Mn6 N12.06 O36 -","1","0.0277778","","Mączka, Mirosław; Ciupa, Aneta; Gągor, Anna; Sieradzki, Adam; Pikul, Adam; Macalik, Bogusław; Drozd, Marek","Perovskite Metal Formate Framework of [NH2-CH(+)-NH2]Mn(HCOO)3]: Phase Transition, Magnetic, Dielectric, and Phonon Properties.","Inorganic chemistry","2014","53","10","5260","5268","10.1021/ic500479e","","","0.71073","MoKα","","0.023","0.0196","","","0.0602","0.0666","","","","","","0.801","","","","has coordinates","179485","2020-10-21","18:00:00","" "4338619","33.681","0.002","33.681","0.002","52.778","0.003","90","","90","","120","","51851","5","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C341 H387 Mn14 N150 O57 -","- C151 H87 Mn14 N57 O54 -","- C906 H522 Mn84 N342 O324 -","6","0.166667","","Anwar, Muhammad Usman; Lan, Yanhua; Beltran, Lianne M. C.; Clérac, Rodolphe; Pfirrmann, Sven; Anson, Christopher E.; Powell, Annie K.","In Situ Ligand Transformation in the Synthesis of Manganese Complexes: Mono-, Tri- and a Barrel-shaped Tetradeca-nuclear Mn^II^~14~ Aggregate","Inorganic Chemistry","2009","48","12","5177","5186","10.1021/ic9001048","","","0.71073","MoKα","","0.1098","0.0611","","","0.1486","0.1609","","","","","","0.963","","","","has coordinates,has disorder","210046","2020-10-21","18:00:00","" "4339535","9.254","0.003","9.254","0.003","27.698","0.012","90","","90","","120","","2054.2","1.3","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- As4 Eu6 S16 -","- As4 Eu6 S16 -","- As12 Eu18 S48 -","3","0.0833333","","Bera, Tarun K.; Iyer, Ratnasabapathy G.; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Eu3(AsS4)2 and AxEu(3-y)As(5-z)S10 (A = Li, Na): compounds with simple and complex thioarsenate building blocks.","Inorganic chemistry","2007","46","21","8466","8468","10.1021/ic701067r","","","0.71073","MoKα","","0.0272","0.0238","","","0.058","0.0598","","","","","","1.088","","","","has coordinates","179498","2020-10-21","18:00:00","" "4339822","20.8082","0.0018","20.8082","","71.402","0.007","90","","90","","120","","26774","4","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","04085","","","- C27 H19 F6 Ir N3 P S3 -","- C27 H19 F5.995 Ir N3 P0.999167 S3 -","- C972 H684 F215.82 Ir36 N108 P35.97 S108 -","36","1","","McGee, Kari A.; Mann, Kent R.","Selective low-temperature syntheses of facial and meridional tris-cyclometalated iridium(III) complexes.","Inorganic chemistry","2007","46","19","7800","7809","10.1021/ic700440c","","","0.71073","MoKα","","0.0791","0.0486","","","0.1102","0.1199","","","","","","1.06","","","","has coordinates,has disorder","179501","2020-10-21","18:00:00","" "4340000","17.176","0.0006","17.176","0.0004","101.643","0.011","90","","90","0.002","120","0.008","25969","4","100","2","100","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C147 H47 Au Cl P3 -","- C146.999 H47 Au Cl1.00002 P3 -","- C1763.99 H564 Au12 Cl12.0002 P36 -","12","0.333333","","Konarev, Dmitri V.; Khasanov, Salavat S.; Otsuka, Akihiro; Ishikawa, Manabu; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Formation of Hexagonal Fullerene Layers from Neutral and Negatively Charged Fullerenes in {(Ph3P)3Au(+)}2(C60(•-))2(C60)·C6H4Cl2 Containing Gold Cations with the C3v Symmetry.","Inorganic chemistry","2014","53","13","6850","6855","10.1021/ic500689n","","","0.71073","MoKα","","0.0644","0.0379","","","0.0902","0.1027","","","","","","1.035","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00","" "4340555","23.3442","0.0016","23.3442","0.0016","24.987","0.004","90","","90","","120","","11792","2","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C75 H86 Cl0 N18 Ni3 O19 -","- C75 H78 N18 Ni3 O19 -","- C450 H468 N108 Ni18 O114 -","6","0.166667","","Hurley, Nicholas J.; Hayward, John J.; Rawson, Jeremy M.; Murrie, Mark; Pilkington, Melanie","Exploring the Coordination Chemistry of 3,3'-Di(picolinamoyl)-2,2'-bipyridine: One Ligand, Multiple Nuclearities.","Inorganic chemistry","2014","53","16","8610","8623","10.1021/ic501224q","","","0.71073","MoKα","","0.1225","0.0868","","","0.2177","0.2841","","","","","","1.109","","","","has coordinates","179508","2020-10-21","18:00:00","" "4340557","23.843","0.003","23.843","0.003","20.481","0.007","90","","90","","120","","10083","4","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C66 H66 N18 Ni3 O18 -","- C66 H42 N18 Ni3 O18 -","- C396 H252 N108 Ni18 O108 -","6","0.166667","","Hurley, Nicholas J.; Hayward, John J.; Rawson, Jeremy M.; Murrie, Mark; Pilkington, Melanie","Exploring the Coordination Chemistry of 3,3'-Di(picolinamoyl)-2,2'-bipyridine: One Ligand, Multiple Nuclearities.","Inorganic chemistry","2014","53","16","8610","8623","10.1021/ic501224q","","","0.71073","MoKα","","0.0958","0.0605","","","0.1603","0.1971","","","","","","1.063","","","","has coordinates","179508","2020-10-21","18:00:00","" "4341026","40.1909","0.0007","40.1909","0.0007","25.0798","0.0005","90","","90","","120","","35084.1","1.1","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C28 H12 In1.11 N0 O8 -","- C28 H12 In1.11 O8 -","- C1008 H432 In39.96 O288 -","36","1","","Gong, Yun-Nan; Huang, Yong-Liang; Jiang, Long; Lu, Tong-Bu","A luminescent microporous metal-organic framework with highly selective CO₂ adsorption and sensing of nitro explosives.","Inorganic chemistry","2014","53","18","9457","9459","10.1021/ic501413r","","","1.54178","CuKα","","0.1175","0.0966","","","0.2786","0.2968","","","","","","1.066","","","","has coordinates,has disorder","179513","2020-10-21","18:00:00","" "4341467","14.895","0.0007","14.895","0.0007","30.693","0.002","90","","90","","120","","5897.3","0.5","110","","110","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C18 H44 Ba Cu4 I6 O10 -","- C18 H43.9998 Ba Cu4 I6 O10 -","- C108 H263.999 Ba6 Cu24 I36 O60 -","6","0.166667","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Novel barium-organic incorporated iodometalates: do they have template properties for constructing rare heterotrimetallic hybrids?","Inorganic chemistry","2014","53","21","11721","11731","10.1021/ic501963y","","","0.7107","MoKα","","0.0514","0.0382","","0.0833","0.0756","0.0833","","","","","","0.9881","","","","has coordinates,has disorder","179517","2020-10-21","18:00:00","" "4341760","28.2643","0.001","28.2643","0.001","36.1195","0.0014","90","","90","","120","","24989","1.6","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","Gold/Palladium Carbonyl Phosphine Cluster","","","- C102 H180 Au2 O30 P12 Pd42 -","- C102 H180 Au2 O30 P12 Pd42 -","- C612 H1080 Au12 O180 P72 Pd252 -","6","0.166667","","Mednikov, Evgueni G.; Dahl, Lawrence F.","Acid/Base-Controlled Au(I)/Au(0) Reductive Transformations of the Monogold [(μ14-Au)Pd22(CO)20(PEt3)8](+) Monocation into Three Different Neutral Digold Nanoclusters: Au2Pd21(CO)20(PEt3)10, Au2Pd28(CO)26(PEt3)10, and New Five-Layer Hexagonal Close-Packed (μ12-Au)2Pd42(CO)30(PEt3)12 with a Trigonal-Bipyramidal AuPd3Au Kernel.","Inorganic chemistry","2015","54","3","1145","1151","10.1021/ic502470m","","","0.71073","MoKα","","0.0779","0.0599","","","0.1572","0.1696","","","","","","1.025","","","","has coordinates,has disorder","179520","2020-10-21","18:00:00","" "4341873","14.157","0.003","14.157","0.003","104.37","0.03","90","","90","","120","","18115","8","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C94 H84 N2 Nd3 O31 P4 -","- C93.94 H73.86 N1.98 Nd3 O30.99 P4 -","- C563.64 H443.16 N11.88 Nd18 O185.94 P24 -","6","0.166667","","Waggoner, Nolan W.; Saccoccia, Beau; Ibarra, Ilich A.; Lynch, Vincent M.; Wood, Paul T.; Humphrey, Simon M.","Magnetism of Linear [Ln3](9+) Oxo-Bridged Clusters (Ln = Pr, Nd) Supported inside a [R3PR'](+) Phosphonium Coordination Material.","Inorganic chemistry","2014","","","141203090646001","","10.1021/ic5023642","","","0.71073","MoKα","","0.1054","0.0779","","","0.2229","0.2445","","","","","","1.055","","","","has coordinates,has disorder","179521","2020-10-21","18:00:00","" "4342254","13.31","0.002","13.31","0.002","41.548","0.007","90","","90","","120","","6374.4","1.7","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C32 H30 Cu6 I6 N6 Si2 -","- C32 H29.9994 Cu6 I6 N6 Si2 -","- C192 H179.996 Cu36 I36 N36 Si12 -","6","0.166667","","Deshmukh, Mahesh S.; Yadav, Ashok; Pant, Rakesh; Boomishankar, Ramamoorthy","Thermochromic and Mechanochromic Luminescence Umpolung in Isostructural Metal-Organic Frameworks Based on Cu6I6 Clusters.","Inorganic chemistry","2015","54","4","1337","1345","10.1021/ic502207f","","","0.71073","MoKα","","0.0214","0.0151","","","0.0311","0.033","","","","","","1.049","","","","has coordinates","179525","2020-10-21","18:00:00","" "4342255","13.292","0.011","13.292","0.011","41.79","0.04","90","","90","","120","","6394","10","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C32 H30 Cu6 I6 N6 O0 Si2 -","- C32 H29.9994 Cu6 I6 N6 Si2 -","- C192 H179.996 Cu36 I36 N36 Si12 -","6","0.166667","","Deshmukh, Mahesh S.; Yadav, Ashok; Pant, Rakesh; Boomishankar, Ramamoorthy","Thermochromic and Mechanochromic Luminescence Umpolung in Isostructural Metal-Organic Frameworks Based on Cu6I6 Clusters.","Inorganic chemistry","2015","54","4","1337","1345","10.1021/ic502207f","","","0.71073","MoKα","","0.0972","0.044","","","0.0855","0.1046","","","","","","0.999","","","","has coordinates","179525","2020-10-21","18:00:00","" "4342464","12.5997","0.0002","12.5997","0.0002","15.6063","0.0002","90","","90","","120","","2145.61","0.06","100","2","100","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ba4 Se6 U -","- Ba4 Se6 U -","- Ba24 Se36 U6 -","6","0.166667","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Pozzi, Eric A.; Tarasenko, Mariya S.; Lebègue, Sébastien; Malliakas, Christos D.; Van Duyne, Richard P.; Ibers, James A.","Positional Flexibility: Syntheses and Characterization of Six Uranium Chalcogenides Related to the 2H Hexagonal Perovskite Family.","Inorganic chemistry","2015","54","6","2851","2857","10.1021/ic5029806","","","0.71073","MoKα","","0.0168","0.0143","","","0.0301","0.0306","","","","","","1.245","","","","has coordinates","179527","2020-10-21","18:00:00","" "4342465","12.4842","0.001","12.4842","0.001","13.9258","0.0011","90","","90","","120","","1879.6","0.3","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Fe Se6 U -","- Ba3 Fe Se6 U -","- Ba18 Fe6 Se36 U6 -","6","0.166667","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Pozzi, Eric A.; Tarasenko, Mariya S.; Lebègue, Sébastien; Malliakas, Christos D.; Van Duyne, Richard P.; Ibers, James A.","Positional Flexibility: Syntheses and Characterization of Six Uranium Chalcogenides Related to the 2H Hexagonal Perovskite Family.","Inorganic chemistry","2015","54","6","2851","2857","10.1021/ic5029806","","","0.71073","MoKα","","0.0161","0.0144","","","0.0276","0.0281","","","","","","1.163","","","","has coordinates","179527","2020-10-21","18:00:00","" "4342466","12.4561","0.0002","12.4561","0.0002","14.1354","0.0003","90","","90","","120","","1899.34","0.06","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Mn Se6 U -","- Ba3 Mn Se6 U -","- Ba18 Mn6 Se36 U6 -","6","0.166667","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Pozzi, Eric A.; Tarasenko, Mariya S.; Lebègue, Sébastien; Malliakas, Christos D.; Van Duyne, Richard P.; Ibers, James A.","Positional Flexibility: Syntheses and Characterization of Six Uranium Chalcogenides Related to the 2H Hexagonal Perovskite Family.","Inorganic chemistry","2015","54","6","2851","2857","10.1021/ic5029806","","","0.71073","MoKα","","0.0177","0.0148","","","0.0289","0.0296","","","","","","1.165","","","","has coordinates","179527","2020-10-21","18:00:00","" "4342467","12.022","0.0005","12.022","0.0005","13.641","0.0006","90","","90","","120","","1707.38","0.13","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Mn S6 U -","- Ba3 Mn S6 U -","- Ba18 Mn6 S36 U6 -","6","0.166667","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Pozzi, Eric A.; Tarasenko, Mariya S.; Lebègue, Sébastien; Malliakas, Christos D.; Van Duyne, Richard P.; Ibers, James A.","Positional Flexibility: Syntheses and Characterization of Six Uranium Chalcogenides Related to the 2H Hexagonal Perovskite Family.","Inorganic chemistry","2015","54","6","2851","2857","10.1021/ic5029806","","","0.71073","MoKα","","0.0124","0.011","","","0.0228","0.023","","","","","","1.587","","","","has coordinates","179527","2020-10-21","18:00:00","" "4342468","12.0798","0.0002","12.0798","0.0002","15.0309","0.0003","90","","90","","120","","1899.48","0.06","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ba3.2 K0.8 S6 U -","- Ba3.1984 K0.8016 S6 U -","- Ba19.1904 K4.8096 S36 U6 -","6","0.166667","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Pozzi, Eric A.; Tarasenko, Mariya S.; Lebègue, Sébastien; Malliakas, Christos D.; Van Duyne, Richard P.; Ibers, James A.","Positional Flexibility: Syntheses and Characterization of Six Uranium Chalcogenides Related to the 2H Hexagonal Perovskite Family.","Inorganic chemistry","2015","54","6","2851","2857","10.1021/ic5029806","","","0.71073","MoKα","","0.0124","0.0111","","","0.0187","0.0188","","","","","","1.448","","","","has coordinates","176467","2020-10-21","18:00:00","" "4342469","12.0875","0.0003","12.0875","0.0003","15.1516","0.0005","90","","90","","120","","1917.18","0.09","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ba3.3 Rb0.7 S6 U -","- Ba3.293 Rb0.707 S6 U -","- Ba19.758 Rb4.242 S36 U6 -","6","0.166667","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Pozzi, Eric A.; Tarasenko, Mariya S.; Lebègue, Sébastien; Malliakas, Christos D.; Van Duyne, Richard P.; Ibers, James A.","Positional Flexibility: Syntheses and Characterization of Six Uranium Chalcogenides Related to the 2H Hexagonal Perovskite Family.","Inorganic chemistry","2015","54","6","2851","2857","10.1021/ic5029806","","","0.71073","MoKα","","0.0104","0.0094","","","0.0193","0.0194","","","","","","1.378","","","","has coordinates","179527","2020-10-21","18:00:00","" "4342764","16.5827","0.0006","16.5827","0.0006","52.106","0.002","90","","90","","120","","12408.8","0.8","295","2","295","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C15 H58 Mg N4 O24 P6 -","- C15 H58 Mg N4 O24 P6 -","- C180 H696 Mg12 N48 O288 P72 -","12","0.333333","","Senthil Raja, Duraisamy; Lin, Pin-Chun; Liu, Wei-Ren; Zhan, Jun-Xiang; Fu, Xin-Yi; Lin, Chia-Her","Multidimensional (0D to 3D) Alkaline-Earth Metal Diphosphonates: Synthesis, Structural Diversity, and Luminescence Properties.","Inorganic chemistry","2015","54","9","4268","4278","10.1021/ic5029993","","","0.71073","MoKα","","0.077","0.0566","","","0.1788","0.1937","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00","" "4343475","17.7579","0.0017","17.7579","0.0017","157.59","0.016","90","","90","","120","","43037","7","150","2","150","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C216 H336 F24 Fe2 N14 O42 P4 S30 -","- C156.006 H156.108 F24.0012 Fe2 N14 O12 P4.0002 -","- C936.036 H936.648 F144.007 Fe12 N84 O72 P24.0012 -","6","0.166667","","Glasson, Christopher R. K.; Meehan, George V.; Davies, Murray; Motti, Cherie A.; Clegg, Jack K.; Lindoy, Leonard F.","Post-Assembly Covalent Di- and Tetracapping of a Dinuclear [Fe2L3](4+) Triple Helicate and Two [Fe4L6](8+) Tetrahedra Using Sequential Reductive Aminations.","Inorganic chemistry","2015","54","14","6986","6992","10.1021/acs.inorgchem.5b00940","","","0.71073","MoKα","","0.1455","0.1276","","","0.3321","0.3567","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00","" "4343628","6.8407","0.0002","6.8407","0.0002","37.552","0.0017","90","","90","","120","","1521.83","0.09","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Mn O11 Rb2 U3 -","- Mn O11 Rb2 U3 -","- Mn6 O66 Rb12 U18 -","6","0.166667","","Read, Cory Michael; Morrison, Gregory; Yeon, Jeongho; Smith, Mark D.; Zur Loye, Hans-Conrad","A2MnU3O11 (A = K, Rb) and Li3.2Mn1.8U6O22: Three New Alkali-Metal Manganese Uranium(VI) Oxides Related to Natrotantite.","Inorganic chemistry","2015","54","14","6993","6999","10.1021/acs.inorgchem.5b01004","","","0.71073","MoKα","","0.0252","0.0227","","","0.0481","0.0488","","","","","","1.181","","","","has coordinates","176428","2020-10-21","18:00:00","" "4343629","6.828","0.0002","6.828","0.0002","36.8354","0.0017","90","","90","","120","","1487.25","0.09","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- K2 Mn O11 U3 -","- K2 Mn O11 U3 -","- K12 Mn6 O66 U18 -","6","0.166667","","Read, Cory Michael; Morrison, Gregory; Yeon, Jeongho; Smith, Mark D.; Zur Loye, Hans-Conrad","A2MnU3O11 (A = K, Rb) and Li3.2Mn1.8U6O22: Three New Alkali-Metal Manganese Uranium(VI) Oxides Related to Natrotantite.","Inorganic chemistry","2015","54","14","6993","6999","10.1021/acs.inorgchem.5b01004","","","0.71073","MoKα","","0.0195","0.0188","","","0.0444","0.0447","","","","","","1.171","","","","has coordinates","176428","2020-10-21","18:00:00","" "4343793","5.487","","5.487","","14.51","","90","","90","","120","","378.328","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- In2 O3 -","- In2 O3 -","- In12 O18 -","6","0.166667","","Prewitt, C.T.; Rogers, D.B.; Shannon, R.D.; Sleight, W.W.","The C rare earth oxide-corundum transition and crystal chemistry of oxides having the corundum structure","Inorganic Chemistry","1969","8","","1985","1993","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "4343801","4.4493","","4.4493","","11.8037","","90","","90","","120","","202.363","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al H3 -","- Al H3 -","- Al6 H18 -","6","0.166667","","Turley, J.W.; Rinn, H.W.","The crystal structure of aluminium hydride","Inorganic Chemistry","1969","8","","17","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "4343802","4.4309","","4.4309","","11.7744","","90","","90","","120","","200.195","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al D3 -","- Al D3 -","- Al6 D18 -","6","0.166667","","Turley, J.W.; Rinn, H.W.","The crystal structure of aluminium hydride","Inorganic Chemistry","1969","8","","17","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "4344061","8.411","0.005","8.411","0.005","21.83","0.013","90","","90","","120","","1337.5","1.4","299","2","299","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.15 Eu2 Ga2.86 -","- Au6.147 Eu2 Ga2.853 -","- Au36.882 Eu12 Ga17.118 -","6","0.166667","","Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena","From the Ternary Eu(Au/In)2 and EuAu4(Au/In)2 with Remarkable Au/In Distributions to a New Structure Type: The Gold-Rich Eu5Au16(Au/In)6 Structure.","Inorganic chemistry","2015","54","17","8187","8196","10.1021/acs.inorgchem.5b00257","","","0.71073","MoKα","","0.0529","0.0343","","","0.0757","0.0836","","","","","","0.975","","","","has coordinates,has disorder","160518","2020-10-21","18:00:00","" "4344102","19.5861","0.0009","19.5861","0.0009","76.34","0.004","90","","90","","120","","25362","2","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C93 H125 B Fe N7 O6 V -","- C92.94 H124.95 B Fe N7 O6 V -","- C1115.28 H1499.4 B12 Fe12 N84 O72 V12 -","12","0.333333","","Ding, Mei; Rouzières, Mathieu; Losovyj, Yaroslav; Pink, Maren; Clérac, Rodolphe; Smith, Jeremy M.","Partial Nitrogen Atom Transfer: A New Synthetic Tool to Design Single-Molecule Magnets.","Inorganic chemistry","2015","54","18","9075","9080","10.1021/acs.inorgchem.5b01455","","","0.41328","synchrotron","","0.1907","0.1087","","","0.2986","0.3681","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00","" "4345572","9.9109","0.0003","9.9109","0.0003","45.1306","0.0011","90","","90","","120","","3839.09","0.19","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Na16 O60 Te12 Th8 -","- Na16 O60 Te12 Th8 -","- Na48 O180 Te36 Th24 -","3","0.0833333","","Xiao, Bin; Kegler, Philip; Bosbach, Dirk; Alekseev, Evgeny V.","Thorium Chemistry in Oxo-Tellurium System under Extreme Conditions.","Inorganic chemistry","2017","56","5","2926","2935","10.1021/acs.inorgchem.6b03030","","","0.71073","MoKα","","0.0279","0.0248","","","0.0947","0.0968","","","","","","1.151","","","","has coordinates","194702","2020-10-21","18:00:00","" "4345750","12.5054","0.0006","12.5054","0.0006","71.307","0.005","90","","90","","120","","9657.4","0.9","223","2","223","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C36 H53 B2 Cu6 N27 S6 W2 -","- C36 H53 B2 Cu6 N27 S6 W2 -","- C216 H318 B12 Cu36 N162 S36 W12 -","6","0.166667","","Chen, Qiu-Fang; Zhao, Xin; Liu, Quan; Jia, Ji-Dong; Qiu, Xiao-Ting; Song, Ying-Lin; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping","Tungsten(VI)-Copper(I)-Sulfur Cluster-Supported Metal-Organic Frameworks Bridged by in Situ Click-Formed Tetrazolate Ligands.","Inorganic chemistry","2017","56","10","5669","5679","10.1021/acs.inorgchem.7b00261","","","0.71073","MoKα","","0.0441","0.0328","","","0.0878","0.1005","","","","","","1.12","","","","has coordinates","197396","2020-10-21","18:00:00","" "4345752","11.4912","0.0003","11.4912","0.0003","93.945","0.006","90","","90","","120","","10743.2","0.8","223","2","223","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C39 H59 B3 Cu6 F4 N24 S6 W2 -","- C39 H59 B2.3334 Cu6 F4.0006 N24 S6 W2 -","- C234 H354 B14.0004 Cu36 F24.0036 N144 S36 W12 -","6","0.166667","","Chen, Qiu-Fang; Zhao, Xin; Liu, Quan; Jia, Ji-Dong; Qiu, Xiao-Ting; Song, Ying-Lin; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping","Tungsten(VI)-Copper(I)-Sulfur Cluster-Supported Metal-Organic Frameworks Bridged by in Situ Click-Formed Tetrazolate Ligands.","Inorganic chemistry","2017","56","10","5669","5679","10.1021/acs.inorgchem.7b00261","","","0.71073","MoKα","","0.0456","0.0304","","","0.0744","0.0801","","","","","","1.003","","","","has coordinates,has disorder","197396","2020-10-21","18:00:00","" "4345753","11.5194","0.001","11.5194","0.001","94.135","0.012","90","","90","","120","","10817.9","1.9","223","2","223","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C42 H65 B3 Cu6 F4 N24 S6 W2 -","- C42 H65 B3.0002 Cu6 F4.0008 N24 S6 W2 -","- C252 H390 B18.0012 Cu36 F24.0048 N144 S36 W12 -","6","0.166667","","Chen, Qiu-Fang; Zhao, Xin; Liu, Quan; Jia, Ji-Dong; Qiu, Xiao-Ting; Song, Ying-Lin; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping","Tungsten(VI)-Copper(I)-Sulfur Cluster-Supported Metal-Organic Frameworks Bridged by in Situ Click-Formed Tetrazolate Ligands.","Inorganic chemistry","2017","56","10","5669","5679","10.1021/acs.inorgchem.7b00261","","","0.71073","MoKα","","0.0498","0.0427","","","0.1187","0.1235","","","","","","1.304","","","","has coordinates,has disorder","197396","2020-10-21","18:00:00","" "4345754","11.5288","0.001","11.5288","0.001","93.891","0.009","90","","90","","120","","10807.4","1.7","223","2","223","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C15 H23.67 B Cu2 F1.33 N8 S2 W0.67 -","- C15 H23.6667 B1.00007 Cu2 F1.3336 N8 S2 W0.666667 -","- C270 H426 B18.0012 Cu36 F24.0048 N144 S36 W12 -","18","0.5","","Chen, Qiu-Fang; Zhao, Xin; Liu, Quan; Jia, Ji-Dong; Qiu, Xiao-Ting; Song, Ying-Lin; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping","Tungsten(VI)-Copper(I)-Sulfur Cluster-Supported Metal-Organic Frameworks Bridged by in Situ Click-Formed Tetrazolate Ligands.","Inorganic chemistry","2017","56","10","5669","5679","10.1021/acs.inorgchem.7b00261","","","0.71073","MoKα","","0.0564","0.0429","","","0.112","0.1222","","","","","","1.179","","","","has coordinates,has disorder","197396","2020-10-21","18:00:00","" "4345755","11.6295","0.0006","11.6295","0.0006","93.185","0.008","90","","90","","120","","10914.4","1.2","223","2","223","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C16 H14 B Cu2 F1.33 N8 S2 W0.67 -","- C16 H14 B1.00007 Cu2 F1.3336 N8 S2 W0.666667 -","- C288 H252 B18.0012 Cu36 F24.0048 N144 S36 W12 -","18","0.5","","Chen, Qiu-Fang; Zhao, Xin; Liu, Quan; Jia, Ji-Dong; Qiu, Xiao-Ting; Song, Ying-Lin; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping","Tungsten(VI)-Copper(I)-Sulfur Cluster-Supported Metal-Organic Frameworks Bridged by in Situ Click-Formed Tetrazolate Ligands.","Inorganic chemistry","2017","56","10","5669","5679","10.1021/acs.inorgchem.7b00261","","","0.71073","MoKα","","0.0482","0.0423","","","0.1059","0.1091","","","","","","1.162","","","","has coordinates,has disorder","197396","2020-10-21","18:00:00","" "4346578","12.6663","0.0011","12.6663","0.0011","27.782","0.003","90","","90","","120","","3860.1","0.6","173","2","173","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Cl16 Si6 -","- C Cl16 Si6 -","- C6 Cl96 Si36 -","6","0.166667","","Tillmann, Jan; Moxter, Maximilian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Lewis acidity of Si6Cl12 and its role as convenient SiCl2 source.","Inorganic chemistry","2015","54","19","9611","9618","10.1021/acs.inorgchem.5b01703","","","0.71073","MoKα","","0.04","0.0375","","","0.0912","0.0924","","","","","","1.206","","","","has coordinates","231854","2020-10-21","18:00:00","" "4347372","30.594","0.002","30.594","0.002","15.9646","0.0015","90","","90","","120","","12940.8","1.7","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C24 H16 N10 Ni -","- C24 H16 N10 Ni -","- C432 H288 N180 Ni18 -","18","0.5","","Gao, Xiaonan; Fu, Ai-Yun; Wang, Yao-Yu","Shape-Asymmetry Supramolecular Isomerism in Asymmetrical Ligand PCPs and the Expression Method of Three-Level Isomerism.","Inorganic chemistry","2016","55","9","4330","4334","10.1021/acs.inorgchem.6b00081","","","0.71073","MoKα","","0.2368","0.0703","","","0.0796","0.0994","","","","","","1.019","","","","has coordinates","232293","2020-10-21","18:00:00","" "4347792","18.3091","0.001","18.3091","0.001","15.383","0.002","90","","90","","120","","4465.9","0.7","100","2","100","2","","","","","","","toluene, diethylether","4","R -3 c :H","-R 3 2""c","167","","","","- C36 H36 N6 Re -","- C36 H36 N6 Re -","- C216 H216 N36 Re6 -","6","0.166667","","Wang, Mei; Weyhermüller, Thomas; Bill, Eckhard; Ye, Shengfa; Wieghardt, Karl","Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2″-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study.","Inorganic chemistry","2016","55","10","5019","5036","10.1021/acs.inorgchem.6b00609","","","0.71073","MoKα","","0.0405","0.0287","","","0.0691","0.0812","","","","","","1.09","","","","has coordinates","232503","2020-10-21","18:00:00","" "4347898","4.4426","0.0006","4.4426","0.0006","24.956","0.005","90","","90","","120","","426.56","0.12","153.15","","153.15","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- B3 Be6 F3 O9 -","- B3 Be6 F3 O9 -","- B6 Be12 F6 O18 -","2","0.0555556","","Guo, Shu; Liu, Lijuan; Xia, Mingjun; Kang, Lei; Huang, Qian; Li, Chao; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian","Be2BO3F: A Phase of Beryllium Fluoride Borate Derived from KBe2BO3F2 with Short UV Absorption Edge.","Inorganic chemistry","2016","55","13","6586","6591","10.1021/acs.inorgchem.6b00755","","","0.71073","MoKα","","0.0223","0.0217","","","0.0585","0.0589","","","","","","1.176","","","","has coordinates","232577","2020-10-21","18:00:00","" "4348072","34.705","0.0009","34.705","0.0009","37.9023","0.0012","90","","90","","120","","39534.9","1.9","298","2","298","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C102 H54 N12 O16 Zn7 -","- C102 H54 N12 O16 Zn7 -","- C1224 H648 N144 O192 Zn84 -","12","0.333333","","Gao, Wen-Yang; Tsai, Chen-Yen; Wojtas, Lukasz; Thiounn, Timmy; Lin, Chu-Chieh; Ma, Shengqian","Interpenetrating Metal-Metalloporphyrin Framework for Selective CO2 Uptake and Chemical Transformation of CO2.","Inorganic chemistry","2016","55","15","7291","7294","10.1021/acs.inorgchem.6b00937","","","1.54178","CuKα","","0.1468","0.0998","","","0.2231","0.2403","","","","","","1.015","","","","has coordinates","232723","2020-10-21","18:00:00","" "4348116","13.102","0.002","13.102","0.002","49.573","0.016","90","","90","","120","","7370","3","173.15","","173.15","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C33 I3 O11 Ti3 -","- C33.0002 I3 O11 Ti3 -","- C198.001 I18 O66 Ti18 -","6","0.166667","","Hou, Jie; Hu, Junyi; Sun, Qing; Zhang, Guanyun; Tung, Chen-Ho; Wang, Yifeng","A Post-Functionalizable Iso-Polyoxotitanate Cage Cluster.","Inorganic chemistry","2016","55","14","7075","7078","10.1021/acs.inorgchem.6b00982","","","0.71073","MoKα","","0.1395","0.1035","","","0.3112","0.3512","","","","","","1.078","","","","has coordinates","232762","2020-10-21","18:00:00","" "4348394","18.942","0.002","18.942","0.002","38.976","0.004","90","","90","","120","","12111","2","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C28 H18 Cu N4 O6 -","- C28 H16 Cu N4 O6 -","- C504 H288 Cu18 N72 O108 -","18","0.5","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.0978","0.0801","","","0.2141","0.2269","","","","","","1.053","","","","has coordinates,has disorder","232897","2020-10-21","18:00:00","" "4348490","18.9582","0.0005","18.9582","0.0005","43.2908","0.0014","90","","90","","120","","13474.7","0.7","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","hexakis(mu-adeninato)hexa(mu3-hidroxido)hexa(mu-aqua)heptacopper(II) sulfate - triethylammonium sulphate (1/1) n-hydrate","","- C30 H28 Cu7 N30 O24 S2 -","- C30 H42 Cu7 N30 O23.94 S1.98 -","- C180 H252 Cu42 N180 O143.64 S11.88 -","6","0.166667","","Pérez-Aguirre, Rubén; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Luque, Antonio; Pérez-Yáñez, Sonia; Rodríguez Fernández, Jesús; Román, Pascual","3D Magnetically Ordered Open Supramolecular Architectures Based on Ferrimagnetic Cu/Adenine/Hydroxide Heptameric Wheels.","Inorganic chemistry","2016","55","15","7755","7763","10.1021/acs.inorgchem.6b01231","","","0.71073","MoKα","","0.1142","0.0969","","","0.3083","0.3237","","","","","","1.1577","","","","has coordinates,has disorder","233001","2020-10-21","18:00:00","" "4348984","24.4314","0.0006","24.4314","0.0006","27.94","0.0009","90","","90","","120","","14442.9","0.7","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C16 H29.25 Co3 N4 O17 -","- C16 H29.246 Co3 N4 O17 -","- C288 H526.428 Co54 N72 O306 -","18","0.5","","Yao, Ru-Xin; Qiao, Xiao-Hui; Cui, Xin; Jia, Xiao-Xia; Zhang, Xian-Ming","Hexagonal Co6 and zigzag Co4 cluster based magnetic MOFs with a pcu net for selective catalysis","Inorganic Chemistry Frontiers","2016","3","1","78","","10.1039/C5QI00159E","","","0.71073","MoKα","","0.0398","0.0319","","","0.0912","0.0948","","","","","","1.046","","","","has coordinates,has disorder","233527","2020-10-21","18:00:00","" "4349469","13.8259","0.001","13.8259","0.001","68.225","0.01","90","","90","","120","","11294","2","150","2","150","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C79 H74 Cu3 F12 N12 O5 P2 -","- C79 H72 Cu3 F12 N12 O3 P2 -","- C474 H432 Cu18 F72 N72 O18 P12 -","6","0.166667","","Porwol, Luzian; Henson, Alon; Kitson, Philip J.; Long, De-Liang; Cronin, Leroy","On the fly multi-modal observation of ligand synthesis and complexation of Cu complexes in flow with ‘benchtop’ NMR and mass spectrometry","Inorganic Chemistry Frontiers","2016","3","7","919","","10.1039/C6QI00079G","","","0.71073","MoKα","","0.091","0.044","","","0.11","0.141","","","","","","1.056","","","","has coordinates,has disorder","234800","2020-10-21","18:00:00","" "4349878","27.3963","0.0013","27.3963","0.0013","75.861","0.003","90","","90","","120","","49310","4","150.01","0.1","150.01","0.1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C20.5 H11.83 F In1.5 O7.67 -","- C20.5 H11.8334 F In1.5 O7.6667 -","- C738 H426.002 F36 In54 O276.001 -","36","1","","Fan, Weidong; Liu, Xiuping; Wang, Xia; Li, Yue; Xing, Chengyong; Wang, Yutong; Guo, Wenyue; Zhang, Liangliang; Sun, Daofeng","A fluorine-functionalized microporous In-MOF with high physicochemical stability for light hydrocarbon storage and separation","Inorganic Chemistry Frontiers","2018","5","10","2445","","10.1039/C8QI00652K","","x-ray","1.54184","CuKα","","0.108","0.0843","","","0.2674","0.2989","","","","","","1.092","","","","has coordinates","236914","2020-10-21","18:00:00","" "4349955","17.6727","0.0005","17.6727","0.0005","75.9637","0.0019","90","","90","","120","","20546.7","1","150","2","150","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C94 H112 Br2 O19 P6 Re6 Se8 -","- C93.9996 H93.999 Br2 O20 P6 Re6 Se8 -","- C563.998 H563.994 Br12 O120 P36 Re36 Se48 -","6","0.166667","","Ivanov, Anton A.; Konovalov, Dmitry I.; Pozmogova, Tatiana N.; Solovieva, Anastasiya O.; Melnikov, Anatoly R.; Brylev, Konstantin A.; Kuratieva, Natalia V.; Yanshole, Vadim V.; Kirakci, Kaplan; Lang, Kamil; Cheltygmasheva, Svetlana N.; Kitamura, Noboru; Shestopalova, Lidiya V.; Mironov, Yuri V.; Shestopalov, Michael A.","Water-soluble Re6-clusters with aromatic phosphine ligands ‒ from synthesis to potential biomedical applications","Inorganic Chemistry Frontiers","2019","6","4","882","","10.1039/C8QI01216D","","x-ray","0.71073","MoKα","","0.0433","0.0355","","","0.0984","0.1039","","","","","","1.114","","","","has coordinates,has disorder","236980","2020-10-21","18:00:00","" "4349986","27.3814","0.0009","27.3814","0.0009","71.344","0.005","90","","90","","120","","46323","4","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C42 H22 Al3 N0 O16 -","- C42 H22 Al3 O16 -","- C756 H396 Al54 O288 -","18","0.5","","Zhang, Jian-Wei; Ji, Wen-Juan; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhang, Xian-Ming; Qu, Peng; Zhai, Quan-Guo","A superstable 3p-block metal‒organic framework platform towards prominent CO2 and C1/C2-hydrocarbon uptake and separation performance and strong Lewis acid catalysis for CO2 fixation","Inorganic Chemistry Frontiers","2019","6","3","813","","10.1039/C8QI01396A","","","0.71073","MoKα","","0.1165","0.0938","","","0.2277","0.2444","","","","","","1.131","","","","has coordinates","237003","2020-10-21","18:00:00","" "4349987","27.3458","0.0004","27.3458","0.0004","72.965","0.002","90","","90","","120","","47252.7","1.6","153","2","153","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C42 H22 Ga3 N0 O16 -","- C42 H22 Ga3 O16 -","- C756 H396 Ga54 O288 -","18","0.5","","Zhang, Jian-Wei; Ji, Wen-Juan; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhang, Xian-Ming; Qu, Peng; Zhai, Quan-Guo","A superstable 3p-block metal‒organic framework platform towards prominent CO2 and C1/C2-hydrocarbon uptake and separation performance and strong Lewis acid catalysis for CO2 fixation","Inorganic Chemistry Frontiers","2019","6","3","813","","10.1039/C8QI01396A","","","0.71073","MoKα","","0.0577","0.0488","","","0.1386","0.1415","","","","","","1.069","","","","has coordinates","237003","2020-10-21","18:00:00","" "4349988","28.188","0.0006","28.188","0.0006","74.414","0.002","90","","90","","120","","51205","2","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C42 H22 In3 O16 -","- C42 H22 In3 O16 -","- C756 H396 In54 O288 -","18","0.5","","Zhang, Jian-Wei; Ji, Wen-Juan; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhang, Xian-Ming; Qu, Peng; Zhai, Quan-Guo","A superstable 3p-block metal‒organic framework platform towards prominent CO2 and C1/C2-hydrocarbon uptake and separation performance and strong Lewis acid catalysis for CO2 fixation","Inorganic Chemistry Frontiers","2019","6","3","813","","10.1039/C8QI01396A","","","0.71073","MoKα","","0.1116","0.0759","","","0.2315","0.2736","","","","","","1.134","","","","has coordinates","237003","2020-10-21","18:00:00","" "4349990","21.5586","0.0003","21.5586","0.0003","62.2218","0.0015","90","","90","","120","","25044.6","0.8","120","0.1","120","0.1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C26 H17 N9 O8 Zn2 -","- C26 H17 N9 O8 Zn2 -","- C468 H306 N162 O144 Zn36 -","18","0.5","","Li, Meiling; Ren, Guojian; Wang, Fuxiang; Li, Zhimeng; Yang, Weiting; Gu, Dongxu; Wang, Yinghui; Zhu, Guangshan; Pan, Qinhe","Two metal‒organic zeolites for highly sensitive and selective sensing of Tb3+","Inorganic Chemistry Frontiers","2019","6","5","1129","","10.1039/C8QI01406J","","","1.54178","CuKα","","0.1086","0.0961","","","0.3077","0.3234","","","","","","1.102","","","","has coordinates","237007","2020-10-21","18:00:00","" "4350494","13.4412","0.0005","13.4412","0.0005","64.368","0.003","90","","90","","120","","10071.1","0.7","293.1","","","","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C27 H45 B Cl Fe N6 O1.5 S3 -","- C27 H34 B Cl Fe N6 O1.5 S3 -","- C324 H408 B12 Cl12 Fe12 N72 O18 S36 -","12","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0646","","","","0.2425","","","","","","2.118","","","","has coordinates","239910","2020-10-21","18:00:00","" "4350497","13.469","0.003","13.469","0.003","64.022","0.013","90","","90","","120","","10058","4","293.1","","","","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C27 H46 B Cl Co N6 O1.5 S3 -","- C27 H46 B Cl Co N6 O1.5 S3 -","- C324 H552 B12 Cl12 Co12 N72 O18 S36 -","12","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0627","","","","0.0971","","","","","","0.861","","","","has coordinates","239910","2020-10-21","18:00:00","" "4350505","13.486","0.003","13.486","0.003","66.791","0.018","90","","90","","120","","10520","4","173.1","","","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C21 H34 B Fe I N6 S3 -","- C21 H34 B Fe I N6 S3 -","- C252 H408 B12 Fe12 I12 N72 S36 -","12","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.081","","","","0.2939","","","","","","2.381","","","","has coordinates","239910","2020-10-21","18:00:00","" "4500749","20.5131","0.0002","20.5131","0.0002","33.4645","0.0005","90","","90","","120","","12194.9","0.2","150","2","150","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C24 H41 Ag4 N12 O60 Sb W18 -","- C24 H36 Ag3.96 N12 O60 Sb W18 -","- C144 H216 Ag23.76 N72 O360 Sb6 W108 -","6","0.166667","","McGlone, Thomas; Streb, Carsten; Busquets-Fité, Martí; Yan, Jun; Gabb, David; Long, De-Liang; Cronin, Leroy","Silver Linked Polyoxometalate Open Frameworks (Ag-POMOFs) for the Directed Fabrication of Silver Nanomaterials","Crystal Growth & Design","2011","11","6","2471","","10.1021/cg2002496","","","1.54178","CuKα","","0.0529","0.0452","","","0.1321","0.1405","","","","","","1.125","","","","has coordinates","179538","2020-10-21","18:00:00","" "4500750","20.5547","0.0009","20.5547","0.0009","33.1479","0.0019","90","","90","","120","","12128.6","1","150","2","150","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C24 H36 Ag4 Bi N12 O60 W18 -","- C22.2 H30.6 Ag3.93 Bi N10.2 O60 W18 -","- C133.2 H183.6 Ag23.58 Bi6 N61.2 O360 W108 -","6","0.166667","","McGlone, Thomas; Streb, Carsten; Busquets-Fité, Martí; Yan, Jun; Gabb, David; Long, De-Liang; Cronin, Leroy","Silver Linked Polyoxometalate Open Frameworks (Ag-POMOFs) for the Directed Fabrication of Silver Nanomaterials","Crystal Growth & Design","2011","11","6","2471","","10.1021/cg2002496","","","0.71073","MoKα","","0.0753","0.0543","","","0.1327","0.1571","","","","","","1.122","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00","" "4500773","22.6523","0.0006","22.6523","0.0006","65.9502","0.0016","90","","90","","120","","29307","1.3","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Zn4O(Me4BPDC)3","","","- C54 H48 O13 Zn4 -","- C54 H48 O13 Zn4 -","- C648 H576 O156 Zn48 -","12","0.333333","","Park, Tae-Hong; Koh, Kyoungmoo; Wong-Foy, Antek G.; Matzger, Adam J.","Nonlinear Properties in Coordination Copolymers Derived from Randomly Mixed Ligands","Crystal Growth & Design","2011","11","6","2059","","10.1021/cg200271e","","","1.54187","CuKα","","0.1042","0.0824","","","0.2275","0.2391","","","","","","1.381","","","","has coordinates","179538","2020-10-21","18:00:00","" "4500875","9.43","0.0008","9.43","0.0008","24.337","0.004","90","","90","","120","","1874.2","0.4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","K0.6Mg0.6Mo3O12Sc1.4","","","- K0.6 Mg0.6 Mo3 O12 Sc1.4 -","- K0.6 Mg0.6 Mo3 O12 Sc1.4 -","- K3.6 Mg3.6 Mo18 O72 Sc8.4 -","6","0.166667","","Wang, Guojian; Huang, Yisheng; Zhang, Lizhen; Guo, Shengping; Xu, Gang; Lin, Zhoubin; Wang, Guofu","Growth, Structure, and Optical Properties of the Cr3+:K0.6(Mg0.3Sc0.7)2(MoO4)3Crystal","Crystal Growth & Design","2011","11","9","3895","","10.1021/cg200438p","","","0.71073","MoKα","","0.0156","0.015","","","0.0604","0.061","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00","" "4501027","23.985","0.0008","23.985","0.0008","26.9081","0.0018","90","","90","","120","","13405.8","1.1","150","2","150","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C19 H11 N O4 -","- C19 H11 N O4 -","- C684 H396 N36 O144 -","36","1","","Reger, Daniel L.; Debreczeni, Agota; Horger, Jacob J.; Smith, Mark D.","Structures of Bifunctional Molecules Containing Two Very Different Supramolecular Synthons: Carboxylic Acid and Strong π···π Stacking 1,8-Naphthalimide Ring","Crystal Growth & Design","2011","11","9","4068","","10.1021/cg200636k","","","0.71073","MoKα","","0.0679","0.0351","","","0.0628","0.0712","","","","","","0.881","","","","has coordinates","179541","2020-10-21","18:00:00","" "4501259","18.621","0.003","18.621","0.003","69.793","0.014","90","","90","","120","","20958","6","99","2","99","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H10 Cu N2 O4 -","- C14 H10 Cu N2 O4 -","- C504 H360 Cu36 N72 O144 -","36","1","","Liu, Xinfang; Oh, Minhak; Lah, Myoung Soo","Adsorbate Selectivity of Isoreticular Microporous Metal‒Organic Frameworks with Similar Static Pore Dimensions","Crystal Growth & Design","2011","11","11","5064","","10.1021/cg200983y","","","0.8","synchrotron","","0.0785","0.0734","","","0.2157","0.2209","","","","","","1.072","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00","" "4501655","12.7276","0.0009","12.7276","0.0009","43.053","0.006","90","","90","","120","","6039.9","1","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C30 H33 Co2 N18 O13.5 -","- C30 H18 Co2 N18 O13.51 -","- C180 H108 Co12 N108 O81.06 -","6","0.166667","","Li, Cheng-Peng; Zhao, Xiao-Hu; Chen, Xu-Dong; Yu, Qian; Du, Miao","Metal-Involved Solvothermal Interconversions of Pyrazinyl Substituted Azole Derivatives: Controllability and Mechanism","Crystal Growth & Design","2010","10","12","5034","","10.1021/cg100200b","","","0.71073","MoKα","","0.0669","0.0442","","","0.1315","0.1396","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4502441","4.987429","0.000028","4.987429","","17.05058","0.00014","90","","90","","120","","367.302","0.004","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Zolotoyabko, E.; Caspi, E. N.; Fieramosca, J. S.; Von Dreele, R. B.; Marin, F.; Mor, G.; Addadi, L.; Weiner, S.; Politi, Y.","Differences between Bond Lengths in Biogenic and Geological Calcite","Crystal Growth & Design","2010","10","3","1207","","10.1021/cg901195t","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179555","2020-10-21","18:00:00","" "4502443","4.97577","0.00005","4.97577","","16.99207","0.00024","90","","90","","120","","364.332","0.006","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Zolotoyabko, E.; Caspi, E. N.; Fieramosca, J. S.; Von Dreele, R. B.; Marin, F.; Mor, G.; Addadi, L.; Weiner, S.; Politi, Y.","Differences between Bond Lengths in Biogenic and Geological Calcite","Crystal Growth & Design","2010","10","3","1207","","10.1021/cg901195t","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179555","2020-10-21","18:00:00","" "4502872","20.2571","0.0003","20.2571","0.0003","25.549","0.0006","90","","90","","120","","9079.4","0.3","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C13 H17 Cl2 F3 I3 N -","- C13 H17 Cl2 F3 I3 N -","- C234 H306 Cl36 F54 I54 N18 -","18","0.5","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Exploitation of the Menshutkin Reaction for the Controlled Assembly of Halogen Bonded Architectures Incorporating 1,2-Diiodotetrafluorobenzene and 1,3,5-Triiodotrifluorobenzene","Crystal Growth & Design","2012","12","2","714","","10.1021/cg201017r","","","0.71073","MoKα","","0.0554","0.0305","","","0.0676","0.0713","","","","","","1.054","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00","" "4503634","8.149","0.003","8.149","0.003","22.598","0.008","90","","90","","120","","1299.6","0.8","293","2","293","2","","","","","","","synthesis as described","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Mg N O6 -","- C5 H3 Mg N0.99 O6 -","- C30 H18 Mg6 N5.94 O36 -","6","0.166667","","Rossin, Andrea; Ienco, Andrea; Costantino, Ferdinando; Montini, Tiziano; Di Credico, Barbara; Caporali, Maria; Gonsalvi, Luca; Fornasiero, Paolo; Peruzzini, Maurizio","Phase Transitions and CO2Adsorption Properties of Polymeric Magnesium Formate","Crystal Growth & Design","2008","8","9","3302","","10.1021/cg800181q","","x-ray","0.71069","MoKα","","0.0471","0.043","","","0.116","0.1203","","","","","","1.445","","","","has coordinates","179571","2020-10-21","18:00:00","" "4503681","10.9709","0.0011","10.9709","0.0011","35.314","0.006","90","","90","","120","","3681","0.8","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C12 H12 Cl2 Cu N18 O8 -","- C12 H12 Cl2 Cu N18 O8.02 -","- C72 H72 Cl12 Cu6 N108 O48.12 -","6","0.166667","","Huang, Yong-Quan; Zhao, Xiao-Qing; Shi, Wei; Liu, Wen-Yong; Chen, Zhong-Lei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Anions-Directed Metal-Mediated Assemblies of Coordination Polymers Based on the Bis(4,4′-bis-1,2,4-triazole) Ligand","Crystal Growth & Design","2008","8","10","3652","","10.1021/cg8002564","","","0.71073","MoKα","","0.0606","0.0571","","","0.1614","0.1657","","","","","","1.086","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00","" "4503682","11.1514","0.0009","11.1514","0.0009","102.578","0.011","90","","90","","120","","11047","1.7","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C12 H12 Cd Cl2 N18 O8 -","- C12 H12 Cd Cl2 N18 O8 -","- C216 H216 Cd18 Cl36 N324 O144 -","18","0.5","","Huang, Yong-Quan; Zhao, Xiao-Qing; Shi, Wei; Liu, Wen-Yong; Chen, Zhong-Lei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Anions-Directed Metal-Mediated Assemblies of Coordination Polymers Based on the Bis(4,4′-bis-1,2,4-triazole) Ligand","Crystal Growth & Design","2008","8","10","3652","","10.1021/cg8002564","","","0.71073","MoKα","","0.0569","0.0394","","","0.1","0.1098","","","","","","1.017","","","","has coordinates","179571","2020-10-21","18:00:00","" "4504209","17.1609","0.0012","17.1609","0.0012","12.6734","0.0019","90","","90","","120","","3232.2","0.6","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C21 H12 Co3 N3 O14 -","- C21 H9 Co3 N3 O14 -","- C126 H54 Co18 N18 O84 -","6","0.166667","","Zhang, Xian-Ming; Zheng, Yan-Zhen; Li, Cui-Rui; Zhang, Wei-Xiong; Chen, Xiao-Ming","Unprecedented (3,9)-Connected (42.6)3(46.621.89) Net Constructed by Trinuclear Mixed-Valence Cobalt Clusters","Crystal Growth & Design","2007","7","5","980","","10.1021/cg070038o","","","0.71073","MoKα","","0.0604","0.0489","","","0.1077","0.1224","","","","","","1.108","","","","has coordinates","179577","2020-10-21","18:00:00","" "4504210","17.122","0.003","17.122","0.003","12.53","0.004","90","","90","","120","","3181.2","1.3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C21 H12 Co3 N3 O14 -","- C21 H9 Co3 N3 O14 -","- C126 H54 Co18 N18 O84 -","6","0.166667","","Zhang, Xian-Ming; Zheng, Yan-Zhen; Li, Cui-Rui; Zhang, Wei-Xiong; Chen, Xiao-Ming","Unprecedented (3,9)-Connected (42.6)3(46.621.89) Net Constructed by Trinuclear Mixed-Valence Cobalt Clusters","Crystal Growth & Design","2007","7","5","980","","10.1021/cg070038o","","","0.71073","MoKα","","0.0665","0.0497","","","0.1073","0.1149","","","","","","1.056","","","","has coordinates","179577","2020-10-21","18:00:00","" "4504311","14.831","0.003","14.831","0.003","6.7648","0.0019","90","","90","","120","","1288.6","0.5","125","2","125","1","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C15 H10 N5 O2 -","- C16.32 H20.4 N8.16 O4.08 -","- C48.96 H61.2 N24.48 O12.24 -","3","0.0833333","","Enright, Gary D.; Terskikh, Victor V.; Brouwer, Darren H.; Ripmeester, John A.","The Structure of Two Anhydrous Polymorphs of Caffeine from Single-Crystal Diffraction and Ultrahigh-Field Solid-State13C NMR Spectroscopy","Crystal Growth & Design","2007","7","8","1406","","10.1021/cg070291o","","","0.71073","MoKα","","0.078","0.0569","","","0.1449","0.1795","","","","","","1.194","","","","has coordinates,has disorder","179578","2020-10-21","18:00:00","" "4504613","14.787","0.004","14.787","0.004","31.231","0.011","90","","90","","120","","5914","3","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C4 H5 Ni O4.33 -","- C4 H5 Ni O4.33333 -","- C144 H180 Ni36 O156 -","36","1","","Chen, Jinxi; Ohba, Masaaki; Zhao, Dongyuan; Kaneko, Wakako; Kitagawa, Susumu","Polynuclear Core-Based Nickel 1,4-Cyclohexanedicarboxylate Coordination Polymers as Temperature-Dependent Hydrothermal Reaction Products","Crystal Growth & Design","2006","6","3","664","","10.1021/cg050363g","","","0.71073","MoKα","","0.0493","0.0436","","","0.1037","0.1063","","","","","","1.176","","","","has coordinates","179581","2020-10-21","18:00:00","" "4505004","14.5986","0.0011","14.5986","0.0011","19.062","0.002","90","","90","","120","","3518.2","0.5","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C18 H15 Bi Cl6 N6 -","- C18 H15 Bi Cl6 N6 -","- C108 H90 Bi6 Cl36 N36 -","6","0.166667","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0223","0.0163","","","0.0381","0.0397","","","","","","1.048","","","","has coordinates","179585","2020-10-21","18:00:00","" "4505007","14.6781","0.0006","14.6781","0.0006","19.0874","0.001","90","","90","","120","","3561.4","0.3","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C18 H15 Cl6 N6 Sb -","- C18 H15 Cl6 N6 Sb -","- C108 H90 Cl36 N36 Sb6 -","6","0.166667","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0203","0.017","","","0.0453","0.0466","","","","","","1.259","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00","" "4505008","14.7004","0.0012","14.7004","0.0012","19.228","0.002","90","","90","","120","","3598.5","0.6","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C18 H15 Bi Cl6 N6 -","- C18 H15 Bi Cl6 N6 -","- C108 H90 Bi6 Cl36 N36 -","6","0.166667","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0246","0.0183","","","0.0429","0.0451","","","","","","1.069","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00","" "4505009","14.6022","0.0009","14.6022","0.0009","18.5768","0.0016","90","","90","","120","","3430.3","0.4","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C18 H15 Cl6 Fe N6 -","- C18 H15 Cl6 Fe N6 -","- C108 H90 Cl36 Fe6 N36 -","6","0.166667","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0386","0.037","","","0.1388","0.1391","","","","","","2.667","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00","" "4505011","15.1595","0.0002","15.1595","0.0002","19.2129","0.0003","90","","90","","120","","3823.78","0.09","153","2","123","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C36 H30 Bi2 Cl12 N12 O6 -","- C36 H30 Bi2 Cl12 N12 O6 -","- C108 H90 Bi6 Cl36 N36 O18 -","3","0.0833333","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","1.5418","CuKα","","0.0349","0.0261","","","0.0608","0.0637","","","","","","0.944","","","","has coordinates","179585","2020-10-21","18:00:00","" "4505295","10.301","0.003","10.301","0.003","65.44","0.03","90","","90","","120","","6014","4","273","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","Zn(besb)3.(ClO4)2","","","- C24 H54 Cl2 O14 S6 Zn -","- C24 H54 Cl2 O14 S6 Zn -","- C144 H324 Cl12 O84 S36 Zn6 -","6","0.166667","","Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He","Novel Noninterpenetrating (3,6) Topological Coordination Networks Assembled from Flexiblemeso-Bis(Sulfinyl) Bridging Ligands","Crystal Growth & Design","2004","4","2","219","","10.1021/cg0341398","","","0.71073","MoKα","","0.1204","0.0714","","","0.2037","0.2358","","","","","","1.013","","","","has coordinates","179587","2020-10-21","18:00:00","" "4505506","25.186","0.0017","25.186","0.0017","33.184","0.003","90","","90","","120","","18230","2","120","2","120","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C42 H29 Co N6 O13 -","- C42 H29 Co N6 O13 -","- C756 H522 Co18 N108 O234 -","18","0.5","","Ali, Afsar; Hundal, Geeta; Gupta, Rajeev","Co3±Based Building Blocks with Appended Phenol and Catechol Groups: Examples of Placing Hydrogen-Bond Donors and Acceptors in a Single Molecule","Crystal Growth & Design","2012","12","3","1308","","10.1021/cg201369g","","","0.71073","MoKα","","0.0845","0.0806","","","0.2024","0.2052","","","","","","1.273","","","","has coordinates","179590","2020-10-21","18:00:00","" "4505572","15.38","0.001","15.38","0.001","52.911","0.001","90","","90","","120","","10839","1","100","2","100","2","","","","","","","synthesis as described","5","R -3 c :H","-R 3 2""c","167","","poly-[dimethylammonium (mu-pyridazine-3,6-dicarboxylato)-k2N,O:kO') indate(III)]","","- C14 H12 In N5 O8 -","- C13.3267 H4 In N4.66 O8 -","- C239.88 H72 In18 N83.88 O144 -","18","0.5","","Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures","Crystal Growth & Design","2012","12","3","1501","","10.1021/cg201572y","","","0.71073","MoKα","","0.0496","0.0416","","","0.1296","0.1339","","","","","","1.114","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00","" "4505578","13.5182","0.0016","13.5182","0.0016","54.861","0.009","90","","90","","120","","8682","2","291","2","291","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C30 H54 Cu3 N6 O33 -","- C30 H54 Cu3 N6 O33 -","- C180 H324 Cu18 N36 O198 -","6","0.166667","","Lu, Zhiyong; Xing, Hang; Sun, Ran; Bai, Junfeng; Zheng, Baishu; Li, Yizhi","Water Stable Metal‒Organic Framework Evolutionally Formed from a Flexible Multidentate Ligand with Acylamide Groups for Selective CO2Adsorption","Crystal Growth & Design","2012","12","3","1081","","10.1021/cg201594p","","","0.71073","MoKα","","0.0827","0.0501","","","0.104","0.1101","","","","","","1.099","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00","" "4506797","17.527","0.002","17.527","0.002","46.452","0.007","90","","90","","120","","12358","3","200","2","200","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C51 H91 Co2 N11 O31 -","- C51 H18 Co2 N11 O31 -","- C306 H108 Co12 N66 O186 -","6","0.166667","","Lisnard, Laurent; Chamoreau, Lise-Marie; Li, Yanling; Journaux, Yves","Solvothermal Synthesis of Oxamate-Based Helicate: Temperature Dependence of the Hydrogen Bond Structuring in the Solid","Crystal Growth & Design","2012","12","10","4955","","10.1021/cg300877r","","","0.71073","MoKα","","0.1257","0.0849","","","0.2619","0.2981","","","","","","1.135","","","","has coordinates,has disorder","179603","2020-10-21","18:00:00","" "4506985","14.553","0.003","14.553","0.003","68.745","0.016","90","","90","","120","","12609","5","180","2","180","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C67 H66 B4 F16 Fe2 N28 O4 -","- C66 H54 Fe2 N24 -","- C396 H324 Fe12 N144 -","6","0.166667","","Stevenson, Kristina A.; Melan, Caroline F. C.; Fleischel, Olivier; Wang, Ruiyao; Petitjean, Anne","Solid-State Self-Assembly of Triazolylpyridine-Based Helicates and Mesocate: Control of the Metal‒Metal Distances","Crystal Growth & Design","2012","12","11","5169","","10.1021/cg301197w","","","0.71073","MoKα","","0.0682","0.0459","","","0.1201","0.1268","","","","","","1.031","","","","has coordinates","179605","2020-10-21","18:00:00","" "4506987","14.6131","0.0004","14.6131","0.0004","68.83","0.002","90","","90","","120","","12729","0.6","180","2","180","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C23 H20 B4 Cl8 F16 N2 Ni2 O2 -","- C35.5 H27 B3 Cl3 F12 N12 Ni O1.75 -","- C426 H324 B36 Cl36 F144 N144 Ni12 O21 -","12","0.333333","","Stevenson, Kristina A.; Melan, Caroline F. C.; Fleischel, Olivier; Wang, Ruiyao; Petitjean, Anne","Solid-State Self-Assembly of Triazolylpyridine-Based Helicates and Mesocate: Control of the Metal‒Metal Distances","Crystal Growth & Design","2012","12","11","5169","","10.1021/cg301197w","","","0.71073","MoKα","","0.1782","0.1302","","","0.282","0.2859","","","","","","7.396","","","","has coordinates","179605","2020-10-21","18:00:00","" "4508066","17.2454","0.0008","17.2454","0.0008","84.294","0.006","90","","90","","120","","21711","2","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C54 H45 Co7 N0 O36 -","- C54 H39 Co7 O36 -","- C648 H468 Co84 O432 -","12","0.333333","","Tian, Chongbin; Lin, Zujin; Du, Shaowu","Three New Three-Dimensional Frameworks Based on Hepta-, Hexa-, and Pentanuclear Cobalt Clusters Derived from Substituted Isophthalic Acids: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2013","13","8","3746","","10.1021/cg4007789","","","0.71073","MoKα","","0.0572","0.0537","","","0.1595","0.1643","","","","","","1.091","","","","has coordinates,has disorder","179616","2020-10-21","18:00:00","" "4509043","16.9328","0.0012","16.9328","0.0012","46.598","0.008","90","","90","","120","","11571","2","294","2","294","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C14 H16 B2 Cu F8 N8 O2 -","- C14 H16 B2 Cu F8 N8 O2 -","- C252 H288 B36 Cu18 F144 N144 O36 -","18","0.5","","Wang, Ying; Zhao, Xiao-Qing; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Self-Assembly of a Series of Metal−Organic Frameworks Based on 4-Pyridyl-1,2,4-triazole and Copper(II) Ion","Crystal Growth & Design","2009","9","5","2137","","10.1021/cg800719u","","","0.71073","MoKα","","0.1461","0.097","","","0.2553","0.3286","","","","","","1.078","","","","has coordinates","179626","2020-10-21","18:00:00","" "4509178","55.816","0.003","55.816","0.003","13.957","0.002","90","","90","","120","","37657","6","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C84 H70.5 Cd3 N10 O22.25 -","- C84 H70.5 Cd3 N10 O22.25 -","- C1512 H1269 Cd54 N180 O400.5 -","18","0.5","","Huang, Kun-Lin; Liu, Xi; Chen, Xin; Wang, Da-Qi","Spontaneous Assembly of 63Topological Metal−Organic Nanotubes with Distinct Asymmetric Subunits for the Construction of Hydrophilic Intertube Channels Encapsulating Rare Helical Water-Chains","Crystal Growth & Design","2009","9","4","1646","","10.1021/cg800995h","","","0.71073","MoKα","","0.1516","0.0788","","","0.218","0.2806","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4509333","20.9587","0.0006","20.9587","0.0006","47.752","0.003","90","","90","","120","","18165.6","1.4","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C36 H38 Ag N8 O5.33 -","- C36 H38 Ag N8 O5.33333 -","- C648 H684 Ag18 N144 O96 -","18","0.5","","Santillan, Guillermo A.; Carrano, Carl J.","Self-Assembly of Silver(I) Coordination Polymers Formed through Hydrogen Bonding with Ditopic Heteroscorpionate Ligands","Crystal Growth & Design","2009","9","3","1590","","10.1021/cg801256h","","","0.71073","MoKα","","0.0549","0.0443","","","0.1581","0.1711","","","","","","1.153","","","","has coordinates","179629","2020-10-21","18:00:00","" "4509487","27.305","0.0014","27.305","0.0014","77.304","0.008","90","","90","","120","","49913","6","100","2","100","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C321 H228 Ag8 F48 N12 O6 S18 Sb8 -","- C321 H228 Ag8 F48 N12 O6 S18 Sb8 -","- C1926 H1368 Ag48 F288 N72 O36 S108 Sb48 -","6","0.166667","","Sun, Yan-Qiong; Yang, Chen; Xu, Zhengtao; Zeller, Matthias; Hunter, Allen D.","Networks of Hexagonal Hierarchy from a Self-Similar Tritopic Molecule","Crystal Growth & Design","2009","9","4","1663","","10.1021/cg9001863","","","0.71073","MoKα","","0.1657","0.1048","","","0.3027","0.3445","","","","","","1.05","","","","has coordinates,has disorder","179630","2020-10-21","18:00:00","" "4509902","34.0012","0.003","34.0012","0.003","154.0023","0.005","90","","90","","120","","154186","2","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C168 H96 N12 O79 P12 Zn11 -","- C168 H96 N12 O79 P12 Zn11 -","- C2016 H1152 N144 O948 P144 Zn132 -","12","0.333333","","Li, Bao; Chen, Xi; Yu, Fan; Yu, Wenjing; Zhang, Tianle; Sun, Di","Luminescent Response of One Anionic Metal‒Organic Framework Based on Novel Octa-nuclear Zinc Cluster to Exchanged Cations","Crystal Growth & Design","2014","14","2","410","","10.1021/cg401766j","","","0.71073","MoKα","","0.2588","0.1401","","","0.351","0.4341","","","","","","1.173","","","","has coordinates","179635","2020-10-21","18:00:00","" "4512977","19.9356","0.0006","19.9356","0.0006","50.3772","0.0013","90","","90","","120","","17339","0.9","140","2","140","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C26 H30 Mn N8 O4 -","- C26 H30 Mn N8 O4 -","- C468 H540 Mn18 N144 O72 -","18","0.5","","Tomar, Kapil; Rajak, Richa; Sanda, Suresh; Konar, Sanjit","Synthesis and Characterization of Polyhedral-Based Metal‒Organic Frameworks Using a Flexible Bipyrazole Ligand: Topological Analysis and Sorption Property Studies","Crystal Growth & Design","2015","15","6","2732","","10.1021/acs.cgd.5b00056","","","0.71073","MoKα","","0.0891","0.0685","","","0.1525","0.1616","","","","","","1.168","","","","has coordinates","176428","2020-10-21","18:00:00","" "4512978","19.688","0.0015","19.688","0.0015","48.637","0.005","90","","90","","120","","16327","2","140","2","140","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C26 H30 N8 Ni O4 -","- C26 H30 N8 Ni O4 -","- C468 H540 N144 Ni18 O72 -","18","0.5","","Tomar, Kapil; Rajak, Richa; Sanda, Suresh; Konar, Sanjit","Synthesis and Characterization of Polyhedral-Based Metal‒Organic Frameworks Using a Flexible Bipyrazole Ligand: Topological Analysis and Sorption Property Studies","Crystal Growth & Design","2015","15","6","2732","","10.1021/acs.cgd.5b00056","","","0.71073","MoKα","","0.0885","0.0654","","","0.132","0.1412","","","","","","1.155","","","","has coordinates","176428","2020-10-21","18:00:00","" "4512979","19.791","0.006","19.791","0.006","48.771","0.015","90","","90","","120","","16544","9","140","2","140","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C26 H30 Co N8 O4 -","- C26 H30 Co N8 O4 -","- C468 H540 Co18 N144 O72 -","18","0.5","","Tomar, Kapil; Rajak, Richa; Sanda, Suresh; Konar, Sanjit","Synthesis and Characterization of Polyhedral-Based Metal‒Organic Frameworks Using a Flexible Bipyrazole Ligand: Topological Analysis and Sorption Property Studies","Crystal Growth & Design","2015","15","6","2732","","10.1021/acs.cgd.5b00056","","","0.71073","MoKα","","0.1018","0.0668","","","0.1739","0.1912","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00","" "4513647","36.018","0.003","36.018","0.003","21.452","0.002","90","","90","","120","","24101","4","290","2","290","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C120 H126 N30 O42 Zn6 -","- C120 H126 N30 O42 Zn6 -","- C720 H756 N180 O252 Zn36 -","6","0.166667","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","One- and Two-Step Self-Assembly Processes in Zn(II) Supramolecular Frameworks with Ditopic Bis(pyrazolyl)methane Ligands. Chiral Recognition and Formation of Cyclic Helicates","Crystal Growth & Design","2015","15","11","5174","","10.1021/acs.cgd.5b01150","","","0.71073","MoKα","","0.1292","0.0905","","","0.2763","0.3167","","","","","","1.167","","","","has coordinates","170050","2020-10-21","18:00:00","" "4514257","24.4635","0.0015","24.4635","0.0015","112.996","0.008","90","","90","","120","","58564","7","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C90 H42 N12 O32 Zn8 -","- C90 H42 N12 O32 Zn8 -","- C1080 H504 N144 O384 Zn96 -","12","0.333333","","Glomb, Sebastian; Woschko, Dennis; Makhloufi, Gamall; Janiak, Christoph","Metal-Organic Frameworks with Internal Urea-Functionalized Dicarboxylate Linkers for SO2 and NH3 Adsorption.","ACS applied materials & interfaces","2017","9","42","37419","37434","10.1021/acsami.7b10884","","","1.54178","CuKα","","0.1564","0.1107","","","0.3052","0.3443","","","","","","1.1","","","","has coordinates,has disorder","202549","2020-10-21","18:00:00","" "4515342","16.3738","0.0006","16.3738","0.0006","56.467","0.003","90","","90","","120","","13110.7","1","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C33 H39 N6 O12 Tb -","- C33 H39 N6 O12 Tb -","- C396 H468 N72 O144 Tb12 -","12","0.333333","","She, Wei; Qi, Tianqinji; Cui, Mengxing; Yan, Pengfei; Ng, Seik Weng; Li, Weizuo; Li, Guangming","High Catalytic Performance of a CeO2-Supported Ni Catalyst for Hydrogenation of Nitroarenes, Fabricated via Coordination-Assisted Strategy.","ACS applied materials & interfaces","2018","10","17","14698","14707","10.1021/acsami.8b01187","","","0.71073","MoKα","","0.0734","0.0492","","","0.126","0.1436","","","","","","1.058","","","","has coordinates","225500","2020-10-21","18:00:00","" "4515382","27.4404","0.0005","27.4404","0.0005","119.124","0.003","90","","90","","120","","77680","3","200","2","200","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C258 H192 Cu24 N12 O144 -","- C258 H192 Cu24 N12 O144 -","- C1548 H1152 Cu144 N72 O864 -","6","0.166667","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","1.54178","CuKα","","0.1624","0.1115","","","0.2753","0.343","","","","","","1.01","","","","has coordinates","225535","2020-10-21","18:00:00","" "4516793","32.89","0.007","32.89","0.007","73.485","0.015","90","","90","","120","","68843","3","100","2","100","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C134 H126 N2 O46 Ti8 Zr2 -","- C134 H126 N2 O46 Ti8 Zr2 -","- C2412 H2268 N36 O828 Ti144 Zr36 -","18","0.5","","Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai","[Ti8Zr2O12(COO)16] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks.","ACS central science","2018","4","1","105","111","10.1021/acscentsci.7b00497","","","0.71073","MoKα","","0.129","0.0587","","","0.1409","0.1827","","","","","","1.006","","","","has coordinates","239542","2020-10-21","18:00:00","" "4517317","27.45","0.0004","27.45","0.0004","73.194","0.002","90","","90","","120","","47762.9","1.6","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C42 H22 Cl0 Fe3 N0 O16 -","- C42 H22 Fe3 O16 -","- C756 H396 Fe54 O288 -","18","0.5","","Xue, Yingying; Zhang, Jian-Wei; Li, Yongpeng; Li, Haipeng; Wang, Ying; Li, Shuni; Jiang, Yucheng; Hu, Mancheng; Zhai, Quanguo","The mimic of ferroalloy to develop a bifunctional Fe-organic framework platform for enhanced gas sorption and efficient oxygen evolution electrocatalysis.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b17492","","","1.54178","CuKα","","0.0689","0.0597","","","0.1638","0.1683","","","","","","1.02","","","","has coordinates","246969","2020-10-21","18:00:00","" "4517433","9.7229","0.0001","9.7229","0.0001","58.2467","0.0008","90","","90","","120","","4768.63","0.1","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- K2 Mo15 Se19 -","- K2 Mo15 Se19 -","- K12 Mo90 Se114 -","6","0.166667","","Daigre, Gilles; Gougeon, Patrick; Gall, Philippe; Merdrignac-Conanec, Odile; Al Rahal Al Orabi, Rabih; Gautier, Régis; Dauscher, Anne; Candolfi, Christophe; Lenoir, Bertrand","Unravelling the Beneficial Influence of Ag insertion on the Thermoelectric Properties of the Cluster Compound K2Mo15Se19","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.9b02488","","","0.71069","MoKα","","0.0662","0.031","","","0.052","0.0588","","","","","","1.058","","","","has coordinates","248371","2020-10-21","18:00:00","" "4517434","9.9615","0.0001","9.9615","0.0001","57.5198","0.0009","90","","90","","120","","4943.08","0.1","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ag2.19 K2 Mo15 Se19 -","- Ag2.2182 K2 Mo15 Se19 -","- Ag13.3092 K12 Mo90 Se114 -","6","0.166667","","Daigre, Gilles; Gougeon, Patrick; Gall, Philippe; Merdrignac-Conanec, Odile; Al Rahal Al Orabi, Rabih; Gautier, Régis; Dauscher, Anne; Candolfi, Christophe; Lenoir, Bertrand","Unravelling the Beneficial Influence of Ag insertion on the Thermoelectric Properties of the Cluster Compound K2Mo15Se19","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.9b02488","","","0.71069","MoKα","","0.0551","0.0296","","","0.0485","0.0549","","","","","","1.14","","","","has coordinates","248372","2020-10-21","18:00:00","" "4517989","23.7778","0.0005","23.7778","0.0005","15.0626","0.0004","90","","90","","120","","7375.2","0.3","293","2","293","2","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- C18 N12 -","- C18 N12 -","- C324 N216 -","18","0.5","","Yadav, Ashok; Panda, Dillip K.; Zhang, Shiyu; Zhou, Wei; Saha, Sourav","Electrically Conductive 3D Metal-Organic Framework Featuring π-Acidic Hexaazatriphenylene Hexacarbonitrile Ligands with Anion-π Interaction and Efficient Charge-Transport Capabilities.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c12388","","","0.71073","MoKα","","0.0782","0.0622","","","0.1427","0.151","","","","","","1.181","","","","has coordinates","255715","2020-10-21","18:00:00","" "4518075","15.494","0.0017","15.494","0.0017","54.709","0.006","90","","90","","120","","11374","2","100","","100","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C36 H45 F9 N4 O3 -","- C36 H45 F9 N4 O3 -","- C432 H540 F108 N48 O36 -","12","0.333333","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0634","0.0554","","","0.1486","0.1548","","","","","","1.079","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00","" "4519001","29.259","0.003","29.259","0.003","23.165","0.002","90","","90","","120","","17174","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","NiI(PCy3)2 diethyl ether solvate","","","- C36 H66 I Ni P2 -","- C36 H66 I Ni P2 -","- C648 H1188 I18 Ni18 P36 -","18","0.5","","Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.","Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)","ACS Catalysis","2021","11","16","10208","10222","10.1021/acscatal.1c02790","","","0.71073","MoKα","","0.0473","0.032","","","0.0784","0.0861","","","","","","1.067","","","","has coordinates","268427","2021-09-03","19:47:45","" "4519205","20.7951","0.0006","20.7951","0.0006","93.704","0.006","90","","90","","120","","35092","3","200","2","200","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C57 H56 Cu4 I4 N22 O2 S6 -","- C56.9991 H55.9992 Cu4 I4 N21.9998 O1.9998 S6 -","- C683.989 H671.99 Cu48 I48 N263.998 O23.9976 S72 -","12","0.333333","","Huang, Huilin; Jing, Xu; Zhong, Bingwen; Meng, Changgong; Duan, Chunying","Cuprous Cluster-Based Coordination Sheets as Photocatalytic Regulators to Activate Oxygen, Benzoquinone, and Thianthrenium Salts.","ACS applied materials & interfaces","2021","13","49","58498","58507","10.1021/acsami.1c16280","","","0.71073","MoKα","","0.0844","0.0713","","","0.2151","0.2247","","","","","","1.07","","","","has coordinates,has disorder","271701","2022-01-03","20:14:02","" "4519206","20.5","0.0003","20.5","0.0003","87.071","0.003","90","","90","","120","","31689.2","1.3","110","2","110","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C61.5 H58.5 Cu4 I4 N18.5 O7.5 S6 -","- C64.5 H78 Cu4 I4 N21.5 O4.5 S6 -","- C774 H936 Cu48 I48 N258 O54 S72 -","12","0.333333","","Huang, Huilin; Jing, Xu; Zhong, Bingwen; Meng, Changgong; Duan, Chunying","Cuprous Cluster-Based Coordination Sheets as Photocatalytic Regulators to Activate Oxygen, Benzoquinone, and Thianthrenium Salts.","ACS applied materials & interfaces","2021","13","49","58498","58507","10.1021/acsami.1c16280","","","0.71073","MoKα","","0.0836","0.0649","","","0.1954","0.2092","","","","","","1.13","","","","has coordinates,has disorder","271702","2022-01-03","20:15:21","" "5000036","4.6916","0.0004","4.6916","0.0004","15.3796","0.0016","90","","90","","120","","293.2","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Iron carbonate","Siderite","- C Fe O3 -","- C Fe O3 -","- C6 Fe6 O18 -","6","0.166667","","Effenberger, H.; Mereiter, K.; Zemann, J.","Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates","Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1981","156","","233","243","10.1524/zkri.1981.156.3-4.233","","","","","","","","","","","","","","","","","","","","","has coordinates","208882","2020-10-21","18:00:00","" "5000092","4.7607","0.0009","4.7607","0.0009","12.9947","0.0017","90","","90","","120","","255.1","","","","","","","","100","","","","","2","R -3 c :H","-R 3 2""c","167","","Aluminium oxide - Cr-doped","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Finger, L W; Hazen, R M","Crystal structure and compression of ruby to 46 kbar","Journal of Applied Physics","1978","49","","5823","5826","10.1063/1.324598","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:21","" "5910082","5.0079","0.0003","5.0079","0.0003","13.6467","0.0009","90","","90","","120","","296.39","0.03","","","","","","","","","","","synthetic","2","R -3 c :H","-R 3 2""c","167","","Iron(III) oxide - $-alpha","Hematite","- Fe2 O3 -","- Fe2 O3 -","- Fe12 O18 -","6","0.166667","","Finger, L W; Hazen, R M","Crystal structure and isothermal compression of Fe2 O3, Cr2 O3, and V2 O3 to 50 kbars","Journal of Applied Physics","1980","51","","5362","5367","10.1063/1.327451","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","201983","2020-10-21","18:00:00","" "7000187","13.2424","0.0015","13.2424","0.0015","90.514","0.005","90","","90","","120","","13746","2","123","2","123","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Hepta-tert.butyl-tricyclo(7.3.3.1(5,11))heptasiloxane-ende- endo-3,7,14-triol","Hepta-tert.butyl-tricyclo[7.3.3.1(5,11)]heptasiloxane-ende-endo-3,7,14-triol","","- C28 H66 O12 Si7 -","- C28 H66 O12 Si7 -","- C336 H792 O144 Si84 -","12","0.333333","","Spirk, Stefan; Nieger, Martin; Belaj, Ferdinand; Pietschnig, Rudolf","Formation and hydrogen bonding of a novel POSS-trisilanol","Dalton Transactions","2009","","1","163","167","10.1039/b812974f","","","0.71073","MoKα","","0.1108","0.0604","","","0.1172","0.138","","","","","","1.167","","","","has coordinates","179679","2020-10-21","18:00:00","" "7000266","10.4585","0.0003","10.4585","0.0003","69.627","0.003","90","","90","","120","","6595.5","0.4","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C36 H51 N6 O15 Tb -","- C35.98 H51 N6.02 O15 Tb -","- C215.88 H306 N36.12 O90 Tb6 -","6","0.166667","","Lunstroot, Kyra; Driesen, Kris; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Görller-Walrand, Christiane; Binnemans, Koen; Bellayer, Séverine; Viau, Lydie; Le Bideau, Jean; Vioux, André","Lanthanide-doped luminescent ionogels","Dalton Transactions","2009","","2","298","306","10.1039/b812292j","","","1.54178","CuKα","","0.0674","0.0619","","","0.1755","0.1832","","","","","","1.105","","","","has coordinates","179680","2020-10-21","18:00:00","" "7000364","12.4457","0.0002","12.4457","0.0002","57.2653","0.0011","90","","90","","120","","7681.8","0.2","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C44 H68 I N12 Na O12 -","- C44 H68 I N12 Na O12 -","- C264 H408 I6 N72 Na6 O72 -","6","0.166667","","Maria, Leonor; Fernandes, Célia; Garcia, Raquel; Gano, Lurdes; Paulo, António; Santos, Isabel Cordeiro; Santos, Isabel","Tris(pyrazolyl)methane 99mTc tricarbonyl complexes for myocardial imaging","Dalton Transactions","2009","","4","603","","10.1039/b817451b","","","0.71069","MoKα","","0.0445","0.0286","","","0.0665","0.0703","","","","","","1.027","","","","has coordinates","179681","2020-10-21","18:00:00","" "7001383","61.939","0.011","61.939","0.011","27.657","0.009","90","","90","","120","","91889","4","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","Cu16 S10, 4(C16 H36 N), 2(C4 H10 O)","Cu16 S10, 4(C16 H36 N), 2(C4 H10 O)","","- C72 H164 Cu16 N4 O2 S10 -","- C64 H144 Cu16 N4 S10 -","- C2304 H5184 Cu576 N144 S360 -","36","1","","Yang, Lei; Wang, Zhaodong; Powell, Douglas R.; Houser, Robert P.","A [Cu16S10]4− cluster containing μ3- and μ4-sulfido ligands","Dalton Transactions","2009","","23","4439","4441","10.1039/b905375a","","","0.71073","MoKα","","0.125","0.1067","","","0.2886","0.2996","","","","","","1.068","","","","has coordinates","209594","2020-10-21","18:00:00","" "7002370","13.1204","0.0009","13.1204","0.0009","69.238","0.009","90","","90","","120","","10322.1","1.7","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C39 H45 Co N7 O1.5 -","- C39 H45 Co N7 O1.5 -","- C468 H540 Co12 N84 O18 -","12","0.333333","","Amoroso, Angelo J.; Edwards, Peter G.; Howard, Sian T.; Kariuki, Benson M.; Knight, James C.; Ooi, Liling; Malik, K. M. Abdul; Stratford, Lisa; Al-Sudani, A.-R. H.","The synthesis and coordination chemistry of a tris-8-aminoquinoline tripodal ligand","Dalton Transactions","2009","","39","8356","8362","10.1039/b909122j","","","0.71069","MoKα","","0.1321","0.0685","","","0.1773","0.2129","","","","","","1.054","","","","has coordinates","209606","2020-10-21","18:00:00","" "7002393","20.8403","0.0016","20.8403","0.0016","29.327","0.005","90","","90","","120","","11031","2","293","2","293","2","","","","","","","synthesis as described","6","R -3 c :H","-R 3 2""c","167","","","","- C18 H22 Cu2 N8 O4 S3 -","- C18 H22 Cu2 N8 O4 S3 -","- C324 H396 Cu36 N144 O72 S54 -","18","0.5","","Pedrido, Rosa; Romero, María J.; Bermejo, Manuel R.; Martínez-Calvo, Miguel; González-Noya, Ana M.; Zaragoza, Guillermo","Coordinative trends of a tridentate thiosemicarbazone ligand: synthesis, characterization, luminescence studies and desulfurization processes","Dalton Transactions","2009","","39","8329","8340","10.1039/b908782f","","x-ray","0.7107","MoKα","","0.0474","0.0283","","","0.0669","0.0791","","","","","","1.12","","","","has coordinates,has disorder","179721","2020-10-21","18:00:00","" "7002510","12.896","0.0018","12.896","0.0018","74.468","0.015","90","","90","","120","","10725","3","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C33 H50 B2 N18 O3 Rh2 S6 -","- C33 H50 B2 N18 O3 Rh2 S6 -","- C198 H300 B12 N108 O18 Rh12 S36 -","6","0.166667","","Blagg, Robin J.; Adams, Christopher J.; Charmant, Jonathan P. H.; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Knight, James; Orpen, A. Guy; Ridgway, Benjamin M.","A novel route to rhodaboratranes [Rh(CO)(PR3){B(taz)3}]+via the redox activation of scorpionate complexes [RhLL′Tt]","Dalton Transactions","2009","","40","8724","8736","10.1039/b910108j","","","0.71073","MoKα","","0.0731","0.0501","","","0.1462","0.1543","","","","","","1.168","","","","has coordinates","179729","2020-10-21","18:00:00","" "7002933","17.172","0.0018","17.172","0.0018","60.643","0.007","90","","90","","120","","15486","3","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C28 H56 O2 P2 Si2 -","- C28 H56 O2 P2 Si2 -","- C504 H1008 O36 P36 Si36 -","18","0.5","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","A rearrangement of 1,1-linked four-membered rings to bicyclic bridgehead five-membered rings: A phosphorus turn","Dalton Transactions","2009","","47","10574","10580","10.1039/b916558d","","","0.71073","MoKα","","0.0624","0.048","","","0.1232","0.1418","","","","","","1.091","","","","has coordinates","179733","2020-10-21","18:00:00","" "7003107","13.0657","0.0018","13.0657","0.0018","54.299","0.011","90","","90","","120","","8028","2","93","2","93","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C21 H30 Cl2 Mn N4 O6 -","- C21 H30 Cl2 Mn N4 O6 -","- C252 H360 Cl24 Mn12 N48 O72 -","12","0.333333","","Guisado-Barrios, Gregorio; Li, Yang; Slawin, Alexandra M. Z.; Richens, David T.; Gass, Ian A.; Murray, Paul R.; Yellowlees, Lesley J.; Brechin, Euan K.","High spin d5 complexes of tris(6-hydroxymethyl-2-pyridylmethyl)amine (H3L): hepta-coordinated [Mn(H3L)]Cl2 and linear trinuclear [Fe3L2](ClO4)3","Dalton Transactions","2008","","4","551","558","10.1039/b712188a","","","0.71073","MoKα","","0.0934","0.0781","","","0.193","0.2079","","","","","","1.037","","","","has coordinates","179735","2020-10-21","18:00:00","" "7003826","45.21","0.004","45.21","0.004","15.024","0.005","90","","90","","120","","26594","9","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C144 H156 Cl6 Cu6 N18 O36 -","- C144 H156 Cl6 Cu6 N18 O36 -","- C864 H936 Cl36 Cu36 N108 O216 -","6","0.166667","","Company, Anna; Roques, Nans; Güell, Mireia; Mugnaini, Veronica; Gómez, Laura; Imaz, Inhar; Datcu, Angela; Solà, Miquel; Luis, Josep M.; Veciana, Jaume; Ribas, Xavi; Costas, Miquel","Nanosized trigonal prismatic and antiprismatic CuII coordination cages based on tricarboxylate linkers","Dalton Transactions","2008","","13","1679","1682","10.1039/b800027c","","","0.987","synchrotron","","0.1305","0.1046","","","0.2609","0.2781","","","","","","1.119","","","","has coordinates","179742","2020-10-21","18:00:00","" "7004759","16.423","0.005","16.423","0.005","59.95","0.03","90","","90","","120","","14003","9","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C74 H98 Br6 N8 S12 Sn3 -","- C74 H98 Br6 N8 S12 Sn3 -","- C444 H588 Br36 N48 S72 Sn18 -","6","0.166667","","Reyes-Martínez, Reyna; García, Patricia García y; López-Cardoso, Marcela; Höpfl, Herbert; Tlahuext, Hugo","Self-assembly of diphenyltin(iv) and tris-dithiocarbamate ligands to racemic trinuclear cavitands and capsules","Dalton Transactions","2008","","46","6624","6627","10.1039/b811768n","","","0.71073","MoKα","","0.0538","0.0431","","","0.1061","0.1122","","","","","","1.07","","","","has coordinates","179751","2020-10-21","18:00:00","" "7005098","14.5179","0.0005","14.5179","0.0005","73.73","0.005","90","","90","","120","","13458.1","1.1","243","2","243","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C45 H47.5 B N7 Ni O P0.5 Se3 -","- C45 H47.5 B N7 Ni O P0.5 Se3 -","- C540 H570 B12 N84 Ni12 O12 P6 Se36 -","12","0.333333","","Landry, Victoria K.; Pang, Keliang; Quan, Stephanie M.; Parkin, Gerard","Tetrahedral nickel nitrosyl complexes with tripodal [N3] and [Se3] donor ancillary ligands: structural and computational evidence that a linear nitrosyl is a trivalent ligand.","Dalton transactions (Cambridge, England : 2003)","2007","","8","820","824","10.1039/b616674a","","","0.71073","MoKα","","0.0583","0.0315","","","0.0609","0.0648","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7005108","13.7471","0.0014","13.7471","0.0014","60.04","0.005","90","","90","","120","","9826.4","1.6","150","","150","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C18 H42 Cu9 I14 N6 O9 Y -","- C18 H42 Cu9 I14 N6 O9 Y -","- C108 H252 Cu54 I84 N36 O54 Y6 -","6","0.166667","","Mishra, Shashank; Pfalzgraf, Liliane G Hubert; Jeanneau, Erwann; Chermette, Henry","From discrete [Y(DMF)8][Cu4(mu3-I)2(mu-I)3I2] ion pairs to extended [Y(DMF)6(H2O)2][Cu7(mu4-I)3(mu3-I)2(mu-I)4(I)]1infinity and [Y(DMF)6(H2O)3][Cu(I)7Cu(II)2(mu3-I)8(mu-I)6]2infinity arrays by H-bond templating in a confined solvent-free environment.","Dalton transactions (Cambridge, England : 2003)","2007","","4","410","413","10.1039/b616800k","","","0.71073","MoKα","","0.1407","0.089","","0.0839","0.0763","0.0763","","","","","","1.0663","","","","has coordinates","179755","2020-10-21","18:00:00","" "7005745","16.5986","0.0019","16.5986","0.0019","43.035","0.007","90","","90","","120","","10268","2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C18.33 H25 Mg N2.33 O8.33 -","- C18.36 H25.06 Mg N2.34 O8.34 -","- C330.48 H451.08 Mg18 N42.12 O150.12 -","18","0.5","","Davies, Robert P.; Less, Robert J.; Lickiss, Paul D.; White, Andrew J. P.","Framework materials assembled from magnesium carboxylate building units.","Dalton transactions (Cambridge, England : 2003)","2007","","24","2528","2535","10.1039/b705028c","","","1.54248","CuKα","","0.0543","0.0529","","","0.1432","0.1441","","","","","","1.069","","","","has coordinates,has disorder","179761","2020-10-21","18:00:00","" "7005880","16.7988","0.0005","16.7988","0.0005","102.377","0.004","90","","90","","120","","25020.1","1.4","193","2","193","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","5,free ligand","","","- C74 H105 N9 O4 -","- C70 H97 N9 O3 -","- C840 H1164 N108 O36 -","12","0.333333","","Mitra, Ranjan; Peters, Matthew W.; Scott, Michael J.","Synthesis and reactivity of a C3-symmetric trinuclear zinc(II) hydroxide catalyst efficient at phosphate diester transesterification.","Dalton transactions (Cambridge, England : 2003)","2007","","35","3924","3935","10.1039/b706386e","","","0.71073","MoKα","","0.1716","0.0805","","","0.2202","0.263","","","","","","0.974","","","","has coordinates","179762","2020-10-21","18:00:00","" "7006126","25.8","0.003","25.8","0.003","22.612","0.005","90","","90","","120","","13035","4","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C75 H66 Ag4 F24 N18 O9 P4 -","- C75 H63 Ag4 F24 N18 O9 P4 -","- C450 H378 Ag24 F144 N108 O54 P24 -","6","0.166667","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Zhang, Hong-Yun; Li, Zhong-Jun; Hou, Hong-Wei","The first 1D twofold interpenetrating metal-organic network generated by 1D triple helical chains with nanosized cages.","Dalton transactions (Cambridge, England : 2003)","2007","","48","5710","5713","10.1039/b709204k","","","0.71073","MoKα","","0.0441","0.0372","","","0.1134","0.1206","","","","","","1.037","","","","has coordinates","179765","2020-10-21","18:00:00","" "7006350","23.98","0.0007","23.98","0.0007","32.5706","0.0009","90","","90","","120","","16220.1","0.8","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C96 H114 Ga N8 O12 P6 -","- C96 H114 Ga N8 O12 P6 -","- C576 H684 Ga6 N48 O72 P36 -","6","0.166667","","Kovacs, Michael S.; Monga, Vishakha; Patrick, Brian O.; Orvig, Chris","Lanthanide(III) and group 13 metal ion complexes of tripodal amino phosphinate ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","31","38","10.1039/b507905e","","","0.71073","MoKα","","0.0605","0.0455","","","0.126","0.1341","","","","","","1.075","","","","has coordinates","179767","2020-10-21","18:00:00","" "7008081","15.625","0.003","15.625","0.003","39.55","0.01","90","","90","","120","","8362","3","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C51 H60 Ag2 Cl2 O8 S6 -","- C51 H60 Ag2 Cl1.99 O7.99 S6 -","- C306 H360 Ag12 Cl11.94 O47.94 S36 -","6","0.166667","","Li, Jian-Rong; Bu, Xian-He; Jiao, Jiao; Du, Wen-Ping; Xu, Xiu-Hua; Zhang, Ruo-Hua","Novel dithioether-silver(I) coordination architectures: structural diversities by varying the spacers and terminal groups of ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","3","464","474","10.1039/b416576b","","","0.71073","MoKα","","0.0649","0.0434","","","0.1141","0.123","","","","","","1.035","","","","has coordinates","179784","2020-10-21","18:00:00","" "7008590","14.13","0.002","14.13","0.002","49.48","0.014","90","","90","","120","","8555","3","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","03039","","","- C48 H36 Cu3 N12 Nd2 O30 -","- C48 H36 Cu3 N12 Nd2 O30 -","- C288 H216 Cu18 N72 Nd12 O180 -","6","0.166667","","Gunning, Noel S.; Cahill, Christopher L.","Novel coordination polymers and structural systematics in the hydrothermal M,M' trans-3(-3-pyridyl)acrylic acid system.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2788","2792","10.1039/b504862a","","","0.71073","MoKα","","0.0658","0.0437","","","0.1096","0.1332","","","","","","1.03","","","","has coordinates","179789","2020-10-21","18:00:00","" "7009522","15.554","0.003","15.5541","","31.26","0.005","90","","90","","120","","6549.5","1.6","296.2","","296.2","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C12 H9 Au N2 O4 S2 -","- C13.5 H10.125 Au0.5625 N2.25 O4.5 S2.25 -","- C216 H162 Au9 N36 O72 S36 -","16","0.444444","","Nomiya, Kenji; Takahashi, Satoshi; Noguchi, Ryusuke","Synthesis and crystal structure of a hexanuclear silver(I) cluster [Ag(Hmna)]6·4H2O (H2mna = 2-mercaptonicotinic acid) and a supramolecular gold(I) complex H[Au(Hmna)2] in the solid state, and their antimicrobial activities","Journal of the Chemical Society, Dalton Transactions","2000","","13","2091","","10.1039/b001664k","","","0.7107","MoKα","","0.038","0.038","","0.038","","0.038","","","1.222","","","1.22","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010686","14.0454","0.0017","14.0454","0.0017","42.091","0.006","90","","90","","120","","7191","1.6","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C8 H23 Al11 N4 O48 P12 -","- Al11 O48 P12 -","- Al66 O288 P72 -","6","0.166667","","Wang, Kaixue; Yu, Jihong; Shi, Zhan; Miao, Peng; Yan, Wenfu; Xu, Ruren","Synthesis and characterization of a new three-dimensional aluminophosphate [Al11P12O48][C4H12N2][C4H11N2] with an Al/P ratio of 11 ∶ 12","Journal of the Chemical Society, Dalton Transactions","2001","","12","1809","","10.1039/b102327f","","","0.71073","MoKα","","0.1139","0.0696","","","0.1908","0.2117","","","","","","1.081","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010721","16.344","0.004","16.344","0.004","26.728","0.007","90","","90","","120","","6183","3","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C18 H36 Gd Mo6 N3 O33 -","- C18 H24 Gd Mo6 N3 O33 -","- C108 H144 Gd6 Mo36 N18 O198 -","6","0.166667","","Wu, Chuan-De; Lu, Can-Zhong; Liu, Jia-Cheng; Zhuang, Hong-Hui; Huang, Jin-Shun","A new heterometalate anion [GdMo6(CH3CHOCOO)6O15]3– with a nine-coordinate gadolinium encapsulated at the center","Journal of the Chemical Society, Dalton Transactions","2001","","21","3202","","10.1039/b102926f","","","0.71073","MoKα","","","0.0302","","","0.0949","0.1107","","","","","","0.846","","","","has coordinates","179811","2020-10-21","18:00:00","" "7011104","29.828","0.004","29.828","0.004","33.759","0.007","90","","90","","120","","26012","7","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","bis[di(aqua)copper(II){N,N'-bis[5-(2-Pyridyl)-4H-pyrazole-3-carbonyl]-1,2 -diaminoethane(2-)}] tetranitrate tetrahydrate","","- C120 H153 Cu12 N60 O76.5 -","- C120 H126 Cu12 N60 O76.46 -","- C720 H756 Cu72 N360 O458.76 -","6","0.166667","","Roland Krämer; Igor O. Fritsky; Hans Pritzkow; Larisa A. Kovbasyuk","Control of molecular topology by stereochemical preferences of metal ions: double helical versus side-by-side structures in tetranuclear copper(II) and nickel(II) complexes","J. Chem. Soc., Dalton Trans.","2002","","7","1307","1314","10.1039/b107593b","","","0.71073","MoKα","","0.1118","0.0485","","","0.1333","0.1498","","","","","","0.835","","","","has coordinates","176453","2020-10-21","18:00:00","" "7012671","12.3849","0.0008","12.3849","0.0008","57.736","0.004","90","","90","","120","","7669.4","0.9","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C17 H24 Cl2 Hg N8 O8 -","- C17 H24 Cl2 Hg N8 O8.01 -","- C204 H288 Cl24 Hg12 N96 O96.12 -","12","0.333333","","Bebout, Deborah C.; Garland, Melissa M.; Murphy, Geoffrey S.; Bowers, Edith V.; Abelt, Christopher J.; Butcher, Raymond J.","Investigation of the mercury(ii) coordination chemistry of tris[(1-methylimidazol-2-yl)methyl]amine by X-ray crystallography and NMRElectronic supplementary information (ESI) available: Cell packing diagrams for 1?3 and NMR figures showing trends in chemical shift as a function of [Hg(ii)]/1 for both Hg(ClO4)2 and HgCl2. See http://www.rsc.org/suppdata/dt/b3/b300001j/","Dalton Transactions","2003","","12","2578","","10.1039/b300001j","","","0.71073","MoKα","","0.0824","0.0391","","","0.0924","0.1108","","","","","","1.018","","","","has coordinates","179830","2020-10-21","18:00:00","" "7012718","36.442","0.005","36.442","0.008","19.618","0.003","90","","90","","120","","22563","7","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C43 H38 Cl4 N8 Nb2 O4 -","- C43 H38 Cl4 N8 Nb2 O4 -","- C774 H684 Cl72 N144 Nb36 O72 -","18","0.5","","Otero, A.; Fernández-Baeza, J.; Antiñolo, A.; Tejeda, J.; Lara-Sánchez, A.; Sánchez-Barba, L.; Expósito, M. T.; Rodríguez, A. M.","Niobium complexes containing a new chiral heteroscorpionate ligand and the reactivity of such a complex with O2 to give the first gem-diolate niobium complex","Dalton Transactions","2003","","8","1614","","10.1039/b300497j","","","0.71073","MoKα","","0.3362","0.0531","","","0.0912","0.1659","","","","","","0.831","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7013796","22.9416","0.0017","22.9416","0.0017","31.23","0.003","90","","90","","120","","14235","2","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C31 H33 I2 O0.67 P Rh2 -","- C31.0067 H33.02 I2 O0.66 P Rh2 -","- C558.12 H594.36 I36 O11.88 P18 Rh36 -","18","0.5","","Pechmann, Thomas; Brandt, Carsten D.; Werner, Helmut","Extending the coordination capabilities of tertiary phosphines and arsines: preparation, molecular structure, and reactivity of dinuclear rhodium complexes with PR3 and AsR3 in a doubly bridging coordination mode.","Dalton transactions (Cambridge, England : 2003)","2004","","6","959","966","10.1039/b314734g","","","0.71073","MoKα","","0.0649","0.0643","","","0.1368","0.1371","","","","","","1.337","","","","has coordinates","179841","2020-10-21","18:00:00","" "7013915","10.313","0.003","10.313","0.003","67.52","0.04","90","","90","","120","","6219","4","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C24 H54 Cd Cl2 O14 S6 -","- C24 H54 Cd Cl2 O14 S6 -","- C144 H324 Cd6 Cl12 O84 S36 -","6","0.166667","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua","Novel Cd(II) coordination polymers with flexible disulfoxide ligands: effects of ligand spacers, terminal groups and counter anions on the complex framework formations.","Dalton transactions (Cambridge, England : 2003)","2004","","5","813","819","10.1039/b316441a","","","0.71073","MoKα","","0.1106","0.063","","","0.1399","0.1646","","","","","","1.054","","","","has coordinates,has disorder","179843","2020-10-21","18:00:00","" "7013959","12.4967","0.0004","12.4967","0.0004","108.85","0.04","90","","90","","120","","14721","5","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","(Y(CH(SiMe3)2)3(NCtBu)2). 1/2(cyclohexane)","","","- C34 H81 N2 Si6 Y -","- C34 H81 N2 Si6 Y -","- C408 H972 N24 Si72 Y12 -","12","0.333333","","Avent, Anthony G.; Caro, Catherine F.; Hitchcock, Peter B.; Lappert, Michael F.; Li, Zhengning; Wei, Xue-Hong","Synthetic and structural experiments on yttrium, cerium and magnesium trimethylsilylmethyls and their reaction products with nitriles; with a note on two cerium beta-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1567","1577","10.1039/b316695n","","","0.7107","MoKα","","0.0629","0.0418","","","0.0873","0.0939","","","","","","1.031","","","","has coordinates","179843","2020-10-21","18:00:00","" "7014009","24.5027","0.0008","24.5027","0.0008","84.524","0.005","90","","90","","120","","43948","3","193","2","193","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C84 H115 B6 F24 N48 Ni4 O27.5 -","- C84 H84 B6 F24 N48 Ni4 O27.5 -","- C1008 H1008 B72 F288 N576 Ni48 O330 -","12","0.333333","","Zhao, Liang; Niel, Virginie; Thompson, Laurence K.; Xu, Zhiqiang; Milway, Victoria A.; Harvey, Rosemary G.; Miller, David O.; Wilson, Claire; Leech, Michael; Howard, Judith A. K.; Heath, Sarah L.","Self-assembled polynuclear clusters derived from some flexible polydentate dihydrazide ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1446","1455","10.1039/b317091h","","","0.71073","MoKα","","0.1063","0.0887","","","0.2703","0.2914","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00","" "7014041","17.028","0.005","17.028","0.005","47.342","0.005","90","0.005","90","0.005","120","0.005","11888","5","193","2","193","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Bis(N,N-dimethylaminoethyl-1,2,3,4-tetramethylcyclopentadienyl)barium(II)","","- C26 H44 Ba N2 -","- C26 H44 Ba N2 -","- C468 H792 Ba18 N36 -","18","0.5","","Hatanpää, Timo; Vehkamäki, Marko; Mutikainen, Ilpo; Kansikas, Jarno; Ritala, Mikko; Leskelä, Markku","Synthesis and characterisation of cyclopentadienyl complexes of barium: precursors for atomic layer deposition of BaTiO3.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1181","1188","10.1039/b400235k","","","0.71069","MoKα","","0.0588","0.0492","","","0.1139","0.1193","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00","" "7015111","13.019","0.002","13.019","0.002","63.286","0.01","90","","90","","120","","9290","2","150","2","150","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C16.5 H33 Cu3 I Mo N6 O1.5 S6 -","- C15 H30 Cu3 I Mo N6 O S6 -","- C180 H360 Cu36 I12 Mo12 N72 O12 S72 -","12","0.333333","","Beheshti, Azizollah; Clegg, William; Khorramdin, Rahman; Nobakht, Valiollah; Russo, Luca","Synthesis and structural characterization of mixed-metal complexes of Cu(I) with MOS3 cores (M = Mo, W) and of an unusual polymeric AgI/mercaptoimidazole complex with five different Ag(I) coordination environments.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2815","2821","10.1039/c0dt01195a","","","0.71073","MoKα","","0.1054","0.0773","","","0.214","0.2274","","","","","","1.121","","","","has coordinates,has disorder","179855","2020-10-21","18:00:00","" "7015974","12.6728","0.0019","12.6728","0.0019","42.174","0.007","90","","90","","120","","5865.7","1.6","120","2","120","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C24 H24 Cl8 Fe3 N6 S6 -","- C24 H24 Cl8 Fe3 N6 S6 -","- C144 H144 Cl48 Fe18 N36 S36 -","6","0.166667","","Abedi, Anita; Safari, Nasser; Amani, Vahid; Khavasi, Hamid Reza","Synthesis, characterization, mechanochromism and photochromism of [Fe(dm4bt)(3)][FeCl(4)](2) and [Fe(dm4bt)(3)][FeBr(4)](2), along with the investigation of steric influence on spin state.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6877","6885","10.1039/c0dt01508c","","","0.71073","MoKα","","0.0351","0.0341","","","0.0848","0.0856","","","","","","1.124","","","","has coordinates","179863","2020-10-21","18:00:00","" "7015975","12.8209","0.0007","12.8209","0.0007","43.002","0.003","90","","90","","120","","6121.5","0.6","120","2","120","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C24 H24 Br8 Fe3 N6 S6 -","- C24 H24 Br8 Fe3 N6 S6 -","- C144 H144 Br48 Fe18 N36 S36 -","6","0.166667","","Abedi, Anita; Safari, Nasser; Amani, Vahid; Khavasi, Hamid Reza","Synthesis, characterization, mechanochromism and photochromism of [Fe(dm4bt)(3)][FeCl(4)](2) and [Fe(dm4bt)(3)][FeBr(4)](2), along with the investigation of steric influence on spin state.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6877","6885","10.1039/c0dt01508c","","","0.71073","MoKα","","0.0462","0.0394","","","0.0955","0.0984","","","","","","1.171","","","","has coordinates","179863","2020-10-21","18:00:00","" "7015976","12.8035","0.0006","12.8035","0.0006","43.027","0.003","90","","90","","120","","6108.4","0.6","90","2","90","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C24 H24 Br8 Fe3 N6 S6 -","- C24 H24 Br8 Fe3 N6 S6 -","- C144 H144 Br48 Fe18 N36 S36 -","6","0.166667","","Abedi, Anita; Safari, Nasser; Amani, Vahid; Khavasi, Hamid Reza","Synthesis, characterization, mechanochromism and photochromism of [Fe(dm4bt)(3)][FeCl(4)](2) and [Fe(dm4bt)(3)][FeBr(4)](2), along with the investigation of steric influence on spin state.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6877","6885","10.1039/c0dt01508c","","","0.71073","MoKα","","0.0382","0.0321","","","0.064","0.066","","","","","","1.192","","","","has coordinates","179863","2020-10-21","18:00:00","" "7015977","12.9677","0.0018","12.9677","0.0018","43.692","0.009","90","","90","","120","","6362.9","1.8","298","2","298","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C24 H24 Br4 Fe3 N6 S6 -","- C24 H24 Br8 Fe3 N6 S6 -","- C144 H144 Br48 Fe18 N36 S36 -","6","0.166667","","Abedi, Anita; Safari, Nasser; Amani, Vahid; Khavasi, Hamid Reza","Synthesis, characterization, mechanochromism and photochromism of [Fe(dm4bt)(3)][FeCl(4)](2) and [Fe(dm4bt)(3)][FeBr(4)](2), along with the investigation of steric influence on spin state.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6877","6885","10.1039/c0dt01508c","","","0.71073","MoKα","","0.0839","0.0606","","","0.1476","0.1595","","","","","","1.11","","","","has coordinates","179863","2020-10-21","18:00:00","" "7016457","9.7075","0.0006","9.7075","0.0006","42.701","0.003","90","","90","","120","","3484.8","0.4","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- K4 O24 Te3 V6 -","- K4 O24 Te3 V6 -","- K24 O144 Te18 V36 -","6","0.166667","","Zhu, Tianxiang; Qin, Jingui; Halasyamani, P. Shiv","Synthesis and structure of A(4)V(6)[Te(2)(4+)Te(6+)]O(24) (A = K, Rb)-two new quaternary mixed-valent tellurium oxides.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8527","8532","10.1039/c1dt10538h","","","0.71073","MoKα","","0.0186","0.0177","","","0.0432","0.0435","","","","","","1.215","","","","has coordinates","179868","2020-10-21","18:00:00","" "7016458","9.8399","0.0009","9.8399","0.0009","43.012","0.004","90","","90","","120","","3606.6","0.6","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- O24 Rb4 Te3 V6 -","- O24 Rb4 Te3 V6 -","- O144 Rb24 Te18 V36 -","6","0.166667","","Zhu, Tianxiang; Qin, Jingui; Halasyamani, P. Shiv","Synthesis and structure of A(4)V(6)[Te(2)(4+)Te(6+)]O(24) (A = K, Rb)-two new quaternary mixed-valent tellurium oxides.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8527","8532","10.1039/c1dt10538h","","","0.71073","MoKα","","0.0301","0.0206","","","0.0473","0.0493","","","","","","1.061","","","","has coordinates","179868","2020-10-21","18:00:00","" "7017242","21.3256","0.0007","21.3256","0.0007","41.358","0.003","90","","90","","120","","16288.9","1.4","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C36.33 H30.33 As2 Cl S6 -","- C36 H30 As2 S6 -","- C648 H540 As36 S108 -","18","0.5","","Fontenot, Sean A.; Cangelosi, Virginia M.; Pitt, Melanie A. W.; Sather, Aaron C.; Zakharov, Lev N.; Berryman, Orion B.; Johnson, Darren W.","Design, synthesis and characterization of self-assembled As(2)L(3) and Sb(2)L(3) cryptands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12125","12131","10.1039/c1dt10817d","","","0.71073","MoKα","","0.0447","0.0385","","","0.1041","0.1081","","","","","","1.075","","","","has coordinates","179876","2020-10-21","18:00:00","" "7018214","13.9305","0.0003","13.9305","0.0003","43.3326","0.0018","90","","90","","120","","7282.5","0.4","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C54 H50 B2 N18 Zn -","- C54 H50 B2 N18 Zn -","- C324 H300 B12 N108 Zn6 -","6","0.166667","","Oseback, Shannon N.; Shim, Sarah W.; Kumar, Mukesh; Greer, Samuel M.; Gardner, Sean R.; Lemar, Keisha M.; Degregory, Paul R.; Papish, Elizabeth T.; Tierney, David L.; Zeller, Matthias; Yap, Glenn P. A.","Crowded bis ligand complexes of Ttz(Ph,Me) with first row transition metals rearrange due to ligand field effects: structural and electronic characterization (Ttz(Ph,Me) = tris(3-phenyl-5-methyl-1,2,4-triazolyl)borate).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2774","2787","10.1039/c2dt12029a","","","0.71073","MoKα","","0.0331","0.0297","","","0.0806","0.0834","","","","","","1.06","","","","has coordinates","179886","2020-10-21","18:00:00","" "7018216","13.9385","0.0009","13.9385","0.0009","43.155","0.006","90","","90","","120","","7261","1.2","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C54 H50 B2 N18 Ni -","- C54 H50 B2 N18 Ni -","- C324 H300 B12 N108 Ni6 -","6","0.166667","","Oseback, Shannon N.; Shim, Sarah W.; Kumar, Mukesh; Greer, Samuel M.; Gardner, Sean R.; Lemar, Keisha M.; Degregory, Paul R.; Papish, Elizabeth T.; Tierney, David L.; Zeller, Matthias; Yap, Glenn P. A.","Crowded bis ligand complexes of Ttz(Ph,Me) with first row transition metals rearrange due to ligand field effects: structural and electronic characterization (Ttz(Ph,Me) = tris(3-phenyl-5-methyl-1,2,4-triazolyl)borate).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2774","2787","10.1039/c2dt12029a","","","0.71073","MoKα","","0.0452","0.0378","","","0.1002","0.1062","","","","","","1.034","","","","has coordinates","179886","2020-10-21","18:00:00","" "7018221","13.8978","0.0015","13.8978","","43.178","0.005","90","","90","","120","","7222.5","1.1","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C54 H50 B2 Co N18 -","- C54 H50 B2 Co N18 -","- C324 H300 B12 Co6 N108 -","6","0.166667","","Oseback, Shannon N.; Shim, Sarah W.; Kumar, Mukesh; Greer, Samuel M.; Gardner, Sean R.; Lemar, Keisha M.; Degregory, Paul R.; Papish, Elizabeth T.; Tierney, David L.; Zeller, Matthias; Yap, Glenn P. A.","Crowded bis ligand complexes of Ttz(Ph,Me) with first row transition metals rearrange due to ligand field effects: structural and electronic characterization (Ttz(Ph,Me) = tris(3-phenyl-5-methyl-1,2,4-triazolyl)borate).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2774","2787","10.1039/c2dt12029a","","","0.71073","MoKα","","0.0534","0.0394","","","0.0963","0.1049","","","","","","1.034","","","","has coordinates","179886","2020-10-21","18:00:00","" "7018223","13.9034","0.0004","13.9034","0.0004","43.507","0.003","90","","90","","120","","7283.4","0.6","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C54 H50 B2 Fe N18 -","- C54 H50 B2 Fe N18 -","- C324 H300 B12 Fe6 N108 -","6","0.166667","","Oseback, Shannon N.; Shim, Sarah W.; Kumar, Mukesh; Greer, Samuel M.; Gardner, Sean R.; Lemar, Keisha M.; Degregory, Paul R.; Papish, Elizabeth T.; Tierney, David L.; Zeller, Matthias; Yap, Glenn P. A.","Crowded bis ligand complexes of Ttz(Ph,Me) with first row transition metals rearrange due to ligand field effects: structural and electronic characterization (Ttz(Ph,Me) = tris(3-phenyl-5-methyl-1,2,4-triazolyl)borate).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2774","2787","10.1039/c2dt12029a","","","0.71073","MoKα","","0.0403","0.0336","","","0.0858","0.091","","","","","","1.042","","","","has coordinates","179886","2020-10-21","18:00:00","" "7018224","13.8711","0.0008","13.8711","0.0008","43.853","0.005","90","","90","","120","","7307.2","1","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C54 H50 B2 Mn N18 -","- C54 H50 B2 Mn N18 -","- C324 H300 B12 Mn6 N108 -","6","0.166667","","Oseback, Shannon N.; Shim, Sarah W.; Kumar, Mukesh; Greer, Samuel M.; Gardner, Sean R.; Lemar, Keisha M.; Degregory, Paul R.; Papish, Elizabeth T.; Tierney, David L.; Zeller, Matthias; Yap, Glenn P. A.","Crowded bis ligand complexes of Ttz(Ph,Me) with first row transition metals rearrange due to ligand field effects: structural and electronic characterization (Ttz(Ph,Me) = tris(3-phenyl-5-methyl-1,2,4-triazolyl)borate).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2774","2787","10.1039/c2dt12029a","","","0.71073","MoKα","","0.0504","0.0378","","","0.0935","0.1036","","","","","","1.069","","","","has coordinates","179886","2020-10-21","18:00:00","" "7018255","19.4789","0.0003","19.4789","0.0003","45.507","0.0012","90","","90","","120","","14953.3","0.5","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C57 H33 Mg3 N3 O13 -","- C57 H33 Mg3 N3 O13 -","- C342 H198 Mg18 N18 O78 -","6","0.166667","","Zhai, Quanguo; Lin, Qipu; Wu, Tao; Zheng, Shou-Tian; Bu, Xianhui; Feng, Pingyun","Induction of trimeric [Mg(3)(OH)(CO(2))(6)] in a porous framework by a desymmetrized tritopic ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2866","2868","10.1039/c2dt12215d","","","0.71073","MoKα","","0.0951","0.0772","","","0.2337","0.2446","","","","","","1.123","","","","has coordinates","179886","2020-10-21","18:00:00","" "7018674","8.334","0.0012","8.334","0.0012","22.893","0.005","90","","90","","120","","1377","0.4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H3 Mn N0.99 O6 -","- C30 H18 Mn6 N5.94 O36 -","6","0.166667","","Tan, Jin-Chong; Jain, Prashant; Cheetham, Anthony K.","Influence of ligand field stabilization energy on the elastic properties of multiferroic MOFs with the perovskite architecture.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3949","3952","10.1039/c2dt12300b","","","0.71073","MoKα","","0.0306","0.024","","","0.0586","0.06","","","","","","0.969","","","","has coordinates","179890","2020-10-21","18:00:00","" "7018675","8.1989","0.0012","8.1989","0.0012","22.224","0.004","90","","90","","120","","1293.8","0.4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Co N O6 -","- C5 H3 Co N0.99 O6 -","- C30 H18 Co6 N5.94 O36 -","6","0.166667","","Tan, Jin-Chong; Jain, Prashant; Cheetham, Anthony K.","Influence of ligand field stabilization energy on the elastic properties of multiferroic MOFs with the perovskite architecture.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3949","3952","10.1039/c2dt12300b","","","0.71073","MoKα","","0.0339","0.0247","","","0.0438","0.0448","","","","","","0.877","","","","has coordinates","179890","2020-10-21","18:00:00","" "7018676","8.1989","0.0012","8.1989","0.0012","22.224","0.004","90","","90","","120","","1293.8","0.4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 N Ni O6 -","- C5 H3 N0.99 Ni O6 -","- C30 H18 N5.94 Ni6 O36 -","6","0.166667","","Tan, Jin-Chong; Jain, Prashant; Cheetham, Anthony K.","Influence of ligand field stabilization energy on the elastic properties of multiferroic MOFs with the perovskite architecture.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3949","3952","10.1039/c2dt12300b","","","0.71073","MoKα","","0.0244","0.0199","","","0.0476","0.0482","","","","","","1.042","","","","has coordinates","179890","2020-10-21","18:00:00","" "7018677","8.1924","0.0008","8.192","","22.277","0.002","90","","90","","120","","1294.76","0.17","273","2","273","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 N O6 Zn -","- C5 H9 N0.99 O6 Zn -","- C30 H54 N5.94 O36 Zn6 -","6","0.166667","","Tan, Jin-Chong; Jain, Prashant; Cheetham, Anthony K.","Influence of ligand field stabilization energy on the elastic properties of multiferroic MOFs with the perovskite architecture.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3949","3952","10.1039/c2dt12300b","","","0.71073","MoKα","","0.0277","0.0236","","","0.0581","0.0602","","","","","","1.145","","","","has coordinates","179890","2020-10-21","18:00:00","" "7018786","19.8537","0.0008","19.8537","0.0008","67.448","0.005","90","","90","","120","","23024","2","173","1","173","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C25 H37 N2 O4 V -","- C25 H37 N2 O4 V -","- C900 H1332 N72 O144 V36 -","36","1","","Reytman, Lilia; Braitbard, Ori; Tshuva, Edit Y.","Highly cytotoxic vanadium(v) complexes of salan ligands; insights on the role of hydrolysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5241","5247","10.1039/c2dt11514j","","","0.71073","MoKα","","0.1314","0.1157","","","0.1853","0.1915","","","","","","1.392","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00","" "7019049","25.626","0.007","25.626","0.007","85.61","0.03","90","","90","","120","","48687","3","113","2","113","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C266.5 H195 Cl29 Cu12 N96 O84 -","- C252 H144 Cu12 N96 O72 -","- C1512 H864 Cu72 N576 O432 -","6","0.166667","","Zhao, Qiang; Liu, Xiu-Ming; Song, Wei-Chao; Bu, Xian-He","Valence-induced assembly of Cu(I)-Cu(II) ions into different discrete coordination architectures by a disk-shaped polypyridyl ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6683","6688","10.1039/c2dt00002d","","","0.71073","MoKα","","0.086","0.0784","","","0.1696","0.1737","","","","","","1.201","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7019074","13.2385","0.0005","13.2385","0.0005","46.3808","0.0019","90","","90","","120","","7039.6","0.5","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C2 H4.67 Al1.17 Mg0.33 N0.33 O6 P1.5 -","- C2 Al1.17 Mg0.33 N0.333333 O6 P1.5 -","- C72 Al42.12 Mg11.88 N12 O216 P54 -","36","1","","Wang, Yanyan; Shao, Lang; Li, Yi; Li, Xu; Li, Jiyang; Yu, Jihong; Xu, Ruren","LEV-zeotype magnesium aluminophosphates with variable Mg/Al ratios.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6855","6860","10.1039/c2dt12106a","","","0.71073","MoKα","","0.0644","0.0523","","","0.1674","0.1829","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00","" "7019075","13.2577","0.0004","13.2577","0.0004","45.677","0.003","90","","90","","120","","6952.9","0.5","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Al1.07 Mg0.43 O6 P1.5 -","- Al1.065 Mg0.435 O6 P1.5 -","- Al38.34 Mg15.66 O216 P54 -","36","1","","Wang, Yanyan; Shao, Lang; Li, Yi; Li, Xu; Li, Jiyang; Yu, Jihong; Xu, Ruren","LEV-zeotype magnesium aluminophosphates with variable Mg/Al ratios.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6855","6860","10.1039/c2dt12106a","","","0.71073","MoKα","","0.0594","0.0502","","","0.1513","0.1583","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00","" "7019219","18.316","0.01","18.316","0.009","42.269","0.01","90","","90","","120","","12280","9","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C26 H22 Mo2 N6 O4 -","- C26 H22 Mo2 N6 O4 -","- C468 H396 Mo36 N108 O72 -","18","0.5","","Arroyo, Marta; Miguel, Daniel; Villafañe, Fernando; Alegria, Elisabete C. B.; Pombeiro, Armando J. L.","Molybdenum- and tungsten(ii) monometallic 3-(2-pyridyl)pyrazole and bimetallic 3-(2-pyridyl)pyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7017","7025","10.1039/c2dt12388f","","","0.71073","MoKα","","0.0983","0.0573","","","0.1658","0.191","","","","","","1.14","","","","has coordinates","179896","2020-10-21","18:00:00","" "7019332","26.5317","0.0004","26.5317","0.0004","101.306","0.002","90","","90","","120","","61758.4","1.8","100","","100","","","","","","","","K.Mason","7","R -3 c :H","-R 3 2""c","167","","","","- C111 H195 B3 F12 Fe6 N12 O33 -","- C102 H169 B2.66667 F10.6667 Fe6 N12 O24 -","- C1836 H3042 B48 F192 Fe108 N216 O432 -","18","0.5","","Mason, Kevin; Chang, John; Prescimone, Alessandro; Garlatti, Elena; Carretta, Stefano; Tasker, Peter A.; Brechin, Euan K.","Linking [M(III)(3)] triangles with ""double-headed"" phenolic oximes.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8777","8785","10.1039/c2dt30189j","","","1.5418","CuKα","","0.1564","0.1468","","0.192","0.1769","0.1769","","","","","","1.0511","","","","has coordinates,has disorder","179897","2020-10-21","18:00:00","" "7019421","11.5603","0.0002","11.5603","0.0002","53.0233","0.0019","90","","90","","120","","6136.7","0.3","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","bis-(1,3,5-tri(1,2,4-triazol-4-yl)adamantane)cadmium(ii) Nitrate Hexahydrate","bis-[1,3,5-tri(1,2,4-triazol-4-yl)adamantane]cadmium(II) Nitrate Hexahydrate","","- C32 H50 Cd N20 O12 -","- C32 H38 Cd N19.9998 O11.9994 -","- C192 H228 Cd6 N119.999 O71.9964 -","6","0.166667","","Senchyk, Ganna A.; Lysenko, Andrey B.; Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4-Triazole functionalized adamantanes: a new library of polydentate tectons for designing structures of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8675","8689","10.1039/c2dt30362k","","","0.71073","MoKα","","0.039","0.0304","","","0.0779","0.0818","","","","","","1.092","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03","" "7019422","11.3552","0.0011","11.3552","0.0011","54.979","0.003","90","","90","","120","","6139.3","0.9","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","bis-[1,3,5-tri(1,2,4-triazol-4-yl)adamantane]cadmium(II) Tetrachlorocadmate(II) Trihydrate","","- C32 H44 Cd2 Cl4 N18 O3 -","- C32 H44 Cd2 Cl4 N18 O3 -","- C192 H264 Cd12 Cl24 N108 O18 -","6","0.166667","","Senchyk, Ganna A.; Lysenko, Andrey B.; Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4-Triazole functionalized adamantanes: a new library of polydentate tectons for designing structures of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8675","8689","10.1039/c2dt30362k","","","0.71073","MoKα","","0.0773","0.044","","","0.1088","0.1223","","","","","","1.053","","","","has coordinates","288505","2023-12-22","15:12:03","" "7019424","11.4936","0.0008","11.4936","0.0008","57.216","0.002","90","","90","","120","","6545.8","0.7","213","2","213","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","bis-[3,5,7-tri(1,2,4-triazol-4-yl)-1-azaadamantane]cadmium(II) Tetraiodocadmate(II) Trihydrate","","- C30 H42 Cd2 I4 N20 O3 -","- C30 H42 Cd2 I4 N20 O3 -","- C180 H252 Cd12 I24 N120 O18 -","6","0.166667","","Senchyk, Ganna A.; Lysenko, Andrey B.; Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4-Triazole functionalized adamantanes: a new library of polydentate tectons for designing structures of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8675","8689","10.1039/c2dt30362k","","","0.71073","MoKα","","0.0608","0.0455","","","0.1187","0.1245","","","","","","1.062","","","","has coordinates","288505","2023-12-22","15:12:03","" "7020139","4.9869","0.0005","4.9869","","17.0335","0.0026","90","","90","","120","","366.86","0.07","298","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","CaCO3","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nielsen, Renie Birkedal; Norby, Poul; Kongshaug, Kjell Ove; Fjellvåg, Helmer","Synthesis, crystal structure and thermal properties of Ca6(C12H14O4)4(CO3)(OH)2(H2O)x‒a 3D inorganic hybrid material.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12082","12089","10.1039/c2dt30651d","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179905","2020-10-21","18:00:00","" "7021043","17.941","0.0006","17.941","0.0006","57.79","0.005","90","","90","","120","","16109.3","1.6","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H138 Mn3 N2 Nd4 O33 -","- C72 H132 Mn3 N2 Nd4 O33 -","- C432 H792 Mn18 N12 Nd24 O198 -","6","0.166667","","Liu, Jinying; Ma, Chengbing; Chen, Hui; Hu, Mingqiang; Wen, Huimin; Cui, Honghua; Chen, Changneng","The first heterometallic examples of 3d-4f heptanuclear [Mn(II)(3)Ln(III)(4)] complexes with planar disc-like cores and diverse magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3787","3790","10.1039/c3dt32985b","","","0.71073","MoKα","","0.0497","0.0453","","","0.1365","0.1429","","","","","","1.068","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00","" "7021093","16.425","0.0005","16.425","0.0005","58.768","0.003","90","","90","","120","","13730.4","0.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","iron and chromium etyl alkoxide","bis(m4-2-(oxymethyl)-2-ethylpropane-1,3-diolato)-hexakis(dipivaloylmethanato)-chromium(III)-tri-iron(III) dimethoxyethane solvate","","- C78 H136 Cr Fe3 O18 -","- C77.98 H135.9 Cr Fe3 O18 -","- C467.88 H815.4 Cr6 Fe18 O108 -","6","0.166667","","Totaro, Pasquale; Westrup, Kátia Cristina M; Boulon, Marie-Emmanuelle; Nunes, Giovana G.; Back, Davi F.; Barison, Andersson; Ciattini, Samuele; Mannini, Matteo; Sorace, Lorenzo; Soares, Jaísa F; Cornia, Andrea; Sessoli, Roberta","A new approach to the synthesis of heteronuclear propeller-like single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4416","4426","10.1039/c2dt32618c","","","0.71073","MoKα","","0.1411","0.066","","","0.1704","0.2245","","","","","","1.02","","","","has coordinates","179915","2020-10-21","18:00:00","" "7022027","4.9915","0.0011","4.9915","","17.088","0.005","90","","90","","120","","368.71","0.14","298","","298","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","Calcium Carbonate","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Tyutyunnik, Alexander P.; Slobodin, Boris V.; Samigullina, Rina F.; Verberck, Bart; Tarakina, Nadezda V.","K2CaV2O7: a pyrovanadate with a new layered type of structure in the A2BV2O7 family.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1057","1064","10.1039/c2dt31246h","powder diffraction","","1.54056","","","","","","","","","","","","","","","","","","has coordinates","179925","2020-10-21","18:00:00","" "7022543","21.738","0.003","21.738","0.003","40.897","0.008","90","","90","","120","","16736","5","173","2","173","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C114 H180 O12 Sr3 -","- C114 H180 O12 Sr3 -","- C684 H1080 O72 Sr18 -","6","0.166667","","Clark, Lawrence; Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Mountford, Philip; Townley, Josh P.; Wang, Jun","Synthesis and structures of calcium and strontium 2,4-di-tert-butylphenolates and their reactivity towards the amine co-initiated ring-opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9294","9312","10.1039/c3dt00065f","","","0.71073","Synchrotron","","0.0539","0.0521","","","0.1238","0.125","","","","","","1.101","","","","has coordinates","179930","2020-10-21","18:00:00","" "7023990","18.798","0.004","18.798","0.004","40.774","0.008","90","","90","","120","","12478","4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C66 H105 I3 P6 Pt3 -","- C66 H105 I3 P6 Pt3 -","- C396 H630 I18 P36 Pt18 -","6","0.166667","","Samanta, Dipak; Mukherjee, Partha Sarathi","Pt(II)6 nanoscopic cages with an organometallic backbone as sensors for picric acid.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16784","16795","10.1039/c3dt52268g","","","0.71073","MoKα","","0.0608","0.044","","","0.1014","0.1069","","","","","","1.089","","","","has coordinates","179944","2020-10-21","18:00:00","" "7024552","13.9305","0.0003","13.9305","0.0003","43.3326","0.0018","90","","90","","120","","7282.5","0.4","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C54 H50 B2 N18 Zn -","- C54 H50 B2 N18 Zn -","- C324 H300 B12 N108 Zn6 -","6","0.166667","","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias; Hunter, Allen D.","New alkylzinc complexes with bulky tris(triazolyl)borate ligands: surprising water stability and reactivity.","Dalton transactions (Cambridge, England : 2003)","2010","39","1","59","61","10.1039/b918328k","","","0.71073","MoKα","","0.0331","0.0297","","","0.0806","0.0834","","","","","","1.06","","","","has coordinates","179950","2020-10-21","18:00:00","" "7024647","19.0438","0.0005","19.0438","0.0005","42.1236","0.0013","90","","90","","120","","13230.1","0.6","150","","150","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C26 H24 Cu N4 O5 -","- C26 H24 Cu N4 O5 -","- C468 H432 Cu18 N72 O90 -","18","0.5","","Du, Yi; Thompson, Amber L.; Russell, Nicola; O'Hare, Dermot","Resin-assisted solvothermal synthesis of transition metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2010","39","14","3384","3395","10.1039/b919675g","","","0.71073","MoKα","","0.0866","0.0555","","0.1585","0.1419","0.1564","","","","","","0.9301","","","","has coordinates","176453","2020-10-21","18:00:00","" "7024812","25.514","0.004","25.514","0.002","30.429","0.002","90","","90","","120","","17154","3","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C19 H20 Cl2 N O4 Ti0.5 -","- C19 H20 Cl2 N O4 Ti0.5 -","- C684 H720 Cl72 N36 O144 Ti18 -","36","1","","Panda, Manas K.; Shaikh, Mobin M.; Ghosh, Prasenjit","Controlled oxidation of organic sulfides to sulfoxides under ambient conditions by a series of titanium isopropoxide complexes using environmentally benign H2O2 as an oxidant.","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2428","2440","10.1039/b921720g","","","0.71073","MoKα","","0.1029","0.0853","","","0.202","0.2152","","","","","","1.127","","","","has coordinates","176453","2020-10-21","18:00:00","" "7025021","27.8777","0.0016","27.8777","0.0016","21.369","0.0013","90","","90","","120","","14382.3","1.5","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C72 H118 Cl3 Cu6 Fe N18 O32 -","- C72 H90 Cl3 Cu6 Fe N18 O32 -","- C432 H540 Cl18 Cu36 Fe6 N108 O192 -","6","0.166667","","Maxim, Catalin; Sorace, Lorenzo; Khuntia, Panchanana; Madalan, Augustin M.; Kravtsov, Victor; Lascialfari, Alessandro; Caneschi, Andrea; Journaux, Yves; Andruh, Marius","A missing high-spin molecule in the family of cyanido-bridged heptanuclear heterometal complexes, [(LCuII)6FeIII(CN)6]3+, and its CoIII and CrIII analogues, accompanied in the crystal by a novel octameric water cluster","Dalton Transactions","2010","39","20","4838","","10.1039/b924505g","","","0.71073","MoKα","","0.0959","0.0573","","","0.1488","0.1701","","","","","","1.003","","","","has coordinates","179955","2020-10-21","18:00:00","" "7025022","27.9545","0.0019","27.9545","0.0019","21.3938","0.0016","90","","90","","120","","14478.4","1.8","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C72 H118 Cl3 Co Cu6 N18 O32 -","- C72 H90 Cl3 Co Cu6 N18 O32 -","- C432 H540 Cl18 Co6 Cu36 N108 O192 -","6","0.166667","","Maxim, Catalin; Sorace, Lorenzo; Khuntia, Panchanana; Madalan, Augustin M.; Kravtsov, Victor; Lascialfari, Alessandro; Caneschi, Andrea; Journaux, Yves; Andruh, Marius","A missing high-spin molecule in the family of cyanido-bridged heptanuclear heterometal complexes, [(LCuII)6FeIII(CN)6]3+, and its CoIII and CrIII analogues, accompanied in the crystal by a novel octameric water cluster","Dalton Transactions","2010","39","20","4838","","10.1039/b924505g","","","0.71073","MoKα","","0.1266","0.0623","","","0.0993","0.1166","","","","","","1.056","","","","has coordinates","179955","2020-10-21","18:00:00","" "7025023","28.1","0.002","28.1","0.002","21.656","0.002","90","","90","","120","","14809","2","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C72 H118 Cl3 Cr Cu6 N18 O32 -","- C72 H90 Cl3 Cr Cu6 N18 O32 -","- C432 H540 Cl18 Cr6 Cu36 N108 O192 -","6","0.166667","","Maxim, Catalin; Sorace, Lorenzo; Khuntia, Panchanana; Madalan, Augustin M.; Kravtsov, Victor; Lascialfari, Alessandro; Caneschi, Andrea; Journaux, Yves; Andruh, Marius","A missing high-spin molecule in the family of cyanido-bridged heptanuclear heterometal complexes, [(LCuII)6FeIII(CN)6]3+, and its CoIII and CrIII analogues, accompanied in the crystal by a novel octameric water cluster","Dalton Transactions","2010","39","20","4838","","10.1039/b924505g","","","0.71073","MoKα","","0.1529","0.0568","","","0.088","0.1097","","","","","","0.981","","","","has coordinates","179955","2020-10-21","18:00:00","" "7025619","14.5854","0.0004","14.5854","0.0004","54.524","0.004","90","","90","","120","","10045.1","0.8","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C57 H78 Ce2 N12 O24 -","- C51 H42 Ce2 N12 O12 -","- C306 H252 Ce12 N72 O72 -","6","0.166667","","Zhu, Xiang; He, Cheng; Dong, Dapeng; Liu, Yang; Duan, Chunying","Cerium-based triple-stranded helicates as luminescent chemosensors for the selective sensing of magnesium ions.","Dalton transactions (Cambridge, England : 2003)","2010","39","42","10051","10055","10.1039/c002278k","","","0.71073","MoKα","","0.0971","0.0536","","","0.1585","0.1898","","","","","","1.116","","","","has coordinates","198633","2020-10-21","18:00:00","" "7026428","25.591","0.004","25.591","0.004","29.747","0.006","90","","90","","120","","16871","5","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C36 H38 Cl6 N2 O4 Ti -","- C36 H38 Cl6 N2 O4 Ti -","- C648 H684 Cl108 N36 O72 Ti18 -","18","0.5","","Panda, Manas K.; Kaur, Sukhdeep; Reddy, Annapureddy Rajasekhar; Shaikh, Mobin M.; Butcher, Ray J.; Gupta, Virendrakumar; Ghosh, Prasenjit","Titanium isopropoxide complexes of a series of sterically demanding aryloxo based [N2O2]2- ligands as precatalysts for ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","11060","11068","10.1039/c0dt00407c","","","0.71073","MoKα","","0.1305","0.0741","","","0.1939","0.2108","","","","","","0.959","","","","has coordinates","179970","2020-10-21","18:00:00","" "7026827","25.322","0.0018","25.322","0.0018","51.329","0.0018","90","","90","","120","","28503","3","150","2","150","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C60 H50.67 F20 Ir N6 O4.33 P3.33 -","- C60 H46 F20 Ir N6 O4.33333 P3.33333 -","- C1080 H828 F360 Ir18 N108 O78 P60 -","18","0.5","","Natrajan, Louise S.; Toulmin, Anita; Chew, Alex; Magennis, Steven W.","Two-photon luminescence from polar bis-terpyridyl-stilbene derivatives of Ir(III) and Ru(II).","Dalton transactions (Cambridge, England : 2003)","2010","39","45","10837","10846","10.1039/c0dt00750a","","","0.71073","MoKα","","0.2362","0.1076","","","0.2614","0.3626","","","","","","1.032","","","","has coordinates","179974","2020-10-21","18:00:00","" "7027548","18.0036","0.001","18.0036","0.001","105.495","0.006","90","","90","","120","","29613","3","160","2","160","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C84 H78 Cl20 P6 Pt3 S2 -","- C84 H78 Cl20 P6 Pt3 S2 -","- C1008 H936 Cl240 P72 Pt36 S24 -","12","0.333333","","Capdevila, Mercè; Carrasco, Yolanda; Clegg, William; Coxall, Robert A.; González-Duarte, Pilar; Lledós, Agustí; Antonio Ramírez, José; Ramírez, Antonio","Extending knowledge on the nucleophilicity of the {Pt2S2} core: Ph2PCH2CH2PPh2 as an alternative terminal ligand in [L2Pt(μ-S)2PtL2] metalloligands †","Journal of the Chemical Society, Dalton Transactions","1999","","17","3103","","10.1039/a903899j","","","0.71073","MoKα","","0.0421","0.0325","","0.0915","0.0787","","","","1.13","1.099","1.099","","","","","has coordinates,has disorder","179981","2020-10-21","18:00:00","" "7028069","14.873","0.002","14.873","0.002","34.872","0.007","90","","90","","120","","6680.4","1.8","291","2","291","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C3 H9.5 Br0.5 Cu N2 O3 -","- C3 H7 Br0.5 Cu N2 O3 -","- C108 H252 Br18 Cu36 N72 O108 -","36","1","","Chen, Zhong-Ning; Zhang, Hua-Xin; Yu, Kai-Bei; Zheng, Kang-Cheng; Cai, Hu; Kang, Bei-Sheng","Extended network via hydrogen bond linkages of zig-zag co-ordination chains [{Cu2(trans-oxen)(μ-OH)(μ-H2O)}n]n+ or [Cu2(trans-oxen)(μ-OCN)2]n [H2oxen = N,N′-bis(2-aminoethyl)oxamide]","Journal of the Chemical Society, Dalton Transactions","1998","","7","1133","","10.1039/a708615f","","","0.71073","MoKα","","0.0545","0.0349","","0.0866","0.082","","","","0.909","1.02","1.02","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7028537","9.2899","0.001","9.2899","0.001","49.248","0.003","90","","90","","120","","3680.8","0.6","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H24 Ag3 K N8 -","- C14 H23.94 Ag3 K N8 -","- C84 H143.64 Ag18 K6 N48 -","6","0.166667","","Liu, Xi; Li, Lin; Yang, Yun-Zhi; Huang, Kun-Lin","Doping potassium ions in silver cyanide complexes for green luminescence.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4086","4092","10.1039/c3dt53219d","","","0.71073","MoKα","","0.0665","0.0359","","","0.0707","0.085","","","","","","1.003","","","","has coordinates","179991","2020-10-21","18:00:00","" "7029596","14.9724","0.0003","14.9724","0.0003","80.713","0.003","90","","90","","120","","15669.6","0.7","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C84 H48 Cu8 Mo12 N12 O62 -","- C84 H48 Cu8 Mo12 N12 O62 -","- C504 H288 Cu48 Mo72 N72 O372 -","6","0.166667","","Qu, Zhi-Kun; Yu, Kai; Zhao, Zhi-Feng; Su, Zhan-Hua; Sha, Jing-Quan; Wang, Chun-Mei; Zhou, Bai-Bin","An organic-inorganic hybrid semiconductor material based on Lindqvist polyoxomolybdate and a tetra-nuclear copper complex containing two different ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6744","6751","10.1039/c3dt53345j","","","0.71073","MoKα","","0.0416","0.0287","","","0.0689","0.0753","","","","","","1.007","","","","has coordinates","180001","2020-10-21","18:00:00","" "7030018","22.157","0.006","22.157","0.006","22.197","0.006","90","","90","","120","","9437","4","298","2","298","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C42 H68 Ag6 N12 O7 Se6 -","- C42 H66 Ag6 N12 O7 Se6 -","- C252 H396 Ag36 N72 O42 Se36 -","6","0.166667","","Sharma, Rakesh K.; Wadawale, Amey; Kedarnath, G.; Manna, Debashree; Ghanty, Tapan K.; Vishwanadh, B.; Jain, Vimal K.","Synthesis, structures and DFT calculations of 2-(4,6-dimethyl pyrimidyl)selenolate complexes of Cu(i), Ag(i) and Au(i) and their conversion into metal selenide nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6525","6535","10.1039/c4dt00012a","","","0.71069","MoKα","","0.1536","0.0389","","","0.0713","0.0968","","","","","","0.928","","","","has coordinates","180006","2020-10-21","18:00:00","" "7030422","33.491","0.004","33.491","0.004","44.286","0.011","90","","90","","120","","43018","13","223","2","223","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C64 H85 F12 Mn N8 O10 P2 Ru -","- C64 H73 F12 Mn N8 O10 P2 Ru -","- C1152 H1314 F216 Mn18 N144 O180 P36 Ru18 -","18","0.5","","Guillo, Pascal; Hamelin, Olivier; Loiseau, Frédérique; Pécaut, Jacques; Ménage, Stéphane","Synthesis, electrochemical and photophysical properties of heterodinuclear Ru-Mn and Ru-Zn complexes bearing ambident Schiff base ligand.","Dalton transactions (Cambridge, England : 2003)","2010","39","24","5650","5657","10.1039/c003276j","","","0.71073","MoKα","","0.1307","0.0808","","","0.2349","0.2798","","","","","","1.135","","","","has coordinates","180010","2020-10-21","18:00:00","" "7030784","13.988","0.002","13.988","0.002","47.981","0.01","90","","90","","120","","8130","2","298","2","298","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C48 H32 Co2 N24 O9 Zn5 -","- C48 H31.98 Co2.03 N24 O8.98 Zn4.97 -","- C288 H191.88 Co12.18 N144 O53.88 Zn29.82 -","6","0.166667","","Li, Yun-Wu; Liu, Sui-Jun; Hu, Tong-Liang; Bu, Xian-He","Doping cobalt into a [Zn7] cluster-based MOF to tune magnetic behaviour and induce fluorescence signal mutation.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11470","11473","10.1039/c4dt00894d","","","0.71073","MoKα","","0.0444","0.0382","","","0.0759","0.0783","","","","","","1.096","","","","has coordinates,has disorder","180013","2020-10-21","18:00:00","" "7030863","31.553","0.003","31.553","0.003","25.58","0.005","90","","90","","120","","22055","5","194","2","194","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C36 H32 F12 N6 O2 P2 Ru -","- C36 H32 F12 N6 O2 P2 Ru -","- C648 H576 F216 N108 O36 P36 Ru18 -","18","0.5","","Li, Mei-Jin; Lin, Zhihong; Chen, Xiudan; Chen, Guonan","Colorimetric and luminescent bifunctional Ru(ii) complexes for rapid and highly sensitive recognition of cyanide.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11745","11751","10.1039/c4dt00231h","","","0.8","","","0.0936","0.0775","","","0.2472","0.2637","","","","","","1.103","","","","has coordinates","180014","2020-10-21","18:00:00","" "7031118","19.619","0.0005","19.619","0.0005","81.338","0.003","90","","90","","120","","27113","1.4","180","2","180","2","","","","","","","synthesis as described","7","R -3 c :H","-R 3 2""c","167","","","","- C162 H132 B4 Ca2 F84 N24 O12 -","- C162 H132 B4 Ca2 F84 N24 O12 -","- C972 H792 B24 Ca12 F504 N144 O72 -","6","0.166667","","Romero, Nuria; Vendier, Laure; Dinoi, Chiara; Etienne, Michel","Highly fluorinated hydrotris(indazolyl)borate calcium complexes: the structure and reactivity heavily depend on the ligand's electronic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10114","10119","10.1039/c4dt00884g","","x-ray","1.54184","CuKα","","0.0664","0.0527","","","0.134","0.1472","","","","","","1.025","","","","has coordinates","180017","2020-10-21","18:00:00","" "7031957","18.772","0.003","18.772","0.003","84.147","0.017","90","","90","","120","","25680","8","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C56 H48 N8 O15 Zn2 -","- C56 H48 N8 O15 Zn2 -","- C1008 H864 N144 O270 Zn36 -","18","0.5","","Wang, Yue; Qi, Yan; Blatov, Vladislav A.; Zheng, Jimin; Li, Qun; Zhang, Chao","Two new zinc(ii) coordination complexes with helix characteristics showing both interpenetration and self-catenation features: a platform for the synthesis of chiral and catenated structures assembled by length-modulated dicarboxylates.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15151","15158","10.1039/c4dt01431f","","","0.71073","MoKα","","0.1924","0.0902","","","0.1992","0.2445","","","","","","1.024","","","","has coordinates","180025","2020-10-21","18:00:00","" "7031994","25.036","0.0004","25.036","0.0004","35.764","0.001","90","","90","","120","","19413.6","0.7","223","2","223","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C63 H21 B3 F45 P3 -","- C63 H21 B3 F45 P3 -","- C756 H252 B36 F540 P36 -","12","0.333333","","Erdmann, Markus; Wiegand, Thomas; Blumenberg, Jonas; Eckert, Hellmut; Ren, Jinjun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation, structural characterization, and reactions of a unique cyclotrimeric vicinal Lewis pair containing (C6F5)2P-Lewis base and (C6F5)BH-Lewis acid components.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15159","15169","10.1039/c4dt02081b","","","1.54178","CuKα","","0.0518","0.0424","","","0.1088","0.1153","","","","","","1.03","","","","has coordinates","180025","2020-10-21","18:00:00","" "7032065","36.6284","0.0004","36.6284","0.0004","27.5127","0.0005","90","","90","","120","","31966.8","0.8","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C75 H56 Ag2 O9.22 P4 -","- C75 H56 Ag2 O9.2 P4 -","- C1350 H1008 Ag36 O165.6 P72 -","18","0.5","","Zhang, Jianyong; Yang, Qiuli; Zhu, Yixuan; Liu, Haoliang; Chi, Zhenguo; Su, Cheng-Yong","Tetraphenylethylene-based phosphine: tuneable emission and carbon dioxide fixation.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15785","15790","10.1039/c4dt01808g","","","1.54184","CuKα","","0.1345","0.1076","","","0.3131","0.3455","","","","","","1.357","","","","has coordinates","180026","2020-10-21","18:00:00","" "7032713","25.4174","0.0004","25.4174","0.0004","51.8599","0.0007","90","","90","","120","","29015.1","0.8","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C48 H42 F12 Fe2 N10 O16 S4 -","- C44 H36 F12 Fe2 N8 O16 S4 -","- C792 H648 F216 Fe36 N144 O288 S72 -","18","0.5","","Grau, Michaela; Kyriacou, Andrew; Cabedo Martinez, Fernando; de Wispelaere, Irene M.; White, Andrew J. P.; Britovsek, George J. P.","Unraveling the origins of catalyst degradation in non-heme iron-based alkane oxidation.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17108","17119","10.1039/c4dt02067g","","","0.71073","MoKα","","0.0581","0.0396","","","0.1111","0.1164","","","","","","0.981","","","","has coordinates","180033","2020-10-21","18:00:00","" "7032774","23.7147","0.0006","23.7147","0.0006","49.252","0.002","90","","90","","120","","23987.8","1.3","293","2","293","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C96 H66 N18 O58 Ru3 Si W12 Zn2 -","- C96 H66 N18 O58 Ru3 Si W12 Zn2 -","- C576 H396 N108 O348 Ru18 Si6 W72 Zn12 -","6","0.166667","","Wang, Lei; Liu, Jun-Feng; Yang, Weiting; Yi, Fei-Yan; Dang, Song; Sun, Zhong-Ming","A nanosized heterometallic {Zn2Ru3} coordination cage templated by various polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17244","17247","10.1039/c4dt02521k","","","0.71073","MoKα","","0.079","0.074","","","0.1768","0.1805","","","","","","1.139","","","","has coordinates","180033","2020-10-21","18:00:00","" "7032775","23.5835","0.001","23.5835","0.001","48.792","0.004","90","","90","","120","","23502","2","273","2","273","2","","","","","","","","9","R -3 c :H","-R 3 2""c","167","","","","- C96 H66 Mo11 N18 O58 P Ru3 V Zn2 -","- C96 H66 Mo11.412 N18 O58 P Ru3 V0.588 Zn2 -","- C576 H396 Mo68.472 N108 O348 P6 Ru18 V3.528 Zn12 -","6","0.166667","","Wang, Lei; Liu, Jun-Feng; Yang, Weiting; Yi, Fei-Yan; Dang, Song; Sun, Zhong-Ming","A nanosized heterometallic {Zn2Ru3} coordination cage templated by various polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17244","17247","10.1039/c4dt02521k","","","0.71073","MoKα","","0.0948","0.0568","","","0.1524","0.1681","","","","","","0.948","","","","has coordinates","180033","2020-10-21","18:00:00","" "7032776","23.695","0.0004","23.695","0.0004","48.661","0.001","90","","90","","120","","23660.6","0.7","293","2","293","2","","","","","","","","9","R -3 c :H","-R 3 2""c","167","","","","- C96 H66 Mo10 N18 O58 P Ru3 V2 Zn2 -","- C96 H66 Mo10.2 N18 O54.35 P Ru3 V1.8 Zn2 -","- C576 H396 Mo61.2 N108 O326.1 P6 Ru18 V10.8 Zn12 -","6","0.166667","","Wang, Lei; Liu, Jun-Feng; Yang, Weiting; Yi, Fei-Yan; Dang, Song; Sun, Zhong-Ming","A nanosized heterometallic {Zn2Ru3} coordination cage templated by various polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17244","17247","10.1039/c4dt02521k","","","1.54178","CuKα","","0.0593","0.0497","","","0.122","0.1266","","","","","","1.083","","","","has coordinates","180033","2020-10-21","18:00:00","" "7032777","23.6889","0.0003","23.6889","0.0003","48.707","0.0009","90","","90","","120","","23670.7","0.6","293","2","293","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C96 H66 Mo12 N18 O58 P Ru3 Zn2 -","- C96 H66 Mo12 N18 O58 P Ru3 Zn2 -","- C576 H396 Mo72 N108 O348 P6 Ru18 Zn12 -","6","0.166667","","Wang, Lei; Liu, Jun-Feng; Yang, Weiting; Yi, Fei-Yan; Dang, Song; Sun, Zhong-Ming","A nanosized heterometallic {Zn2Ru3} coordination cage templated by various polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17244","17247","10.1039/c4dt02521k","","","1.54178","CuKα","","0.0555","0.0515","","","0.1322","0.1354","","","","","","1.043","","","","has coordinates","180033","2020-10-21","18:00:00","" "7032919","18.546","0.003","18.546","0.003","29.647","0.006","90","","90","","120","","8831","3","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C47 H54 N12 Ni5 O7 S6 -","- C44 H35.94 N12 Ni5 O2 S6 -","- C264 H215.64 N72 Ni30 O12 S36 -","6","0.166667","","Han, Song-De; Miao, Xiao-Hong; Liu, Sui-Jun; Bu, Xian-He","A series of cobalt and nickel clusters based on thiol-containing ligands accompanied by in situ ligand formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","560","567","10.1039/c4dt03109a","","","0.71073","MoKα","","0.061","0.0548","","","0.1328","0.136","","","","","","1.22","","","","has coordinates","180035","2020-10-21","18:00:00","" "7036214","26.2088","0.0006","26.2088","0.0006","48.2544","0.0011","90","","90","","120","","28705.3","1.1","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C84 H87 N27 O12 Tb2 -","- C84 H87 N27 O12 Tb2 -","- C1008 H1044 N324 O144 Tb24 -","12","0.333333","","Gorczyński, Adam; Kubicki, Maciej; Pinkowicz, Dawid; Pełka, Robert; Patroniak, Violetta; Podgajny, Robert","The first example of erbium triple-stranded helicates displaying SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16833","16839","10.1039/c5dt02554k","","","1.5418","CuKα","","0.0626","0.0416","","","0.1388","0.1553","","","","","","1.14","","","","has coordinates","161121","2020-10-21","18:00:00","" "7036215","26.1377","0.0011","26.1377","0.0011","47.2565","0.0016","90","","90","","120","","27959.3","1.9","100","1","100","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C84 H87 Dy2 N27 O12 -","- C84 H87 Dy2 N27 O12 -","- C1008 H1044 Dy24 N324 O144 -","12","0.333333","","Gorczyński, Adam; Kubicki, Maciej; Pinkowicz, Dawid; Pełka, Robert; Patroniak, Violetta; Podgajny, Robert","The first example of erbium triple-stranded helicates displaying SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16833","16839","10.1039/c5dt02554k","","","0.71073","MoKα","","0.0892","0.042","","","0.0956","0.1064","","","","","","1.018","","","","has coordinates","161121","2020-10-21","18:00:00","" "7036216","26.1368","0.001","26.1368","0.001","48.15","0.002","90","","90","","120","","28486","1.9","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C84 H87 Ho2 N27 O12 -","- C84 H87 Ho2 N27 O12 -","- C1008 H1044 Ho24 N324 O144 -","12","0.333333","","Gorczyński, Adam; Kubicki, Maciej; Pinkowicz, Dawid; Pełka, Robert; Patroniak, Violetta; Podgajny, Robert","The first example of erbium triple-stranded helicates displaying SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16833","16839","10.1039/c5dt02554k","","","0.71073","MoKα","","0.1045","0.0408","","","0.0856","0.0975","","","","","","0.941","","","","has coordinates","161121","2020-10-21","18:00:00","" "7036217","26.121","0.0005","26.121","0.0005","47.7029","0.0013","90","","90","","120","","28187.4","1.1","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C84 H87 N27 O12 Tm2 -","- C84 H87 N27 O12 Tm2 -","- C1008 H1044 N324 O144 Tm24 -","12","0.333333","","Gorczyński, Adam; Kubicki, Maciej; Pinkowicz, Dawid; Pełka, Robert; Patroniak, Violetta; Podgajny, Robert","The first example of erbium triple-stranded helicates displaying SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16833","16839","10.1039/c5dt02554k","","","0.71073","MoKα","","0.0752","0.0426","","","0.137","0.1583","","","","","","1.106","","","","has coordinates","161121","2020-10-21","18:00:00","" "7036218","25.9543","0.0005","25.9543","0.0005","48.9988","0.0013","90","","90","","120","","28584.8","1.1","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C84 H87 N27 O12 Yb2 -","- C84 H87 N27 O12 Yb2 -","- C1008 H1044 N324 O144 Yb24 -","12","0.333333","","Gorczyński, Adam; Kubicki, Maciej; Pinkowicz, Dawid; Pełka, Robert; Patroniak, Violetta; Podgajny, Robert","The first example of erbium triple-stranded helicates displaying SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16833","16839","10.1039/c5dt02554k","","","0.71073","MoKα","","0.0845","0.0435","","","0.1009","0.1113","","","","","","1.432","","","","has coordinates","161121","2020-10-21","18:00:00","" "7036219","26.11","0.0007","26.11","0.0007","48.0953","0.0013","90","","90","","120","","28395.3","1.3","100","1","100","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C84 H87 Er2 N27 O12 -","- C84 H87 Er2 N27 O12 -","- C1008 H1044 Er24 N324 O144 -","12","0.333333","","Gorczyński, Adam; Kubicki, Maciej; Pinkowicz, Dawid; Pełka, Robert; Patroniak, Violetta; Podgajny, Robert","The first example of erbium triple-stranded helicates displaying SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16833","16839","10.1039/c5dt02554k","","","0.71073","MoKα","","0.0563","0.0392","","","0.1521","0.166","","","","","","1.286","","","","has coordinates","161121","2020-10-21","18:00:00","" "7036823","9.2335","0.0006","9.2335","0.0006","19.2916","0.001","90","","90","","120","","1424.4","0.15","150","","150","","","","","","","","not measured","5","R -3 c :H","-R 3 2""c","167","","guanidinium cadmium formate","","- C4 H9 Cd N3 O6 -","- C4 H9 Cd N3 O6 -","- C24 H54 Cd6 N18 O36 -","6","0.166667","","Collings, Ines E.; Hill, Joshua A.; Cairns, Andrew B.; Cooper, Richard I.; Thompson, Amber L.; Parker, Julia E.; Tang, Chiu C.; Goodwin, Andrew L.","Compositional dependence of anomalous thermal expansion in perovskite-like ABX3 formates.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4169","4178","10.1039/c5dt03263f","","","0.71073","MoKα","","0.0375","0.0298","","0.0836","0.0726","0.0836","","","","","","0.8987","","","","has coordinates","177799","2020-10-21","18:00:00","" "7036824","9.2172","0.0004","9.2172","0.0004","19.4982","0.0008","90","","90","","120","","1434.57","0.11","250","","250","","","","","","","","not measured","5","R -3 c :H","-R 3 2""c","167","","guanidinium cadmium formate","","- C4 H9 Cd N3 O6 -","- C4 H9 Cd N3 O6 -","- C24 H54 Cd6 N18 O36 -","6","0.166667","","Collings, Ines E.; Hill, Joshua A.; Cairns, Andrew B.; Cooper, Richard I.; Thompson, Amber L.; Parker, Julia E.; Tang, Chiu C.; Goodwin, Andrew L.","Compositional dependence of anomalous thermal expansion in perovskite-like ABX3 formates.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4169","4178","10.1039/c5dt03263f","","","0.71073","MoKα","","0.0242","0.0191","","0.0458","0.0415","0.0458","","","","","","1.0118","","","","has coordinates","177799","2020-10-21","18:00:00","" "7036825","9.2146","0.0003","9.2146","0.0003","19.6072","0.0008","90","","90","","120","","1441.78","0.09","300","","300","","","","","","","","not measured","5","R -3 c :H","-R 3 2""c","167","","guanidinium cadmium formate","","- C4 H9 Cd N3 O6 -","- C4 H9 Cd N3 O6 -","- C24 H54 Cd6 N18 O36 -","6","0.166667","","Collings, Ines E.; Hill, Joshua A.; Cairns, Andrew B.; Cooper, Richard I.; Thompson, Amber L.; Parker, Julia E.; Tang, Chiu C.; Goodwin, Andrew L.","Compositional dependence of anomalous thermal expansion in perovskite-like ABX3 formates.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4169","4178","10.1039/c5dt03263f","","","0.71073","MoKα","","0.0302","0.019","","0.048","0.0397","0.048","","","","","","0.8076","","","","has coordinates","177799","2020-10-21","18:00:00","" "7036826","9.1803","0.0004","9.1803","0.0004","19.8649","0.0009","90","","90","","120","","1449.88","0.11","450","","450","","","","","","","","not measured","5","R -3 c :H","-R 3 2""c","167","","guanidinium cadmium formate","","- C4 H9 Cd N3 O6 -","- C4 H9 Cd N3 O6 -","- C24 H54 Cd6 N18 O36 -","6","0.166667","","Collings, Ines E.; Hill, Joshua A.; Cairns, Andrew B.; Cooper, Richard I.; Thompson, Amber L.; Parker, Julia E.; Tang, Chiu C.; Goodwin, Andrew L.","Compositional dependence of anomalous thermal expansion in perovskite-like ABX3 formates.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4169","4178","10.1039/c5dt03263f","","","0.71073","MoKα","","0.0406","0.0209","","0.0476","0.0354","0.0476","","","","","","0.8139","","","","has coordinates","177799","2020-10-21","18:00:00","" "7036836","12.8635","0.0006","12.8635","","67.361","0.003","90","","90","","120","","9652.9","0.6","100","2","100","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","[Cu(PPh3)tpym]BF4","","- C34.5 H28.5 B Cl1.5 Cu F4 N3 P -","- C34.5 H28.5 B Cl1.5 Cu F3.9999 N3 P -","- C414 H342 B12 Cl18 Cu12 F47.9988 N36 P12 -","12","0.333333","","Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Yersin, Hartmut; Sundermeyer, Jörg","A new class of deep-blue emitting Cu(i) compounds - effects of counter ions on the emission behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20045","20055","10.1039/c5dt03065j","","","0.71069","MoKα","","0.0699","0.0383","","","0.0842","0.0958","","","","","","1.037","","","","has coordinates","176429","2020-10-21","18:00:00","" "7037234","28.81","0.003","28.81","0.003","16.9308","0.0019","90","","90","","120","","12170","2","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","dh_183","Complex 3-Mn","","- C54 H96 Cl5 Co3 Mn N24 O32 -","- C54 H96 Cl4.99836 Co3 Mn N24 O31.9934 -","- C324 H576 Cl29.9902 Co18 Mn6 N144 O191.961 -","6","0.166667","","Henckel, Danielle A.; Lin, Yuting F.; McCormick, Theresa M.; Kaminsky, Werner; Cossairt, Brandi M.","A doubly deprotonated diimine dioximate metalloligand as a synthon for multimetallic complex assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10068","10075","10.1039/c5dt03650j","","","0.71073","MoKα","","0.0851","0.0529","","","0.1252","0.1417","","","","","","1.065","","","","has coordinates,has disorder","185385","2020-10-21","18:00:00","" "7037235","28.981","0.003","28.981","0.003","16.838","0.004","90","","90","","120","","12248","3","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","dh_184","Complex 3-Cd","","- C54 H96 Cd Cl5 Co3 N24 O32 -","- C54 H96 Cd Cl5.0004 Co3 N24 O32.0016 -","- C324 H576 Cd6 Cl30.0024 Co18 N144 O192.01 -","6","0.166667","","Henckel, Danielle A.; Lin, Yuting F.; McCormick, Theresa M.; Kaminsky, Werner; Cossairt, Brandi M.","A doubly deprotonated diimine dioximate metalloligand as a synthon for multimetallic complex assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10068","10075","10.1039/c5dt03650j","","","0.71073","MoKα","","0.1306","0.0789","","","0.1311","0.1474","","","","","","1.19","","","","has coordinates,has disorder","185385","2020-10-21","18:00:00","" "7037236","28.732","0.003","28.732","0.003","17.5558","0.0016","90","","90","","120","","12551","2","292","2","292","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","dh_177","complex 3-Zn","","- C54 H96 Cl5 Co3 N24 O32 Zn -","- C54 H96 Cl5.0004 Co3 N24 O32.0016 Zn -","- C324 H576 Cl30.0024 Co18 N144 O192.01 Zn6 -","6","0.166667","","Henckel, Danielle A.; Lin, Yuting F.; McCormick, Theresa M.; Kaminsky, Werner; Cossairt, Brandi M.","A doubly deprotonated diimine dioximate metalloligand as a synthon for multimetallic complex assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10068","10075","10.1039/c5dt03650j","","","0.71073","MoKα","","0.0847","0.0442","","","0.1081","0.1394","","","","","","1.054","","","","has coordinates,has disorder","185385","2020-10-21","18:00:00","" "7037585","24.8612","0.0019","24.8612","0.0019","28.26","0.004","90","","90","","120","","15127","3","123","2","123","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","4,4',4'-nitrilotribenzoic thorium","","","- C63 H36 N3 O20 Th2 -","- C63 H36 N3 O20 Th2 -","- C378 H216 N18 O120 Th12 -","6","0.166667","","Li, Yuxiang; Weng, Zhehui; Wang, Yanlong; Chen, Lanhua; Sheng, Daopeng; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Surprising coordination for low-valent actinides resembling uranyl(vi) in thorium(iv) organic hybrid layered and framework structures based on a graphene-like (6,3) sheet topology.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","918","921","10.1039/c5dt04183j","","","0.71073","MoKα","","0.043","0.0242","","","0.0625","0.0711","","","","","","0.957","","","","has coordinates","176039","2020-10-21","18:00:00","" "7042040","23.635","0.006","23.635","0.006","34.987","0.013","90","","90","","120","","16926","9","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C54 H108 K3 N6 O18 Pd12 Sb21 -","- C54 H108 K3 N6 O18 Pd12 Sb21 -","- C324 H648 K18 N36 O108 Pd72 Sb126 -","6","0.166667","","Li, Zhenyu; Ruan, Huapeng; Wang, Lulu; Liu, Caiping; Xu, Li","Counterion-induced crystallization of intermetalloid Matryoshka clusters [Sb@Pd12@Sb20](3-,4).","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3453","3456","10.1039/c7dt00342k","","","0.71073","MoKα","","0.076","0.0739","","","0.1699","0.1718","","","","","","1.232","","","","has coordinates","195109","2020-10-21","18:00:00","" "7042091","16.5089","0.001","16.5089","0.001","45.518","0.006","90","","90","","120","","10743.6","1.7","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C44 H24 Mn3 N26 O6 -","- C43.9998 H24 Mn3 N26 O6 -","- C263.999 H144 Mn18 N156 O36 -","6","0.166667","","Hua, Carol; Ge, Jing-Yuan; Tuna, Floriana; Collison, David; Zuo, Jing-Lin; D'Alessandro, Deanna M","Redox state manipulation of a tris(p-tetrazolylphenyl)amine ligand and its Mn(2+) coordination frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2998","3007","10.1039/c6dt04719j","","","0.71073","MoKα","","0.0769","0.0623","","","0.1855","0.1965","","","","","","1.055","","","","has coordinates","193846","2020-10-21","18:00:00","" "7042092","16.465","0.0014","16.465","0.0014","47.04","0.004","90","","90","","120","","11043.9","1.6","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C60 H66 Mn3 N32 O6 -","- C60 H66 Mn3 N32 O6 -","- C360 H396 Mn18 N192 O36 -","6","0.166667","","Hua, Carol; Ge, Jing-Yuan; Tuna, Floriana; Collison, David; Zuo, Jing-Lin; D'Alessandro, Deanna M","Redox state manipulation of a tris(p-tetrazolylphenyl)amine ligand and its Mn(2+) coordination frameworks.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2998","3007","10.1039/c6dt04719j","","","0.71073","MoKα","","0.0827","0.0597","","","0.1962","0.2088","","","","","","1.051","","","","has coordinates","193846","2020-10-21","18:00:00","" "7042148","8.8311","0.0005","8.8311","0.0005","27.5396","0.0016","90","","90","","120","","1860.02","0.18","115","2","115","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C10 H20 B2 O4 -","- C10 H19.9992 B1.9998 O4.0002 -","- C60 H119.995 B11.9988 O24.0012 -","6","0.166667","","Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B.","B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3661","3680","10.1039/c7dt00334j","","","0.71073","MoKα","","0.0591","0.051","","","0.1239","0.1312","","","","","","1.055","","","","has coordinates","195114","2020-10-21","18:00:00","" "7042201","31.3107","0.0019","31.3107","0.0019","145.863","0.018","90","","90","","120","","123840","19","123","2","123","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C128 H149 N40 Ni4 O24 S12.5 -","- C128 H137 N40 Ni4 O24 S12.5 -","- C2304 H2466 N720 Ni72 O432 S225 -","18","0.5","","Yang, Lu; Zhao, Liang; Zhou, Zhen; He, Cheng; Sun, Hui; Duan, Chunying","A thiourea-functionalized metal-organic macrocycle for the catalysis of Michael additions and prominent size-selective effect.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4086","4092","10.1039/c6dt04299f","","","0.71073","MoKα","","0.2916","0.111","","","0.2549","0.2867","","","","","","0.936","","","","has coordinates","195129","2020-10-21","18:00:00","" "7043162","11.86978","0.00018","11.86978","0.00018","16.7977","0.0005","90","","90","","120","","2049.58","0.08","498","","498","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Triammine Calcium Dodecahydro-closo-dodecaborate","Triammine Calcium Dodecahydro-closo-dodecaborate","","- B12 Ca H21 N3 -","- B12 Ca H21 N3 -","- B72 Ca6 H126 N18 -","6","0.166667","","Hansen, Bjarne R. S.; Tumanov, Nikolay; Santoru, Antonio; Pistidda, Claudio; Bednarcik, Jozef; Klassen, Thomas; Dornheim, Martin; Filinchuk, Yaroslav; Jensen, Torben Rene R.","Synthesis, structures and thermal decomposition of ammine MxB12H12 complexes (M = Li, Na, Ca)","Dalton Trans.","2017","","","","","10.1039/C7DT01414G","powder diffraction","","0.775","synchrotron","","","","","","","","","9.0973","1.78","","","","","","","has coordinates","197060","2020-10-21","18:00:00","" "7043259","13.9","0.0005","13.9","0.0005","45.029","0.0014","90","","90","","120","","7534.5","0.4","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C24 H30 Cl2 N6 O4 Zn -","- C24 H30 Cl2 N6 O4 Zn -","- C288 H360 Cl24 N72 O48 Zn12 -","12","0.333333","","Matyuska, Ferenc; Szorcsik, Attila; Nagy, Nora V.; Dancs, Ágnes; Kováts, Éva; Benyei, Attila; Gajda, Tamás","Tailoring the local environment around metal ions: solution chemical and structural study of some multidentate tripodal ligands","Dalton Trans.","2017","","","","","10.1039/C7DT00104E","","","0.71073","MoKα","","0.0595","0.0531","","","0.1697","0.1812","","","","","","1.148","","","","has coordinates","197591","2020-10-21","18:00:00","" "7044296","11.3897","0.0008","11.3897","0.0008","15.1197","0.0012","90","","90","","120","","1698.6","0.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","trilithium potassium iron(II) trioxalate","","- C6 Fe K Li3 O12 -","- C6 Fe K Li3 O12 -","- C36 Fe6 K6 Li18 O72 -","6","0.166667","","Yao, Wenjiao; Guo, Yuanyuan; Lightfoot, Philip","KLi3Fe(C2O4)3: a perovskite-like compound with 1:3 ordering at both A and B sites","Dalton Trans.","2017","","","","","10.1039/C7DT03468G","","","0.71075","MoKα","","0.0449","0.0269","","","0.0797","0.1052","","","","","","0.807","","","","has coordinates","201097","2020-10-21","18:00:00","" "7044614","26.08","0.0017","26.08","0.0017","28.279","0.002","90","","90","","120","","16657.5","1.9","150","2","150","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C24 H25 Br2 F6 N2 O11.5 Pd2 -","- C20 H14 Br2 F6 N2 O6 Pd2 -","- C360 H252 Br36 F108 N36 O108 Pd36 -","18","0.5","","Váňa, Jiří; Lang, Jan; Šoltésová, Mária; Hanusek, Jiri; Růžička, Aleš; Sedlák, Miloš; Roithova, Jana","The Role of Trinuclear Species in Palladium Acetate/Trifluoroacetic Acid Catalytic System","Dalton Transactions","2017","","","","","10.1039/C7DT03832A","","","0.71073","MoKα","","0.0762","0.0473","","","0.1071","0.1218","","","","","","1.033","","","","has coordinates","202511","2020-10-21","18:00:00","" "7045424","10","5","10","5","73","73","90","","90","","120","","6322","8","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H81 Cl13 Mn2 N16 -","- C24 H81 Cl13 Mn2 N16 -","- C144 H486 Cl78 Mn12 N96 -","6","0.166667","","Zhu, Xiao; Zhang, Wan-Ying; Chen, Cheng; Ye, Qiong; Fu, Da-Wei","Challenge in optoelectronic duplex switches: a red emission large-size single crystal and a unidirectional flexible thin film of a hybrid multifunctional material.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2344","2351","10.1039/c7dt04489e","","","0.71073","MoKα","","0.0917","0.0894","","","0.2574","0.2587","","","","","","1.373","","","","has coordinates,has disorder","229794","2020-10-21","18:00:00","" "7045425","9.6566","0.0007","9.6566","0.0007","72.509","0.002","90","","90","","120","","5855.6","0.6","103","2","103","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H0.67 Cl13 Mn2 N16 -","- C24 Cl13 Mn2 N16 -","- C144 Cl78 Mn12 N96 -","6","0.166667","","Zhu, Xiao; Zhang, Wan-Ying; Chen, Cheng; Ye, Qiong; Fu, Da-Wei","Challenge in optoelectronic duplex switches: a red emission large-size single crystal and a unidirectional flexible thin film of a hybrid multifunctional material.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2344","2351","10.1039/c7dt04489e","","","0.71073","MoKα","","0.1101","0.0973","","","0.3304","0.3433","","","","","","1.113","","","","has coordinates","229794","2020-10-21","18:00:00","" "7045610","14.9781","0.0005","14.9781","0.0005","96.166","0.003","90","","90","","120","","18683.8","1.1","200","1","200","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C20 H21 I N3 O2.5 -","- C20 H21 I1.00003 N3 O2.5 -","- C720 H756 I36.0012 N108 O90 -","36","1","","Lanoë, Pierre-Henri; Chan, Jonny; Groué, Antoine; Gontard, Geoffrey; Jutand, Anny; Rager, Marie-Noelle; Armaroli, Nicola; Monti, Filippo; Barbieri, Andrea; Amouri, Hani","Cyclometalated N-heterocyclic carbene iridium(iii) complexes with naphthalimide chromophores: a novel class of phosphorescent heteroleptic compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3440","3451","10.1039/c7dt04369d","","","0.71073","MoKα","","0.0685","0.046","","","0.111","0.1245","","","","","","1.08","","","","has coordinates,has disorder","229250","2020-10-21","18:00:00","" "7046985","16.3798","0.0003","16.3798","0.0003","50.2781","0.0005","90","","90","","120","","11682.3","0.3","120","0.1","120","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C6 H24 Mo12 N3 O40.343 P -","- C6 H24 Mo12 N3 O40.345 P -","- C72 H288 Mo144 N36 O484.14 P12 -","12","0.333333","","Harchani, Ali; Kučeráková, Monika; Dušek, Michal; Haddad, Amor","Structures, electronic properties, reactivity and dynamic studies of three new polyoxometalate compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10965","10975","10.1039/c8dt02205d","","x-ray","0.71073","MoKα","","0.0208","0.0163","","","0.0483","0.0496","","","","1.7","1.7","1.64","","","","has coordinates","229361","2020-10-21","18:00:00","" "7050818","24.03","0.015","24.03","0.015","12.815","0.014","90","","90","","120","","6409","9","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C36 H38 Cl3 Er N6 O19 -","- C36 H24 Cl3 Er N6 O19 -","- C216 H144 Cl18 Er6 N36 O114 -","6","0.166667","","Lu, Wen-Jie; Zhang, Lin-Ping; Song, Hai-Bin; Wang, Quan-Ming; Mak, Thomas C. W.","Novel lanthanide(iii) coordination networks based on 1,2-bis(4-pyridyl)ethane-N,N'-dioxide and trans-1,2-bis(4-pyridyl)ethene-N,N'-dioxide","New Journal of Chemistry","2002","26","6","775","781","10.1039/b111660f","","","0.71073","MoKα","","0.0947","0.0568","","","0.1565","0.1844","","","","","","1.061","","","","has coordinates","180062","2020-10-21","18:00:00","" "7050819","23.9937","0.0011","23.9937","0.0011","12.8101","0.0008","90","","90","","120","","6386.7","0.6","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C36 H38 Cl3 N6 O19 Yb -","- C72 H48 Cl6 N12 O38 Yb2 -","- C216 H144 Cl18 N36 O114 Yb6 -","3","0.0833333","","Lu, Wen-Jie; Zhang, Lin-Ping; Song, Hai-Bin; Wang, Quan-Ming; Mak, Thomas C. W.","Novel lanthanide(iii) coordination networks based on 1,2-bis(4-pyridyl)ethane-N,N'-dioxide and trans-1,2-bis(4-pyridyl)ethene-N,N'-dioxide","New Journal of Chemistry","2002","26","6","775","781","10.1039/b111660f","","","0.71073","MoKα","","0.0889","0.0549","","","0.1595","0.1863","","","","","","1.056","","","","has coordinates","180062","2020-10-21","18:00:00","" "7051314","29.171","0.003","29.171","0.003","19.702","0.003","90","","90","","120","","14519","3","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C28 H34 Fe2 N6 O S2 Zn -","- C28 H34 Fe2 N6 O S2 Zn -","- C504 H612 Fe36 N108 O18 S36 Zn18 -","18","0.5","","Fang Chen-jie; Duan Chun-ying; He Cheng; Han Gang; Meng Qing-jin","A supramolecular analog of cyclohexane sustained by aromatic C‒H···π interactions between ferrocene moieties: molecular packing of ferrocene-containing thiosemicarbazato metal complexes","New J. Chem.","2000","24","9","697","701","10.1039/b002590i","","","0.71073","MoKα","","0.1339","0.0707","","","0.1622","0.1933","","","","","","1.042","","","","has coordinates,has disorder","180067","2020-10-21","18:00:00","" "7052285","32.197","0.005","32.197","0.005","71.112","0.014","90","","90","","120","","63842","19","153","2","153","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C92 H90 Co N6 Na O45 S8 Yb0.33 -","- C92 H56 Co N6 Na O44.94 S8 Yb0.333333 -","- C1656 H1008 Co18 N108 Na18 O808.92 S144 Yb6 -","18","0.5","","Smith, Christopher B.; Barbour, Leonard J.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Unlocking the elusive binding cavity in p-sulfonatocalix[8]arene","New Journal of Chemistry","2006","30","7","991","","10.1039/b604513h","","","0.71073","MoKα","","0.3762","0.1801","","","0.4213","0.5215","","","","","","1.178","","","","has coordinates,has disorder","180076","2020-10-21","18:00:00","" "7053098","16.6808","0.0008","16.6808","0.0008","52.257","0.005","90","","90","","120","","12592.4","1.5","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C15 H58 Mn N4 O24 P6 -","- C15 H58 Mn N4 O24 P6 -","- C180 H696 Mn12 N48 O288 P72 -","12","0.333333","","Tian, Hui; Zhu, Yan-Yu; Sun, Zhen-Gang; Tong, Fei; Zhu, Jiang; Chu, Wei; Sun, Shou-Hui; Zheng, Ming-Jing","Mixed-solvothermal synthesis, structures, luminescent and surface photovoltage properties of four new transition metal diphosphonates with a 3D supramolecular structure","New Journal of Chemistry","2013","37","1","212","","10.1039/c2nj40737j","","","0.71073","MoKα","","0.0798","0.0549","","","0.1507","0.1747","","","","","","1","","","","has coordinates","180084","2020-10-21","18:00:00","" "7053099","16.6483","0.0006","16.6483","0.0006","51.521","0.003","90","","90","","120","","12366.7","1","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C15 H58 Co N4 O24 P6 -","- C15 H58 Co N4 O24 P6 -","- C180 H696 Co12 N48 O288 P72 -","12","0.333333","","Tian, Hui; Zhu, Yan-Yu; Sun, Zhen-Gang; Tong, Fei; Zhu, Jiang; Chu, Wei; Sun, Shou-Hui; Zheng, Ming-Jing","Mixed-solvothermal synthesis, structures, luminescent and surface photovoltage properties of four new transition metal diphosphonates with a 3D supramolecular structure","New Journal of Chemistry","2013","37","1","212","","10.1039/c2nj40737j","","","0.71073","MoKα","","0.0636","0.0497","","","0.1578","0.1724","","","","","","1.097","","","","has coordinates","180084","2020-10-21","18:00:00","" "7053100","16.6093","0.0007","16.6093","0.0007","51.213","0.004","90","","90","","120","","12235.3","1.2","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C15 H58 N4 Ni O24 P6 -","- C15 H58 N4 Ni O24 P6 -","- C180 H696 N48 Ni12 O288 P72 -","12","0.333333","","Tian, Hui; Zhu, Yan-Yu; Sun, Zhen-Gang; Tong, Fei; Zhu, Jiang; Chu, Wei; Sun, Shou-Hui; Zheng, Ming-Jing","Mixed-solvothermal synthesis, structures, luminescent and surface photovoltage properties of four new transition metal diphosphonates with a 3D supramolecular structure","New Journal of Chemistry","2013","37","1","212","","10.1039/c2nj40737j","","","0.71073","MoKα","","0.0654","0.0499","","","0.1496","0.1666","","","","","","1.048","","","","has coordinates","180085","2020-10-21","18:00:00","" "7053101","16.6344","0.0015","16.6344","0.0015","51.382","0.007","90","","90","","120","","12313","2","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C15 H58 N4 O24 P6 Zn -","- C15 H58 N4 O24 P6 Zn -","- C180 H696 N48 O288 P72 Zn12 -","12","0.333333","","Tian, Hui; Zhu, Yan-Yu; Sun, Zhen-Gang; Tong, Fei; Zhu, Jiang; Chu, Wei; Sun, Shou-Hui; Zheng, Ming-Jing","Mixed-solvothermal synthesis, structures, luminescent and surface photovoltage properties of four new transition metal diphosphonates with a 3D supramolecular structure","New Journal of Chemistry","2013","37","1","212","","10.1039/c2nj40737j","","","0.71073","MoKα","","0.0769","0.0531","","","0.1458","0.1617","","","","","","1.061","","","","has coordinates","180085","2020-10-21","18:00:00","" "7053109","8.242","0.001","8.242","0.001","22.569","0.004","90","","90","","120","","1327.7","0.3","298","2","298","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C3 H3 Fe O6 -","- C3 H3 Fe O6 -","- C18 H18 Fe6 O36 -","6","0.166667","","Paredes-García, Verónica; Rojas, Ignacio; Madrid, Rosa; Vega, Andres; Navarro-Moratalla, Efrén; Cañón-Mancisidor, Walter; Spodine, Evgenia; Venegas-Yazigi, Diego","Structural and magnetic characterization of the tridimensional network [Fe(HCO2)3]n·nHCO2H","New Journal of Chemistry","2013","37","7","2120","","10.1039/c3nj00023k","","","0.71073","MoKα","","0.0174","0.017","","","0.051","0.0513","","","","","","1.019","","","","has coordinates","180085","2020-10-21","18:00:00","" "7054029","11.441","0.0007","11.441","0.0007","81.313","0.006","90","","90","","120","","9217.6","1","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C18 H40 I4 N2 O6.17 Zn -","- C18 H38 I4 N2 O6.15 Zn -","- C216 H456 I48 N24 O73.8 Zn12 -","12","0.333333","","Martí-Rujas, Javier; Cametti, Massimo","Synthesis of a novel hybrid metal‒organic salt and its solid-state transformation","New Journal of Chemistry","2014","38","4","1385","","10.1039/c3nj01400b","","","1.54178","CuKα","","0.0667","0.0617","","","0.1701","0.176","","","","","","1.127","","","","has coordinates","180094","2020-10-21","18:00:00","" "7054031","11.06","0.0006","11.06","0.0006","78.221","0.005","90","","90","","120","","8286.4","0.8","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C18 H40 Br4 N2 O7 Zn -","- C18 H38 Br4 N2 O6.5 Zn -","- C216 H456 Br48 N24 O78 Zn12 -","12","0.333333","","Martí-Rujas, Javier; Cametti, Massimo","Synthesis of a novel hybrid metal‒organic salt and its solid-state transformation","New Journal of Chemistry","2014","38","4","1385","","10.1039/c3nj01400b","","","1.54178","CuKα","","0.0384","0.0344","","","0.0998","0.1019","","","","","","1.093","","","","has coordinates","180094","2020-10-21","18:00:00","" "7055174","17.9949","0.0007","17.9949","0.0007","64.9775","0.0008","90","","90","","120","","18221.9","1","291","2","291","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","compoud 1","","- C27.5 H26.9 Cd N2.5 O10 -","- C26 H20 Cd N2 O8 -","- C468 H360 Cd18 N36 O144 -","18","0.5","","Su, Jian; Yao, Liudi; Zhang, Jun; Yuan, Shizhen; Xie, Fazhi; Ding, Yi; Zhao, Meng; Wang, Shichao; Li, Hao; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng","A novel 2D infinite M3L2cage-based Cd(ii) microporous coordination polymer with a tripodal carboxylic acid ligand and solvent-dependent luminescence properties","New J. Chem.","2016","40","1","97","","10.1039/C5NJ02144H","","","0.71073","MoKα","","0.1388","0.0626","","","0.1909","0.2203","","","","","","1.012","","","","has coordinates,has disorder","176128","2020-10-21","18:00:00","" "7055987","23.541","0.004","23.541","0.004","59.81","0.03","90","","90","","120","","28705","16","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C50 H72 N14 O6 S -","- C50 H72 N14 O6 S -","- C900 H1296 N252 O108 S18 -","18","0.5","","Ke, Ya-Ting; Chou, Wei-Tzu; Chiang, Yi-Fen; Hsieh, Chang-Chih; Horng, Yih-Chern","Efficient and selective separation of aqueous sulfate through recognition and precipitation","New J. Chem.","2017","41","6","2249","","10.1039/C6NJ03710K","","","0.71073","MoKα","","0.1417","0.1019","","","0.2621","0.2863","","","","","","0.849","","","","has coordinates","195153","2020-10-21","18:00:00","" "7056219","15.6116","0.0005","15.6116","0.0005","44.947","0.003","90","","90","","120","","9486.9","0.8","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C45 H50 Cl6 Cu6 Gd2 N8 O13 -","- C45 H50.0004 Cl6 Cu6 Gd2 N8 O13 -","- C270 H300.002 Cl36 Cu36 Gd12 N48 O78 -","6","0.166667","","Wang, Hui-Sheng; Yang, Feng-Jun; Long, Qiao-Qiao; Huang, Zhi-Yong; Chen, Wei; Pan, Zhiquan","Syntheses, Crystal Structures, and Magnetic Properties of a Family of Heterometallic Octanuclear [Cu6Ln2] (Ln = Dy(III), Tb(III), Ho(III), Er(III), and Gd(III)) Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ00459A","","","0.71073","MoKα","","0.0876","0.054","","","0.1363","0.1529","","","","","","1.055","","","","has coordinates","196931","2020-10-21","18:00:00","" "7056220","15.8523","0.0006","15.8523","0.0006","44.49","0.007","90","","90","","120","","9682.3","1.6","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C45 H48 Cl6 Cu6 N8 O12 Tb2 -","- C45 H48 Cl6 Cu6 N8 O12 Tb2 -","- C270 H288 Cl36 Cu36 N48 O72 Tb12 -","6","0.166667","","Wang, Hui-Sheng; Yang, Feng-Jun; Long, Qiao-Qiao; Huang, Zhi-Yong; Chen, Wei; Pan, Zhiquan","Syntheses, Crystal Structures, and Magnetic Properties of a Family of Heterometallic Octanuclear [Cu6Ln2] (Ln = Dy(III), Tb(III), Ho(III), Er(III), and Gd(III)) Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ00459A","","","0.71073","MoKα","","0.1799","0.1166","","","0.3294","0.3585","","","","","","1.181","","","","has coordinates","196931","2020-10-21","18:00:00","" "7056221","15.6219","0.0005","15.6219","0.0005","44.866","0.003","90","","90","","120","","9482.3","0.8","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C45 H50 Cl6 Cu6 Ho2 N8 O13 -","- C45 H50.0004 Cl6 Cu6 Ho2 N8 O13 -","- C270 H300.002 Cl36 Cu36 Ho12 N48 O78 -","6","0.166667","","Wang, Hui-Sheng; Yang, Feng-Jun; Long, Qiao-Qiao; Huang, Zhi-Yong; Chen, Wei; Pan, Zhiquan","Syntheses, Crystal Structures, and Magnetic Properties of a Family of Heterometallic Octanuclear [Cu6Ln2] (Ln = Dy(III), Tb(III), Ho(III), Er(III), and Gd(III)) Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ00459A","","","0.71073","MoKα","","0.0761","0.0389","","","0.0787","0.0867","","","","","","1.011","","","","has coordinates","196931","2020-10-21","18:00:00","" "7056222","15.7612","0.0005","15.7612","0.0005","44.844","0.002","90","","90","","120","","9647.5","0.6","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C45 H62 Cl6 Cu6 Er2 N8 O19 -","- C45 H62.0004 Cl6 Cu6 Er2 N8 O19 -","- C270 H372.002 Cl36 Cu36 Er12 N48 O114 -","6","0.166667","","Wang, Hui-Sheng; Yang, Feng-Jun; Long, Qiao-Qiao; Huang, Zhi-Yong; Chen, Wei; Pan, Zhiquan","Syntheses, Crystal Structures, and Magnetic Properties of a Family of Heterometallic Octanuclear [Cu6Ln2] (Ln = Dy(III), Tb(III), Ho(III), Er(III), and Gd(III)) Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ00459A","","","0.71073","MoKα","","0.0654","0.0352","","","0.0784","0.0918","","","","","","1.042","","","","has coordinates,has disorder","196931","2020-10-21","18:00:00","" "7056223","15.6308","0.0012","15.6308","0.0012","44.638","0.007","90","","90","","120","","9444.9","1.8","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C45 H50 Cl6 Cu6 Dy2 N8 O13 -","- C45 H50.0004 Cl6 Cu6 Dy2 N8 O13 -","- C270 H300.002 Cl36 Cu36 Dy12 N48 O78 -","6","0.166667","","Wang, Hui-Sheng; Yang, Feng-Jun; Long, Qiao-Qiao; Huang, Zhi-Yong; Chen, Wei; Pan, Zhiquan","Syntheses, Crystal Structures, and Magnetic Properties of a Family of Heterometallic Octanuclear [Cu6Ln2] (Ln = Dy(III), Tb(III), Ho(III), Er(III), and Gd(III)) Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ00459A","","","0.71073","MoKα","","0.1208","0.0732","","","0.1781","0.1934","","","","","","1.064","","","","has coordinates","196931","2020-10-21","18:00:00","" "7058450","22.317","0.003","22.317","0.003","22.272","0.003","90","","90","","120","","9606","2","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C36 H77 Cl3 N24 O43 -","- C36 H36 Cl3 N24 O24 -","- C216 H216 Cl18 N144 O144 -","6","0.166667","","Xia, Xi; Ge, Wei Wei; Chen, Haiyong; Tao, Zhu; Zhang, Yunqian; Wei, Gang; Chen, Kai","Porous supramolecular assemblies and functional properties of perhydroxylated cucurbit[6]uril and polyoxometallates","New Journal of Chemistry","2019","43","26","10297","","10.1039/C9NJ01116A","","","0.71073","MoKα","","0.0763","0.0637","","","0.2093","0.2292","","","","","","1.286","","","","has coordinates","224798","2020-10-21","18:00:00","" "7061517","13.3415","0.0003","13.3415","0.0003","48.9618","0.0011","90","","90","","120","","7547.4","0.3","159.9","0.2","159.9","0.2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C26 H56 B2 Fe N18 O7 S7 -","- C26.0004 H56.0012 B2 Fe N18 O7.0002 S7.0002 -","- C156.002 H336.007 B12 Fe6 N108 O42.0012 S42.0012 -","6","0.166667","","Horniichuk, Oleksandr Ye.; Ridier, Karl; Molnár, Gábor; Kotsyubynsky, Volodymyr O.; Shova, Sergiu; Amirkhanov, Vladimir M.; Gural'skiy, Il’ya A.; Salmon, Lionel; Bousseksou, Azzedine","Solvatomorphism, polymorphism and spin crossover in bis[hydrotris(1,2,3-triazol-1-yl)borate]iron(ii)","New Journal of Chemistry","2022","46","24","11734","11740","10.1039/D2NJ01471H","","","0.71073","MoKα","","0.0577","0.0441","","","0.1023","0.1088","","","","","","1.06","","","","has coordinates,has disorder","276636","2022-07-06","08:18:52","" "7100036","15.1699","0.001","15.1699","0.001","56.846","0.007","90","","90","","120","","11329.1","1.8","203","2","203","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","tris(iminobis(diphenylphosphinoselenido)-N, Se, Se')- uranium(iii) benzene solvate","","","- C78 H60 D6 N3 P6 Se6 U -","- C78 H66 N3 P6 Se6 U -","- C468 H396 N18 P36 Se36 U6 -","6","0.166667","","A.J. Gaunt; B.L. Scott; M.P. Neu","Homoleptic uranium(III) imidodiphoshinochalcogenides including the first structurally characterised molecular trivalent actinide-Se bond","Chemical Communications","2005","","","","","10.1039/b503106k","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00","" "7100037","15.0066","0.0009","15.0066","0.0009","56.107","0.004","90","","90","","120","","10942.4","1.2","141","2","141","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","tris(iminobis(diphenylphosphinosulfido)-N, S, S')- uranium(iii) toluene solvate","","","- C79 H68 N3 P6 S6 U -","- C72 H60 N3 P6 S6 U -","- C432 H360 N18 P36 S36 U6 -","6","0.166667","","","","Chemical Communications","2005","","","","","10.1039/b503106k","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00","" "7100080","14.818","0.002","14.818","0.002","24.856","0.005","90","","90","","120","","4726.5","1.3","253","2","253","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C36 H33 B3 N6 -","- C36 H33 B3 N6 -","- C216 H198 B18 N36 -","6","0.166667","","Chi-ming Che.; Chi-Chung Kwok.; Iona H. T. Sham; Nianyong Zhu.","Borazine Materials for Organic Optoelectronic Applications","Chemical Communications","2005","","","","","10.1039/b504510j","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00","" "7100385","56.06","0.03","56.06","0.03","35.87","0.05","90","","90","","120","","97625","138","110","2","110","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","(Ni6Fe2Co3)(2).13ClO4.17H2O","","","- C108 H190 Cl13 Co3 Fe2 N24 Ni6 O99 -","- C108 H96 Cl13 Co3 Fe2 N24 Ni5.98 O98.9 -","- C1944 H1728 Cl234 Co54 Fe36 N432 Ni107.64 O1780.2 -","18","0.5","","K. Dunbar; Curtis Berlinguette","The step-wise assembly of an undecanuclear heterotrimetallic cyanide cluster","Chemical Communications","2005","","","","","10.1039/b418698b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180105","2020-10-21","18:00:00","" "7100871","11.7478","0.0015","11.7478","0.0015","85.034","0.01","90","","90","","120","","10163","2","90","2","90","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C42 H72 F12 I8 K2 N4 O12 -","- C42 H72 F12 I8 K2 N4 O12 -","- C252 H432 F72 I48 K12 N24 O72 -","6","0.166667","","Giuseppe Resnati; Rosalba Liantonio; Pierangelo Metrangolo; Franck Meyer; Tullio Pilati","Metric engineering of supramolecular borromean rings","Chemical Communications","2006","","","","","10.1039/b516730b","","","","","","","","","","","","","","","","","","","","","has coordinates","180110","2020-10-21","18:00:00","" "7101305","26.01","0.001","26.01","0.001","20.8538","0.0016","90","","90","","120","","12217.9","1.1","123","2","123","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C48 H78 Cd6 Na12 O75 -","- C48 H24 Cd6 Na12 O75 -","- C288 H144 Cd36 Na72 O450 -","6","0.166667","","Jing Wang; Yue-Hua Zhang; Ming-Liang Tong","Two new 3D metal-organic frameworks of nanoscale cages constructed by Cd(II) and conformation-flexible cyclohexanehexacarboxylate","Chemical Communications","2006","","30","","","10.1039/b604584g","","","0.71073","MoKα","","0.0466","0.0434","","","0.1171","0.1194","","","","","","1.053","","","","has coordinates","180115","2020-10-21","18:00:00","" "7101428","14.6187","0.0014","14.6187","0.0014","77.975","0.011","90","","90","","120","","14431","3","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C42 H49 B I N9 Se3 Zn -","- C36 H39 B I N6 Se3 Zn -","- C432 H468 B12 I12 N72 Se36 Zn12 -","12","0.333333","","G. Parkin; Victoria K. Landry; Luciano Marchio; Jonathan G. Melnick; Mao Minoura; Keliang Pang","Synthesis and Structural Characterization of Tris(2-seleno-1-mesitylimidazolyl)hydroborato Complexes: A New Type of Strongly Electron Donating Tripodal Selenium Ligand","Chemical Communications","2006","","38","","","10.1039/b608078b","","","0.71073","MoKα","","0.0582","0.0406","","","0.1294","0.1359","","","","","","1.022","","","","has coordinates","180116","2020-10-21","18:00:00","" "7101431","14.6142","0.0007","14.6142","0.0007","78.868","0.005","90","","90","","120","","14587.6","1.4","243","2","243","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C42 H49 B Cd I N9 Se3 -","- C42 H49 B Cd I N9 Se3 -","- C504 H588 B12 Cd12 I12 N108 Se36 -","12","0.333333","","G. Parkin; Victoria K. Landry; Luciano Marchio; Jonathan G. Melnick; Mao Minoura; Keliang Pang","Synthesis and Structural Characterization of Tris(2-seleno-1-mesitylimidazolyl)hydroborato Complexes: A New Type of Strongly Electron Donating Tripodal Selenium Ligand","Chemical Communications","2006","","38","","","10.1039/b608078b","","","0.71073","MoKα","","0.1397","0.0586","","","0.1266","0.1529","","","","","","1.006","","","","has coordinates,has disorder","180116","2020-10-21","18:00:00","" "7101573","8.82","0.003","8.82","0.003","20.727","0.013","90","","90","","120","","1396.4","1.1","295","2","295","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C9 H9 Er O6 -","- C9 H6 Er O6 -","- C54 H36 Er6 O36 -","6","0.166667","","D.T.de Lill; C.L.Cahill","An Unusually High Thermal Stability within a Novel Lanthanide 1,3,5-Cyclohexanetricarboxylate Framework: Synthesis, Structure, and Thermal Data.","Chemical Communications","2006","","47","","","10.1039/b610012k","","","0.71073","MoKα","","0.0262","0.0176","","","0.0414","0.0435","","","","","","1.086","","","","has coordinates","180117","2020-10-21","18:00:00","" "7101574","8.9133","0.0012","8.9133","0.0012","20.654","0.006","90","","90","","120","","1421.1","0.5","295","2","295","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C9 H9 O6 Tb -","- C9 H6 O6 Tb -","- C54 H36 O36 Tb6 -","6","0.166667","","D.T.de Lill; C.L.Cahill","An Unusually High Thermal Stability within a Novel Lanthanide 1,3,5-Cyclohexanetricarboxylate Framework: Synthesis, Structure, and Thermal Data.","Chemical Communications","2006","","47","","","10.1039/b610012k","","","0.71073","MoKα","","0.0305","0.0184","","","0.0412","0.044","","","","","","1.074","","","","has coordinates","180117","2020-10-21","18:00:00","" "7101740","18.9996","0.0016","18.9996","0.0016","45.997","0.008","90","","90","","120","","14380","7","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C71.4 H67.6 N7.8 Ni3 O17.8 -","- C57 H33 N3 Ni3 O13 -","- C342 H198 N18 Ni18 O78 -","6","0.166667","","Jia, Junhua; Lin, Xiang; Wilson, Claire; Blake, Alexander J; Champness, Neil R; Hubberstey, Peter; Walker, Gavin; Cussen, Edmund J; Schröder, Martin","Twelve-connected porous metal-organic frameworks with high H(2) adsorption.","Chemical communications (Cambridge, England)","2007","","8","840","842","10.1039/b614254k","","","0.71073","MoKα","","0.0491","0.0423","","","0.1265","0.1293","","","","","","1.089","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7101741","19.2442","0.0014","19.2442","0.0014","45.613","0.007","90","","90","","120","","14629","2","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C69 H61 Fe3 N7 O17 -","- C57 H33 Fe3 N3 O13 -","- C342 H198 Fe18 N18 O78 -","6","0.166667","","Jia, Junhua; Lin, Xiang; Wilson, Claire; Blake, Alexander J; Champness, Neil R; Hubberstey, Peter; Walker, Gavin; Cussen, Edmund J; Schröder, Martin","Twelve-connected porous metal-organic frameworks with high H(2) adsorption.","Chemical communications (Cambridge, England)","2007","","8","840","842","10.1039/b614254k","","","0.6906","synchrotron","","0.0928","0.0623","","","0.1668","0.1772","","","","","","1.014","","","","has coordinates,has disorder","180119","2020-10-21","18:00:00","" "7101828","13.934","0.002","13.934","0.002","48.052","0.01","90","","90","","120","","8080","2","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C48 H34 N24 O9 Zn7 -","- C48 H31.98 N24 O9 Zn7 -","- C288 H191.88 N144 O54 Zn42 -","6","0.166667","","Li, Jian-Rong; Tao, Ying; Yu, Qun; Bu, Xian-He","A pcu-type metal-organic framework with spindle [Zn7(OH)8]6+ cluster as secondary building units.","Chemical communications (Cambridge, England)","2007","","15","1527","1529","10.1039/b615675d","","","0.71073","MoKα","","0.0785","0.0507","","","0.1109","0.1231","","","","","","1.044","","","","has coordinates","180120","2020-10-21","18:00:00","" "7101933","19.0071","0.0004","19.0071","0.0004","123.338","0.005","90","","90","","120","","38588.6","1.9","223","2","223","2","","","","","","","","9","R -3 c :H","-R 3 2""c","167","","","","- C126 H100.5 Au6 F9 Fe3 N4.5 O17 P6 S3 -","- C124.5 H96 Au6 F4.5 Fe3 N4.5 O12.5 P6 S3 -","- C1494 H1152 Au72 F54 Fe36 N54 O150 P72 S36 -","12","0.333333","","Teo, Peili; Koh, L L; Hor, T S Andy","Assembly of gold rings and chains with pyridyl carboxylate as directional spacer.","Chemical communications (Cambridge, England)","2007","","22","2225","2227","10.1039/b618309c","","","0.71073","MoKα","","0.1198","0.0792","","","0.2079","0.2321","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7102927","21.4508","0.0013","21.4508","0.0013","47.633","0.003","90","","90","","120","","18981","2","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","(BP2)Cu(N2CTMS2)","","","- C37 H68 B Cu N2 P2 Si2 -","- C37 H68 B Cu N2 P2 Si2 -","- C666 H1224 B18 Cu18 N36 P36 Si36 -","18","0.5","","Mankad, Neal P; Peters, Jonas C","Diazoalkanes react with a bis(phosphino)borate copper(i) source to generate [Ph2BP(tBu)2]Cu(eta1-N2CR2), [Ph2BP(tBu)2]Cu(CPh2), and [Ph2BP(tBu)2]Cu-N(CPh2)(NCPh2).","Chemical communications (Cambridge, England)","2008","","9","1061","1063","10.1039/b713687k","","","0.71073","MoKα","","0.0717","0.0454","","","0.1001","0.1205","","","","","","1.087","","","","has coordinates,has disorder","180131","2020-10-21","18:00:00","" "7103021","20.758","0.002","20.758","","27.172","0.003","90","","90","","120","","10139.7","1.8","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H20 F3 I4 N -","- C14 H20 F3 I4 N -","- C252 H360 F54 I72 N18 -","18","0.5","","Metrangolo, Pierangelo; Meyer, Frank; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Mutual induced coordination in halogen-bonded anionic assemblies with (6,3) cation-templated topologies.","Chemical communications (Cambridge, England)","2008","","14","1635","1637","10.1039/b716879a","","","0.71073","MoKα","","0.079","0.0483","","","0.1157","0.1223","","","","","","0.869","","","","has coordinates","180132","2020-10-21","18:00:00","" "7103022","20.834","0.003","20.834","","27.606","0.004","90","","90","","120","","10377","2","123","2","123","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H20 F3 I4 P -","- C14 H20 F3 I4 P -","- C252 H360 F54 I72 P18 -","18","0.5","","Metrangolo, Pierangelo; Meyer, Frank; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Mutual induced coordination in halogen-bonded anionic assemblies with (6,3) cation-templated topologies.","Chemical communications (Cambridge, England)","2008","","14","1635","1637","10.1039/b716879a","","","0.71073","MoKα","","0.0378","0.0283","","","0.0577","0.0606","","","","","","1.115","","","","has coordinates","180132","2020-10-21","18:00:00","" "7103027","20.903","0.003","20.903","","27.778","0.004","90","","90","","120","","10511","2","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C14 H20 F3 I4 N0.42 P0.58 -","- C14 H20 F3 I4 N0.42 P0.583 -","- C252 H360 F54 I72 N7.56 P10.494 -","18","0.5","","Metrangolo, Pierangelo; Meyer, Frank; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Mutual induced coordination in halogen-bonded anionic assemblies with (6,3) cation-templated topologies.","Chemical communications (Cambridge, England)","2008","","14","1635","1637","10.1039/b716879a","","","0.71073","MoKα","","0.0586","0.0357","","","0.0786","0.0994","","","","","","1.104","","","","has coordinates,has disorder","180132","2020-10-21","18:00:00","" "7103028","20.891","0.003","20.891","","27.594","0.004","90","","90","","120","","10430","2","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C14 H20 F3 I4 N0.64 P0.36 -","- C14 H20 F3 I4 N0.64 P0.358 -","- C252 H360 F54 I72 N11.52 P6.444 -","18","0.5","","Metrangolo, Pierangelo; Meyer, Frank; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Mutual induced coordination in halogen-bonded anionic assemblies with (6,3) cation-templated topologies.","Chemical communications (Cambridge, England)","2008","","14","1635","1637","10.1039/b716879a","","","0.71073","MoKα","","0.0548","0.0369","","","0.0858","0.1031","","","","","","1.111","","","","has coordinates,has disorder","180132","2020-10-21","18:00:00","" "7103029","20.908","0.003","20.908","","27.918","0.004","90","","90","","120","","10569","2","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C14 H20 F3 I4 N0.27 P0.73 -","- C14 H20 F3 I4 N0.27 P0.73 -","- C252 H360 F54 I72 N4.86 P13.14 -","18","0.5","","Metrangolo, Pierangelo; Meyer, Frank; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Mutual induced coordination in halogen-bonded anionic assemblies with (6,3) cation-templated topologies.","Chemical communications (Cambridge, England)","2008","","14","1635","1637","10.1039/b716879a","","","0.71073","MoKα","","0.0822","0.039","","","0.09","0.1114","","","","","","1.04","","","","has coordinates,has disorder","180132","2020-10-21","18:00:00","" "7103467","17.172","0.0018","17.172","0.0018","60.643","0.007","90","","90","","120","","15486","3","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C28 H56 O2 P2 Si2 -","- C28 H56 O2 P2 Si2 -","- C504 H1008 O36 P36 Si36 -","18","0.5","","Ionkin, Alex S; Marshall, William J; Fish, Brian M; Schiffhauer, Matthew F; McEwen, Charles N","A stable enol in small ring systems: clear differentiation between penta- and tri-valency of phosphorus atoms.","Chemical communications (Cambridge, England)","2008","","42","5432","5434","10.1039/b809877h","","","0.71073","MoKα","","0.0624","0.048","","","0.1232","0.1418","","","","","","1.091","","","","has coordinates","180137","2020-10-21","18:00:00","" "7103583","27.1286","0.0011","27.1286","0.0011","12.0736","0.0006","90","","90","","120","","7695.2","0.6","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","aqua(1,1'-di(propionic acid)-2,2;-biimidazole)cadium(ii) dihydrate","aqua(1,1'-di(propionic acid)-2,2;-biimidazole)cadium(II) dihydrate","","- C12 H18 Cd N4 O7 -","- C12 H17 Cd N4 O7.001 -","- C216 H306 Cd18 N72 O126.018 -","18","0.5","","Sang, Rui-Li; Xu, Li","Unprecedented helix-based microporous metal-organic frameworks constructed from a single ligand.","Chemical communications (Cambridge, England)","2008","","46","6143","6145","10.1039/b814524e","","","0.71073","MoKα","","0.0553","0.0548","","","0.1468","0.147","","","","","","1.306","","","","has coordinates,has disorder","180138","2020-10-21","18:00:00","" "7103584","27.4599","0.0008","27.4599","0.0008","12.5722","0.0006","90","","90","","120","","8209.9","0.5","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","aqua(1,1'-di(propionic acid)-2,2;-biimidazole)lead(ii) hydrate","aqua(1,1'-di(propionic acid)-2,2;-biimidazole)lead(II) hydrate","","- C12 H16 N4 O6 Pb -","- C12 H13 N4 O6 Pb -","- C216 H234 N72 O108 Pb18 -","18","0.5","","Sang, Rui-Li; Xu, Li","Unprecedented helix-based microporous metal-organic frameworks constructed from a single ligand.","Chemical communications (Cambridge, England)","2008","","46","6143","6145","10.1039/b814524e","","","0.71073","MoKα","","0.0323","0.0293","","","0.0616","0.063","","","","","","1.192","","","","has coordinates,has disorder","180138","2020-10-21","18:00:00","" "7103645","22.9416","0.0017","22.9416","0.0017","31.23","0.003","90","","90","","120","","14235","2","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C31 H33 I2 O0.67 P Rh2 -","- C30.9867 H32.96 I2 O0.66 P Rh2 -","- C557.76 H593.28 I36 O11.88 P18 Rh36 -","18","0.5","","Pechmann, Thomas; Brandt, Carsten D.; Werner, Helmut","The truly symmetrical doubly-bridging mode of trimethylphosphine in a dinuclear rhodium complex","Chemical Communications (Cambridge, United Kingdom)","2003","","10","1136","1137","10.1039/b301251d","","","0.71073","MoKα","","0.0664","0.0658","","","0.1372","0.1375","","","","","","1.303","","","","has coordinates","211332","2020-10-21","18:00:00","" "7103692","30.2394","0.0011","30.2394","0.0011","18.2791","0.0013","90","","90","","120","","14475.4","1.3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C34 H22 N2 O8 Zn2 -","- C34 H22 N2 O11.22 Zn2 -","- C612 H396 N36 O201.96 Zn36 -","18","0.5","","Moulton, Brian; Abourahma, Heba; Bradner, Michael W.; Lu, Jianjiang; McManus, Gregory J.; Zaworotko, Michael J.","A new 6^5^.8 topology and a distorted 6^5^.8 CdSO~4~ topology: two new supramolecular isomers of [M~2~(bdc)~2~(L)~2~]~n~ coordination polymers","Chemical Communications (Cambridge, United Kingdom)","2003","","12","1342","1343","10.1039/b301221b","","","0.71073","MoKα","","0.0508","0.0437","","","0.1149","0.1192","","","","","","1.068","","","","has coordinates","210405","2020-10-21","18:00:00","" "7103694","30.3087","0.0015","30.3087","0.0015","18.3364","0.0013","90","","90","","120","","14587.4","1.5","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C17 H11 Co N O6.48 -","- C17 H11 Co N O6.49 -","- C612 H396 Co36 N36 O233.64 -","36","1","","Moulton, Brian; Abourahma, Heba; Bradner, Michael W.; Lu, Jianjiang; McManus, Gregory J.; Zaworotko, Michael J.","A new 6^5^.8 topology and a distorted 6^5^.8 CdSO~4~ topology: two new supramolecular isomers of [M~2~(bdc)~2~(L)~2~]~n~ coordination polymers","Chemical Communications (Cambridge, United Kingdom)","2003","","12","1342","1343","10.1039/b301221b","","","0.71073","MoKα","","0.0757","0.0455","","","0.1079","0.1153","","","","","","0.939","","","","has coordinates","210405","2020-10-21","18:00:00","" "7103695","30.337","0.002","30.337","0.002","18.38","0.002","90","","90","","120","","14649","2","200","2","200","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C34 H22 Cu2 N2 O8 -","- C39 H22 Cu2 N2 O8 -","- C702 H396 Cu36 N36 O144 -","18","0.5","","Moulton, Brian; Abourahma, Heba; Bradner, Michael W.; Lu, Jianjiang; McManus, Gregory J.; Zaworotko, Michael J.","A new 6^5^.8 topology and a distorted 6^5^.8 CdSO~4~ topology: two new supramolecular isomers of [M~2~(bdc)~2~(L)~2~]~n~ coordination polymers","Chemical Communications (Cambridge, United Kingdom)","2003","","12","1342","1343","10.1039/b301221b","","","0.71073","MoKα","","0.1205","0.0497","","","0.1137","0.163","","","","","","0.841","","","","has coordinates","210405","2020-10-21","18:00:00","" "7103757","22.3735","0.0005","22.3735","0.0005","38.3087","0.0015","90","","90","","120","","16607.2","0.8","173","2","173","2","","","","","","","synthesis as described","4","R -3 c :H","-R 3 2""c","167","((Ph2C(C4H2NCH2NtBu)2Li4)3).5(C5H12)","","","- C118 H168 Li12 N12 -","- C115.96 H108 Li12 N12 -","- C695.76 H648 Li72 N72 -","6","0.166667","","Jason Love; Alexander J. Blake; Peter B. Hitchcock; Andrew Novak; Stuart D. Reid; Claire Wilson","The syntheses and structures of Group 1 expanded dipyrrolides: the formation of a 12-rung amidolithium circular ladder","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b303611a","","x-ray","0.71073","MoKα","","0.07","0.0554","","","0.1343","0.145","","","","","","1.041","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7103913","16.001","0.003","16.001","0.003","79.15","0.04","90","","90","","120","","17552","9","293","2","273","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C104 H102 Cl6 Cu12 N12 O28 V -","- C104 H90 Cl6 Cu12 N12 O28 V -","- C624 H540 Cl36 Cu72 N72 O168 V6 -","6","0.166667","","Mukherjee, Arindam; Nethaji, Munirathinam; Chakravarty, Akhil R.","Encapsulation of paramagnetic 3d1-vanadium(IV) in an antiferromagnetically coupled dodecanuclear copper(II) cage","Chemical Communications (Cambridge, United Kingdom)","2003","","24","2978","2979","10.1039/b310521k","","","0.71073","MoKα","","0.0964","0.0729","","","0.2191","0.2494","","","","","","1.147","","","","has coordinates","210734","2020-10-21","18:00:00","" "7104075","18.0461","0.0013","18.0461","0.0013","75.366","0.012","90","","90","","120","","21256","4","298","2","298","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C24 H61 Ag8 Br F6 O12.5 P7 Se12 -","- C24 H60 Ag8 Br F6 O12.5 P7 Se12 -","- C288 H720 Ag96 Br12 F72 O150 P84 Se144 -","12","0.333333","","Liu, C.-W.; Hung, Chiu-Mine; Haia, Hsien-Chung; Liaw, Ben-Jie; Liou, Lin-Shu; Tsai, Yi-Fang; Wang, Ju-Chun","Ag8Cl2[Se2P(OEt)2]6: a rare example containing a combination of discrete clusters and chains","Chemical Communications (Cambridge, United Kingdom)","2003","","8","976","977","10.1039/b300887h","","","0.71073","MoKα","","0.0911","0.0536","","","0.1366","0.1583","","","","","","1.078","","","","has coordinates","208973","2020-10-21","18:00:00","" "7104367","15.2431","0.0011","15.2431","0.0011","20.579","0.002","90","","90","","120","","4141","0.6","296","2","296","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C12 O12 Sc2 -","- C12 O12 Sc2 -","- C144 O144 Sc24 -","12","0.333333","","Gándara, Felipe; Gómez-Lor, Berta; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, Angeles","A new scandium metal organic framework built up from octadecasil zeolitic cages as heterogeneous catalyst.","Chemical communications (Cambridge, England)","2009","34","17","2393","2395","10.1039/b900841a","","","0.71073","MoKα","","0.0466","0.0425","","","0.1178","0.1205","","","","","","1.142","","","","has coordinates","180146","2020-10-21","18:00:00","" "7104743","26.5762","0.0004","26.5762","0.0004","26.1635","0.0009","90","","90","","120","","16003.4","0.6","123","2","123","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C26 H36 Ag2 F6 N4 O10 S2 -","- C26 H36 Ag2 F6 N4 O10 S2 -","- C468 H648 Ag36 F108 N72 O180 S36 -","18","0.5","","Duriska, Martin B; Neville, Suzanne M; Batten, Stuart R","Variable length ligands: a new class of bridging ligands for supramolecular chemistry and crystal engineering.","Chemical communications (Cambridge, England)","2009","34","37","5579","5581","10.1039/b910994c","","","0.71073","MoKα","","0.0832","0.0664","","","0.1685","0.1799","","","","","","1.117","","","","has coordinates,has disorder","180150","2020-10-21","18:00:00","" "7105118","39.9988","0.001","39.9988","0.001","10.8667","0.0003","90","","90","","120","","15056.4","0.7","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C200 H186 Cl18 Hg6 N12 O24 -","- C200 H180 Cl18 Hg6 N12 O26 -","- C600 H540 Cl54 Hg18 N36 O78 -","3","0.0833333","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: from 1-D interwoven racemic chains to quadruple-stranded helices.","Chemical communications (Cambridge, England)","2009","46","1","115","117","10.1039/b916249f","","","0.71073","MoKα","","0.0414","0.0285","","","0.075","0.0881","","","","","","1.088","","","","has coordinates","180155","2020-10-21","18:00:00","" "7105594","28.4649","0.0007","28.4649","0.0007","21.9509","0.0005","90","","90","","120","","15402.9","0.6","123","2","123","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C36 H20 Cl4 Co N6 O3 -","- C36 H20 Cl4 Co N6 O3.00667 -","- C648 H360 Cl72 Co18 N108 O54.12 -","18","0.5","","Wu, Jin-Ji; Cao, Man-Li; Ye, Bao-Hui","Spontaneous chiral resolution of mer-[Co(II)(N,N,O-L3)2] enantiomers mediated by pi-pi interactions.","Chemical communications (Cambridge, England)","2010","46","21","3687","3689","10.1039/c002167a","","","0.71073","MoKα","","0.0526","0.0464","","","0.1361","0.143","","","","","","1.049","","","","has coordinates,has disorder","180159","2020-10-21","18:00:00","" "7105682","24.0967","0.0004","24.0967","0.0004","37.7074","0.0012","90","","90","","120","","18961.5","0.7","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C66 H50 B2 Co Cu6 N18 O24 -","- C66 H50 B2 Co Cu6 N18 O24 -","- C396 H300 B12 Co6 Cu36 N108 O144 -","6","0.166667","","Dae Ryu; Woo Lee; Jin Lee; Jung Yoon; Hyoung Kim; Eui Koh; Chang Hong","Magnetic Metal-Organic Framework Constructed from a Paramagnetic Metalloligand Exhibiting a Significant Sorption and Reversible Magnetic Conversions","Chem.Commun.","2010","46","","8779","","10.1039/c0cc03540h","","","0.71073","MoKα","","0.0582","0.0373","","","0.0811","0.0863","","","","","","1.055","","","","has coordinates","180160","2020-10-21","18:00:00","" "7105789","25.682","0.004","25.682","0.004","114.9","0.02","90","","90","","120","","65631","18","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","Zn4O(BenzTB)1.5","Zn4O(BenzTB)1.5","","- C60 H36 N3 O13 Zn4 -","- C60 H36 N3 O13 Zn4 -","- C720 H432 N36 O156 Zn48 -","12","0.333333","","Ronny Grunker; Irena Senkovska; Ralf Biedermann; Nicole Klein; Martin Lohe; Philipp Muller; Stefan Kaskel","A highly porous Metal-Organic Framework with flexible corundum topology","Chem.Commun.","2011","47","","490","","10.1039/c0cc02273j","","","0.88561","Synchrotron","","0.1006","0.0542","","","0.1494","0.1644","","","","","","1.007","","","","has coordinates","180161","2020-10-21","18:00:00","" "7106166","15.6697","0.0006","15.6697","0.0006","12.4688","0.0004","90","","90","","120","","2651.41","0.17","110","2","110","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C4.18 H4 N2 S -","- C3.91667 H4 N2 S -","- C70.5 H72 N36 S18 -","18","0.5","","Benjamin Palmer; Benson Kariuki; Vamsee Muppidi; Colan Hughes; Kenneth Harris","An incommensurate thiourea inclusion compound","Chem.Commun.","2011","47","","3760","","10.1039/c0cc05477a","","","0.71073","MoKα","","0.0639","0.049","","","0.1303","0.1397","","","","","","1.127","","","","has coordinates","180165","2020-10-21","18:00:00","" "7106488","16.6949","0.0007","16.6949","0.0007","105.524","0.009","90","","90","","120","","25471","3","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","hexaaquodi((+/-)-2,7,12-trimethoxy-3,8,13-tris(4-(5- pyrimidyl)benzoyl)-10,15-dihydro-5H- tribenzo(a,d,g)cyclononane)triscopper(ii) nitrate","hexaaquodi[(+/-)-2,7,12-trimethoxy-3,8,13-tris[4- (5-pyrimidyl)benzoyl]-10,15-dihydro-5H- tribenzo[a,d,g]cyclononane]triscopper(II) nitrate","","- C114 H96 Cu3 N18 O45 -","- C114 H84 Cu3 N15 O33 -","- C684 H504 Cu18 N90 O198 -","6","0.166667","","James J. Henkelis; Tanya K. Ronson; Lindsay P. Harding; Michaele J. Hardie","M3L2 metallo-cryptophanes: [2]catenane and simple cages","Chem.Commun.","2011","47","","6560","","10.1039/c1cc10806a","","","0.71073","MoKα","","0.1041","0.0927","","","0.31","0.3215","","","","","","1.402","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00","" "7106489","16.5503","0.0008","16.5503","0.0008","106.295","0.011","90","","90","","120","","25215","3","150","2","150","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","di((+/-)-2,7,12-trimethoxy-3,8,13-tris(4-(5- pyrimidyl)benzoyl)-10,15-dihydro-5H- tribenzo(a,d,g)cyclononane)trissilver(i) tetrafluoroborate","di[(+/-)-2,7,12-trimethoxy-3,8,13-tris[4- (5-pyrimidyl)benzoyl]-10,15-dihydro-5H- tribenzo[a,d,g]cyclononane]trissilver(I) tetrafluoroborate","","- C114 H84 Ag3 B3 F12 N12 O18 -","- C114 H84 Ag3 N12 O18 -","- C684 H504 Ag18 N72 O108 -","6","0.166667","","James J. Henkelis; Tanya K. Ronson; Lindsay P. Harding; Michaele J. Hardie","M3L2 metallo-cryptophanes: [2]catenane and simple cages","Chem.Commun.","2011","47","","6560","","10.1039/c1cc10806a","","","0.71073","MoKα","","0.1206","0.1113","","","0.3161","0.326","","","","","","1.103","","","","has coordinates","180168","2020-10-21","18:00:00","" "7106567","16.7164","0.0003","16.7164","0.0003","51.487","0.002","90","","90","","120","","12459.9","0.6","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H10.66 Bi N2 O9.83 -","- C14 H6 Bi N2 O9.83267 -","- C252 H108 Bi18 N36 O176.988 -","18","0.5","","Arief C. Wibowo; Mark D. Smith; Hans-Conrad zur Loye","New kagome lattice coordination polymer based on bismuth and pyridine-2,5-dicarboxylate: structure and photoluminescent properties","Chem.Commun.","2011","47","","7371","","10.1039/c1cc11720c","","","0.71073","MoKα","","0.0459","0.0382","","","0.1206","0.1277","","","","","","1.134","","","","has coordinates","180169","2020-10-21","18:00:00","" "7106744","20.4586","0.0008","20.4586","0.0008","80.37","0.003","90","","90","","120","","29132.4","1.9","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C66 H36 O13 Zn4 -","- C66 H36 O13 Zn4 -","- C792 H432 O156 Zn48 -","12","0.333333","","Jiangtao Jia; Fuxing Sun; Qianrong Fang; Xiaoqiang Liang; Kun Cai; Zheng Bian; Huijun Zhao; Lianxun Gao; Guangshan Zhu","A novel low density metal-organic framework with pcu topology by dendritic ligand","Chem.Commun.","2011","47","","9167","","10.1039/c1cc12891d","","","0.71073","MoKα","","0.0877","0.0743","","","0.2258","0.2375","","","","","","1.061","","","","has coordinates","180171","2020-10-21","18:00:00","" "7106780","15.117","0.002","15.117","0.002","88.648","0.018","90","","90","","120","","17544","5","173","2","173","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C126 H66 N30 -","- C153 H66 N30 -","- C918 H396 N180 -","6","0.166667","","Li-Xia Wang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis of 1,3,5-alternate azacalix[3]pyridine[3]pyrimidine and its complexation with fullerenes via multiple p/p and CH/p interactions","Chem.Commun.","2011","47","","9690","","10.1039/c1cc11514f","","","0.71073","MoKα","","0.1808","0.1791","","","0.5182","0.519","","","","","","2.605","","","","has coordinates","180171","2020-10-21","18:00:00","" "7106854","24.4709","0.0018","24.4709","0.0018","39.112","0.003","90","","90","","120","","20283","3","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C96 H204 N3 O40 P W12 -","- C96 H204 N3 O40 P W12 -","- C576 H1224 N18 O240 P6 W72 -","6","0.166667","","Yunxia Jiang; Shuxia Liu; Shujun Li; Jun Miao; Jing Zhang; Lixin Wu","Anisotropic ionic liquids built from nonmesogenic cation surfactants and Keggin-type polyoxoanions","Chem.Commun.","2011","47","","10287","","10.1039/c1cc13721b","","","0.71073","MoKα","","0.0659","0.0323","","","0.0537","0.0622","","","","","","1.003","","","","has coordinates","180172","2020-10-21","18:00:00","" "7107116","16.8242","0.0002","16.8242","0.0002","72.52","0.002","90","","90","","120","","17777","0.6","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C21 H30 Br Cu N12 Se3 -","- C21 H30 Br Cu N12 Se3 -","- C504 H720 Br24 Cu24 N288 Se72 -","24","0.666667","","Joice Thomas; Wim Van Rossom; Kristof Van Hecke; Luc Van Meervelt; Mario Smet; Wouter Maes; Wim Dehaen","Selenacalix[3]triazines: Synthesis and Host-Guest Chemistry","Chem.Commun.","2012","48","","43","","10.1039/c1cc15473g","","","1.54178","CuKα","","0.0636","0.0554","","","0.1384","0.1447","","","","","","1.069","","","","has coordinates","180175","2020-10-21","18:00:00","" "7107207","16.455","0.006","16.455","0.006","58.56","0.02","90","","90","","120","","13732","8","113","2","113","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C56 H88.5 Cl0.5 N36 Ni9 O23 -","- C56 H72 Cl0.5 N36 Ni9 O23 -","- C336 H432 Cl3 N216 Ni54 O138 -","6","0.166667","","Jing-Yuan Xu; Hai-Bin Song; Gong-Feng Xu; Xin Qiao; Shi-Ping Yan; Dai-Zheng Liao; Yves Journaux; Joan Cano","A new enneanuclear nickel(II) cluster with a rectangular face-centered trigonal prism structure and cluster glass behavior","Chem.Commun.","2012","48","","1015","","10.1039/c1cc16243h","","","0.7107","MoKα","","0.0602","0.0574","","","0.1443","0.1462","","","","","","1.235","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7107476","17.583","0.003","17.583","0.003","48.345","0.01","90","","90","","120","","12944","4","200","2","200","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C66 H72 I2 N6 S6 -","- C66 H72 I2 N6 S6 -","- C396 H432 I12 N36 S36 -","6","0.166667","","Pin-Shen Huang; Chih-Hong Kuo; Chang-Chih Hsieh; Yih-Chern Horng","Selective capture of volatile iodine using amorphous molecular organic solids","Chem.Commun.","2012","48","","3227","","10.1039/c2cc17716a","","x-ray","0.71073","MoKα","","0.1417","0.0924","","","0.2989","0.3261","","","","","","1.015","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00","" "7108229","17.8042","0.0002","17.8042","0.0002","47.6257","0.0012","90","","90","","120","","13074.3","0.4","200","2","200","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C67 H75 I N6 S6 -","- C67 H78 I N6 S6 -","- C402 H468 I6 N36 S36 -","6","0.166667","","Yih-Chern Horng; Pin-Shen Huang; Chang-Chih Hsieh; Chih-Hong Kuo; Ting-Shen Kuo","Selective encapsulation of volatile and reactive methyl iodide","Chem.Commun.","2012","48","","8844","","10.1039/c2cc34346k","","","0.71073","MoKα","","0.1222","0.0744","","","0.2291","0.2543","","","","","","0.964","","","","has coordinates","176453","2020-10-21","18:00:00","" "7108363","17.8824","0.0003","17.8824","0.0003","72.9661","0.0014","90","","90","","120","","20207.1","0.6","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C110 H159 N63 Ni9 O12 -","- C110 H156 N63 Ni9 O12 -","- C660 H936 N378 Ni54 O72 -","6","0.166667","","Jordi Esteban; Merce Font-Bardia; Albert Escuer","Anion coordination by metallamacrocycles: a cryptand-like cavity","Chem.Commun.","2012","48","","9777","","10.1039/c2cc34061e","","","0.71073","MoKα","","0.0353","0.0267","","","0.0715","0.0784","","","","","","1.065","","","","has coordinates","180187","2020-10-21","18:00:00","" "7108364","18.0774","0.0008","18.0774","0.0008","72.889","0.004","90","","90","","120","","20628.4","1.7","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C108 H156 Br3 N57 Ni9 O7 -","- C108 H156 Br3.04 N57 Ni9 O7 -","- C648 H936 Br18.24 N342 Ni54 O42 -","6","0.166667","","Jordi Esteban; Merce Font-Bardia; Albert Escuer","Anion coordination by metallamacrocycles: a cryptand-like cavity","Chem.Commun.","2012","48","","9777","","10.1039/c2cc34061e","","","0.71073","MoKα","","0.0734","0.0501","","","0.1466","0.1676","","","","","","1.066","","","","has coordinates","180187","2020-10-21","18:00:00","" "7108365","18.0085","0.0009","18.0085","0.0009","73.205","0.005","90","","90","","120","","20560","2","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C216 H314 Cl4 N120 Ni18 O13 -","- C216 H312 Cl4.08 N120 Ni18 O13 -","- C648 H936 Cl12.24 N360 Ni54 O39 -","3","0.0833333","","Jordi Esteban; Merce Font-Bardia; Albert Escuer","Anion coordination by metallamacrocycles: a cryptand-like cavity","Chem.Commun.","2012","48","","9777","","10.1039/c2cc34061e","","","0.71073","MoKα","","0.0742","0.0379","","","0.1056","0.1265","","","","","","1.043","","","","has coordinates","180187","2020-10-21","18:00:00","" "7108366","17.9113","0.0012","17.9113","0.0012","72.574","0.005","90","","90","","120","","20163","2","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C108 H160 I3 N57 Ni9 O8 -","- C108 H156 I3 N57 Ni9 O8 -","- C648 H936 I18 N342 Ni54 O48 -","6","0.166667","","Jordi Esteban; Merce Font-Bardia; Albert Escuer","Anion coordination by metallamacrocycles: a cryptand-like cavity","Chem.Commun.","2012","48","","9777","","10.1039/c2cc34061e","","","0.71073","MoKα","","0.0761","0.0545","","","0.1679","0.1883","","","","","","1.061","","","","has coordinates","180187","2020-10-21","18:00:00","" "7108531","22.115","0.003","22.115","0.003","178.02","0.04","90","","90","","120","","75400","2","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C189 H180 Ag15 F27 N48 O30 S9 -","- C185 H180 Ag15 F15 N48 O18 S5 -","- C2220 H2160 Ag180 F180 N576 O216 S60 -","12","0.333333","","Xin He; Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang","Designed synthesis of a metal cluster-pillared coordination cage","Chem.Commun.","2012","48","","10877","","10.1039/c2cc36250c","","","0.71073","MoKα","","0.0835","0.0652","","","0.1741","0.1864","","","","","","1.065","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00","" "7109118","25.1752","0.0007","25.1752","0.0007","30.0006","0.0005","90","","90","","120","","16466.7","0.7","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C11.5 H20 N O3 -","- C11.5 H20 N O3 -","- C414 H720 N36 O108 -","36","1","","David Bardelang; Michel Giorgi; Cedric Pardanaud; Virginie Hornebecq; Egon Rizzato; Paul Tordo; Olivier Ouari","Organic multishell isostructural host-guest crystals: fullerenes C60 inside a nitroxide open framework","Chem.Commun.","2013","49","","3519","","10.1039/c3cc00170a","","x-ray","0.71073","MoKα","","0.202","0.1355","","","0.3915","0.436","","","","","","1.532","","","","has coordinates","176453","2020-10-21","18:00:00","" "7109119","25.1752","0.0007","25.1752","0.0007","30.0006","0.0005","90","","90","","120","","16466.7","0.7","293","2","293","2","","","","","","","synthesis as described","4","R -3 c :H","-R 3 2""c","167","","","","- C11.5 H20 N O3 -","- C11.5 H20 N O3 -","- C414 H720 N36 O108 -","36","1","","David Bardelang; Michel Giorgi; Cedric Pardanaud; Virginie Hornebecq; Egon Rizzato; Paul Tordo; Olivier Ouari","Organic multishell isostructural host-guest crystals: fullerenes C60 inside a nitroxide open framework","Chem.Commun.","2013","49","","3519","","10.1039/c3cc00170a","","x-ray","0.71073","MoKα","","0.1172","0.0742","","","0.2537","0.2886","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00","" "7109120","25.189","0.0008","25.189","0.0008","30.1466","0.0006","90","","90","","120","","16565","0.8","293","2","293","2","","","","","","","synthesis as described","4","R -3 c :H","-R 3 2""c","167","","","","- C11.5 H20 N O3 -","- C11.5 H20 N O3 -","- C414 H720 N36 O108 -","36","1","","David Bardelang; Michel Giorgi; Cedric Pardanaud; Virginie Hornebecq; Egon Rizzato; Paul Tordo; Olivier Ouari","Organic multishell isostructural host-guest crystals: fullerenes C60 inside a nitroxide open framework","Chem.Commun.","2013","49","","3519","","10.1039/c3cc00170a","","x-ray","0.71073","MoKα","","0.1353","0.0915","","","0.3019","0.337","","","","","","1.142","","","","has coordinates","176453","2020-10-21","18:00:00","" "7109121","25.189","0.0008","25.189","0.0008","30.1466","0.0006","90","","90","","120","","16565","0.8","293","2","293","2","","","","","","","synthesis as described","4","R -3 c :H","-R 3 2""c","167","","","","- C11.5 H20 N O3 -","- C11.5 H20 N O3 -","- C414 H720 N36 O108 -","36","1","","David Bardelang; Michel Giorgi; Cedric Pardanaud; Virginie Hornebecq; Egon Rizzato; Paul Tordo; Olivier Ouari","Organic multishell isostructural host-guest crystals: fullerenes C60 inside a nitroxide open framework","Chem.Commun.","2013","49","","3519","","10.1039/c3cc00170a","","x-ray","0.71073","MoKα","","0.2195","0.1572","","","0.4459","0.4854","","","","","","1.763","","","","has coordinates","180195","2020-10-21","18:00:00","" "7109651","26.5879","0.0006","26.5879","0.0006","67.331","0.004","90","","90","","120","","41221","3","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C80 H101.33 Cd3 N8.67 O26.67 -","- C56 H24 Cd3 O16 -","- C1008 H432 Cd54 O288 -","18","0.5","","Yun-Nan Gong; Tong-Bu Lu","Fast detection of oxygen by the naked eye using a stable metal-organic framework containing methyl viologen cations","Chem.Commun.","2013","49","","7711","","10.1039/c3cc42268b","","","1.54178","CuKα","","0.0808","0.067","","","0.1709","0.1775","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00","" "7110045","38.2369","0.001","38.2369","0.001","22.7356","0.0012","90","","90","","120","","28787.4","1.9","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C56 H95 In N6 O16 -","- C24 H15 In N O8 -","- C432 H270 In18 N18 O144 -","18","0.5","","Libo Sun; Hongzhu Xing; Zhiqiang Liang; Jihong Yu; Ruren Xu","A 4 + 4 strategy for synthesis of zeolitic metal-organic frameworks: an indium-MOF with SOD topology as a light-harvesting antenna","Chem.Commun.","2013","49","","11155","","10.1039/c3cc43383h","","","0.71073","MoKα","","0.1513","0.0448","","","0.0788","0.0878","","","","","","1.009","","","","has coordinates","180214","2020-10-21","18:00:00","" "7110339","26.247","0.004","26.247","0.004","22.735","0.006","90","","90","","120","","13564","5","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","thiophene-bridged_molecular_gyroscope_with_3THF","","","- C64 H146 O6 S Si14 -","- C63.96 H145.98 O6 S0.99 Si14 -","- C383.76 H875.88 O36 S5.94 Si84 -","6","0.166667","","Wataru Setak; Soichiro Ohmizu; Mitsuo Kira","Kinetic stabilization against the oxidation reaction induced by a silaalkane cage in a thiophene-bridged molecular gyroscope","Chem.Commun.","2014","50","","1098","","10.1039/c3cc48205g","","","0.71073","MoKα","","0.1071","0.0603","","","0.1391","0.1666","","","","","","1.118","","","","has coordinates","180217","2020-10-21","18:00:00","" "7110340","26.249","0.002","26.249","0.002","22.827","0.004","90","","90","","120","","13621","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","SO2-bridged_molecular_gyroscope_with_3THF","","","- C64 H146 O8 S Si14 -","- C63.96 H145.98 O7.98 S0.99 Si14 -","- C383.76 H875.88 O47.88 S5.94 Si84 -","6","0.166667","","Wataru Setak; Soichiro Ohmizu; Mitsuo Kira","Kinetic stabilization against the oxidation reaction induced by a silaalkane cage in a thiophene-bridged molecular gyroscope","Chem.Commun.","2014","50","","1098","","10.1039/c3cc48205g","","","0.71073","MoKα","","0.0633","0.0528","","","0.149","0.1594","","","","","","1.047","","","","has coordinates","180217","2020-10-21","18:00:00","" "7110753","18.328","0.009","18.328","0.009","48.798","0.02","90","","90","","120","","14196","11","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","[C66 H48 F36 Fe2 Mn3 N20 O12]n","","- C66 H48 F36 Fe2 Mn3 N20 O12 -","- C66 H48 F36 Fe2 Mn3 N20 O12 -","- C396 H288 F216 Fe12 Mn18 N120 O72 -","6","0.166667","","Lambert, François; Renault, Jean-Philippe; Policar, Clotilde; Morgenstern-Badarau, Irène; Cesario, Michèle","A polymeric, layered bimetallic Mn(ii)Fe(iii) imidazolate network; crystal structure and magnetic properties","Chemical Communications","2000","","1","35","","10.1039/a907068k","","","0.71073","MoKα","","0.1089","0.0624","","0.1823","","0.1514","","","0.93","","","1.061","","","","has coordinates","180221","2020-10-21","18:00:00","" "7110765","19.849","0.003","19.849","0.003","79.082","0.016","90","","90","","120","","26983","8","180","2","180","2","","","","","","","Crystals were grown by recrystallization from CH3CN","9","R -3 c :H","-R 3 2""c","167","","","","- C178 H224 B3 Cl Fe2 N24 Ni2 O S6 -","- C178 H203.94 B3 Cl Fe2 N24 Ni2 O S6 -","- C1068 H1223.64 B18 Cl6 Fe12 N144 Ni12 O6 S36 -","6","0.166667","","Steinfeld, Gunther; Kersting, Berthold","Characterisation of a triply thiolate-bridged Ni‒Fe amine‒thiolate complex: insights into the electronic structure of the active site of [NiFe] hydrogenase","Chemical Communications","2000","","3","205","","10.1039/a908201h","","","0.71073","MoKα","","0.1744","0.0686","","0.2165","0.1675","","","","0.917","1.13","1.13","","","","","has coordinates,has disorder","180221","2020-10-21","18:00:00","" "7110788","21.62","0.003","21.62","0.003","61.49","0.012","90","","90","","120","","24891","7","200","2","200","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C76 H113 Li3 N9 O10 P3 -","- C75.96 H112.92 Li3 N9 O9.99 P3 -","- C911.52 H1355.04 Li36 N108 O119.88 P36 -","12","0.333333","","Lawson, Gavin T.; Rivals, Frederic; Tascher, Mathieu; Jacob, Chacko; Bickley, Jamie F.; Steiner, Alexander","cis-Trihydrogen cyclotriphosphazenates—acidic anions in strongly basic media","Chemical Communications","2000","","5","341","","10.1039/a908954c","","","0.71073","MoKα","","0.0856","0.0591","","","0.1555","0.1661","","","","","","0.873","","","","has coordinates,has disorder","180221","2020-10-21","18:00:00","" "7110849","19.054","0.003","19.054","0.003","81.851","0.016","90","","90","","120","","25735","8","220","2","220","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C178 H164 Co10 N9 O39 -","- C178.02 H160.08 Co10 N9 O39.02 -","- C1068.12 H960.48 Co60 N54 O234.12 -","6","0.166667","","Graham, Alasdair; Meier, Stephanie; Parsons, Simon; Winpenny, Richard E. P.","Changing cage structures through inter-ligand repulsions","Chemical Communications","2000","","10","811","","10.1039/b000385i","","","0.71073","MoKα","","0.1299","0.0715","","","0.179","0.2127","","","","","","1.055","","","","has coordinates,has disorder","180222","2020-10-21","18:00:00","" "7110857","37.653","0.042","37.653","0.042","55.359","0.063","90","","90","","120","","67970","13","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C288 H450 Cd6 N18 O48 S24 -","- C288 H432 Cd6 N18 O48 S24 -","- C1728 H2592 Cd36 N108 O288 S144 -","6","0.166667","","Fox, O. Danny; Wilkinson, Emma J. S.; Beer, Paul D.; Drew, Michael G. B.","Cadmium- and zinc-directed assembly of nano-sized, resorcarene-based host architectures which strongly bind C60","Chemical Communications","2000","","5","391","","10.1039/b000481m","","","0.71073","MoKα","","0.2044","0.1406","","0.4427","0.3873","","","","1.103","1.269","1.269","","","","","has coordinates,has disorder","180222","2020-10-21","18:00:00","" "7110858","37.517","0.044","37.517","0.044","56.042","0.065","90","","90","","120","","68313","14","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C258 H408 Cd6 N18 O57 S24 -","- C258 H354 Cd6 N18 O57 S24 -","- C1548 H2124 Cd36 N108 O342 S144 -","6","0.166667","","Fox, O. Danny; Wilkinson, Emma J. S.; Beer, Paul D.; Drew, Michael G. B.","Cadmium- and zinc-directed assembly of nano-sized, resorcarene-based host architectures which strongly bind C60","Chemical Communications","2000","","5","391","","10.1039/b000481m","","","0.71073","MoKα","","0.2427","0.112","","0.3646","0.2956","","","","1.001","1.282","1.282","","","","","has coordinates,has disorder","180222","2020-10-21","18:00:00","" "7110859","37.228","0.039","37.228","0.039","55.63","0.072","90","","90","","120","","66770","13","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C276 H417 N18 O43.5 S24 Zn6 -","- C276 H396 N18 O43.5 S24 Zn6 -","- C1656 H2376 N108 O261 S144 Zn36 -","6","0.166667","","Fox, O. Danny; Wilkinson, Emma J. S.; Beer, Paul D.; Drew, Michael G. B.","Cadmium- and zinc-directed assembly of nano-sized, resorcarene-based host architectures which strongly bind C60","Chemical Communications","2000","","5","391","","10.1039/b000481m","","","0.71073","MoKα","","0.212","0.1413","","0.4644","0.3982","","","","0.877","1.004","1.004","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7111180","14.5058","0.0008","14.5058","0.0008","100.883","0.011","90","","90","","120","","18384","2","200","2","200","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C110 H172 Li12 N9 O26 P3 -","- C109.92 H171.84 Li12 N9 O25.98 P3 -","- C659.52 H1031.04 Li72 N54 O155.88 P18 -","6","0.166667","","Rivals, Frederic; Steiner, Alexander","The pentadecadentate phosphazenate [{2-(MeO)C6H4N}6P3N3]6‒: chelation of twelve lithium ions by a single ligand","Chemical Communications","2001","","16","1426","","10.1039/b104124j","","","0.71073","MoKα","","0.0845","0.0694","","","0.1966","0.2047","","","","","","1.055","","","","has coordinates,has disorder","180225","2020-10-21","18:00:00","" "7111240","23.094","0.003","23.094","0.003","64.051","0.018","90","","90","","120","","29584","10","220","0.2","220","0.2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C144 H208.43 Cl12 Co12 N12 O59.22 -","- C144 H204 Cl12 Co12 N12 O57 -","- C864 H1224 Cl72 Co72 N72 O342 -","6","0.166667","","Brechin, Euan K.; Cador, Olivier; Caneschi, Andrea; Cadiou, Cyril; Harris, Steven G.; Parsons, Simon; Vonci, Michele; Winpenny, Richard E. P.","Synthetic and magnetic studies of a dodecanuclear cobalt wheel","Chemical Communications","2002","","17","1860","","10.1039/b205721m","","","0.71073","MoKα","","0.1659","0.0895","","0.2478","0.2018","","","","0.993","1.188","1.188","","","","","has coordinates,has disorder","180226","2020-10-21","18:00:00","" "7111570","17.6341","0.0009","17.6341","0.0009","73.951","0.004","90","","90","","120","","19915","1.8","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C24 H61 Ag8 F7 O12.5 P7 S12 -","- C24 H60 Ag8 F7 O12.51 P7 S12 -","- C288 H720 Ag96 F84 O150.12 P84 S144 -","12","0.333333","","Liu, C. W.; Chang, How-Wei; Fang, Ching-Shiang; Sarkar, Bijay; Wang, Ju-Chun","Anion-templated syntheses of octanuclear silver clusters from a silver dithiophosphate chain","Chemical Communications","2010","46","25","4571","4573","10.1039/b923388a","","","0.71073","MoKα","","0.0714","0.0548","","","0.1661","0.1804","","","","","","1.085","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7111571","17.6921","0.0008","17.6921","0.0008","73.951","0.004","90","","90","","120","","20046.3","1.7","296","2","296","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C24 H61 Ag8 Cl F6 O12.5 P7 S12 -","- C24 H60 Ag8 Cl F6 O12.51 P7 S12 -","- C288 H720 Ag96 Cl12 F72 O150.12 P84 S144 -","12","0.333333","","Liu, C. W.; Chang, How-Wei; Fang, Ching-Shiang; Sarkar, Bijay; Wang, Ju-Chun","Anion-templated syntheses of octanuclear silver clusters from a silver dithiophosphate chain","Chemical Communications","2010","46","25","4571","4573","10.1039/b923388a","","","0.71073","MoKα","","0.0877","0.056","","","0.1413","0.162","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7111572","17.4115","0.001","17.4115","0.001","74.436","0.006","90","","90","","120","","19543","2","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C24 H62 Ag8 F6 O12.5 P7 S12 -","- C24 H61.99 Ag8 F6 O12.495 P7 S12 -","- C288 H743.88 Ag96 F72 O149.94 P84 S144 -","12","0.333333","","Liu, C. W.; Chang, How-Wei; Fang, Ching-Shiang; Sarkar, Bijay; Wang, Ju-Chun","Anion-templated syntheses of octanuclear silver clusters from a silver dithiophosphate chain","Chemical Communications","2010","46","25","4571","4573","10.1039/b923388a","","","0.71073","MoKα","","0.0773","0.0616","","","0.1652","0.1732","","","","","","1.071","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7112109","22.3369","0.0013","22.3369","0.0013","24.2189","0.0018","90","","90","","120","","10464.8","1.2","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C51 H115 B2 Cu8 F8 N6 O18 -","- C51 H114.96 B2.01 Cu8 F8.04 N6 O18 -","- C306 H689.76 B12.06 Cu48 F48.24 N36 O108 -","6","0.166667","","Dmytro S. Nesterov; Julia Jezierska; Oksana V. Nesterova; Armando J. L. Pombeiro; Andrew Ozarowski","An unprecedented octanuclear copper core with C3i symmetry and a paramagnetic ground state","Chem.Commun.","2014","50","","3431","","10.1039/c3cc48107g","","","0.71073","MoKα","","0.1225","0.0743","","","0.1641","0.1816","","","","","","1.138","","","","has coordinates","180235","2020-10-21","18:00:00","" "7112924","26.918","0.004","26.918","0.004","86.67","0.02","90","","90","","120","","54386","17","78","2","78","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C49.5 H36 N0 O19 Zn4 -","- C49.5 H36 O19 Zn4 -","- C594 H432 O228 Zn48 -","12","0.333333","","Liu, Tian-Fu; Lü, Jian; Lin, Xi; Cao, Rong","Construction of a trigonal bipyramidal cage-based metal-organic framework with hydrophilic pore surface via flexible tetrapodal ligands.","Chemical communications (Cambridge, England)","2010","46","44","8439","8441","10.1039/c0cc02496a","","","0.71073","MoKα","","0.1323","0.0855","","","0.2446","0.285","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00","" "7112932","18.778","0.003","18.778","0.003","35.187","0.007","90","","90","","120","","10745","3","193","2","193","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C48 H80 Cu7 N18 O32 -","- C48 H80 Cu7 N18 O32 -","- C288 H480 Cu42 N108 O192 -","6","0.166667","","Li, Hong-Xi; Ren, Zhi-Gang; Liu, Dong; Chen, Yang; Lang, Jian-Ping; Cheng, Zhen-Ping; Zhu, Xiu-Lin; Abrahams, Brendan F.","Single-crystal-to-single-crystal structural transformations of two sandwich-like Cu(ii) pyrazolate complexes and their excellent catalytic performances in MMA polymerization.","Chemical communications (Cambridge, England)","2010","46","44","8430","8432","10.1039/c0cc03027a","","","0.71073","MoKα","","0.1037","0.0944","","","0.1839","0.1887","","","","","","1.194","","","","has coordinates,has disorder","180243","2020-10-21","18:00:00","" "7113390","20.324","0.005","20.324","0.005","47.623","0.005","90","0.005","90","0.005","120","0.005","17036","6","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","Tetrakis(pyridine)copper(ii) 1,3,5-tris(4-sulfophenyl)benzene pyridine solvate","","","- C113 H95 Cu3 N13 O18 S6 -","- C114 H96 Cu3 N12 O18 S6 -","- C684 H576 Cu18 N72 O108 S36 -","6","0.166667","","Mahmoudkhani, Amir H.; Côté, Adrien P; Shimizu, George K. H.","A neutral self-assembled coordination cage organized for inclusion of aromatic guests.","Chemical communications (Cambridge, England)","2004","","23","2678","2679","10.1039/b412325e","","","0.71069","MoKα","","0.1239","0.1096","","","0.3136","0.3288","","","","","","1.17","","","","has coordinates","180247","2020-10-21","18:00:00","" "7113851","22.604","0.002","22.604","0.002","22.964","0.003","90","","90","","120","","10161.3","1.8","100","","100","","","","","","","","local laboratory","5","R -3 c :H","-R 3 2""c","167","Bis(3-(4-pyridyl)-2,4-pentanedionato)copper(ii), ethanol- water solvate","Bis(3-(4-pyridyl)-2,4-pentanedionato)copper(II), ethanol-water solvate","","- C22 H30 Cu N2 O7 -","- C22 H20 Cu N2 O6.99333 -","- C396 H360 Cu18 N36 O125.88 -","18","0.5","","Chen, Banglin; Fronczek, Frank R.; Maverick, Andrew W.","Solvent-dependent 44 square grid and 64.82 NbO frameworks formed by Cu(Pyac)2 (bis[3-(4-pyridyl)pentane-2,4-dionato]copper(ii))Electronic supplementary information (ESI) available: microanalyses of 1, 2, 6 and 10. See http://www.rsc.org/suppdata/cc/b3/b305457h/","Chemical Communications","2003","","17","2166","","10.1039/b305457h","","","0.71073","MoKα","","0.054","0.043","","","0.136","0.143","","","","","","1.459","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7114221","13.59","0.0019","13.59","0.0019","37.595","0.008","90","","90","","120","","6013.1","1.7","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C44 H45 Fe3 N7 -","- C44 H45 Fe3 N7 -","- C264 H270 Fe18 N42 -","6","0.166667","","Dong, Guo; Gang, Han; Chun-ying, Duan; Ke-liang, Pang; Qing-jin, Meng","Novel ferrocene-containing helical triangular macrocycle achieved via an exchange reaction","Chemical Communications","2002","","10","1096","","10.1039/b201459a","","","0.71073","MoKα","","0.0836","0.0539","","","0.1512","0.1612","","","","","","1.035","","","","has coordinates","180256","2020-10-21","18:00:00","" "7114347","14.6594","0.0004","14.6594","0.0004","54.863","0.002","90","0.001","90","0.001","120","0.001","10210.4","0.6","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C21 H12 Eu F21 O12 -","- C21 H12 Eu F21 O12 -","- C252 H144 Eu12 F252 O144 -","12","0.333333","","Petrov, Viacheslav A.; Marshall, William J.; Grushin, Vladimir V.","The first perfluoroacetylacetonate metal complexes: as unexpectedly robust as tricky to makeElectronic supplementary information (ESI) available: details of the preparation of the complexes, analytical, NMR spectroscopical, and crystallographic data. See: http://www.rsc.org/suppdata/cc/b1/b111249j/","Chemical Communications","2002","","5","520","","10.1039/b111249j","","","0.71073","MoKα","","0.0453","0.0276","","","0.0658","0.0706","","","","","","0.977","","","","has coordinates","180257","2020-10-21","18:00:00","" "7115040","22.596","0.003","22.596","0.003","27.515","0.006","90","","90","","120","","12166","4","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C60 H54 Co3 N18 O23 V8 -","- C60 H54 Co3 N18 O23 V8 -","- C360 H324 Co18 N108 O138 V48 -","6","0.166667","","Liu, Cai-Ming; Gao, Song; Wang, Zhe-Ming; Hu, Huai-Ming","A novel bimetallic cage complex constructed from six V4Co pentatomic rings: hydrothermal synthesis and crystal structure of [(2,2′-Py2NH)2Co]3V8O23","Chemical Communications","2001","","17","1636","","10.1039/b104273b","","","0.71073","MoKα","","0.0774","0.0532","","","0.1397","0.1629","","","","","","1.055","","","","has coordinates,has disorder","180264","2020-10-21","18:00:00","" "7115693","15.7069","0.0013","15.7069","0.0013","52.887","0.009","90","","90","","120","","11300","2","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H6 In N2 O8 -","- C14 H6 In N2 O8 -","- C252 H108 In18 N36 O144 -","18","0.5","","Lei Wang; Weiting Yang; Yangxue Li; Zhigang Xie; Wei Zhu; Zhong-Ming Sun","Dynamically controlled one-pot synthesis of heterogeneous core-shell MOF single crystals using guest molecules","Chem.Commun.","2014","50","","11653","","10.1039/C4cc03588G","","","0.71073","MoKα","","0.0674","0.0362","","","0.068","0.0744","","","","","","0.868","","","","has coordinates","180270","2020-10-21","18:00:00","" "7116863","17.431","0.0011","17.431","0.0011","48.043","0.005","90","","90","","120","","12641.7","1.7","294","2","294","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C18 H11.33 Co O6.67 -","- C18 H11.32 Co O6.66667 -","- C324 H203.76 Co18 O120 -","18","0.5","","Min Chen; Hui Zhao; Chun-Sen Liu; Xi Wang; Heng-Zhen Shi; Miao Du","Template-directed construction of conformational supramolecular isomers for bilayer porous metal-organic frameworks with distinct gas sorption behaviors","Chem.Commun.","2015","51","","6014","","10.1039/C5cc00018A","","","0.71073","MoKα","","0.0971","0.0816","","","0.2356","0.2474","","","","","","1.049","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00","" "7116866","17.2813","0.0004","17.2813","0.0004","47.354","0.002","90","","90","","120","","12247.3","0.7","120","0.1","120","0.1","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C18 H11.33 Co O6.67 -","- C18 H11.32 Co O6.66667 -","- C324 H203.76 Co18 O120 -","18","0.5","","Min Chen; Hui Zhao; Chun-Sen Liu; Xi Wang; Heng-Zhen Shi; Miao Du","Template-directed construction of conformational supramolecular isomers for bilayer porous metal-organic frameworks with distinct gas sorption behaviors","Chem.Commun.","2015","51","","6014","","10.1039/C5cc00018A","","","0.71073","MoKα","","0.0696","0.0626","","","0.2089","0.2174","","","","","","1.107","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00","" "7116867","17.3321","0.0004","17.3321","0.0004","47.616","0.002","90","","90","","120","","12387.6","0.7","195","0.1","195","0.1","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C18 H11.33 Co O6.67 -","- C18 H11.32 Co O6.66667 -","- C324 H203.76 Co18 O120 -","18","0.5","","Min Chen; Hui Zhao; Chun-Sen Liu; Xi Wang; Heng-Zhen Shi; Miao Du","Template-directed construction of conformational supramolecular isomers for bilayer porous metal-organic frameworks with distinct gas sorption behaviors","Chem.Commun.","2015","51","","6014","","10.1039/C5cc00018A","","","0.71073","MoKα","","0.0736","0.0639","","","0.2183","0.2299","","","","","","1.088","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00","" "7117214","29.1653","0.0009","29.1653","0.0009","83.513","0.006","90","","90","","120","","61520","5","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C96 H40 Cd5 O34 -","- C96 H40 Cd5 O34 -","- C1728 H720 Cd90 O612 -","18","0.5","","Hongming He; Yang Song; Chuanqi Zhang; Fuxing Sun; Rongrong Yuan; Zheng Bian; Lianxun Gao; Guangshan Zhu","A highly robust metal-organic framework based on an aromatic 12-carboxyl ligand with highly selective adsorption of CO2 over CH4","Chem.Commun.","2015","51","","9463","","10.1039/C5cc01281C","","","0.71073","MoKα","","0.1194","0.0853","","","0.2596","0.3105","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00","" "7117361","34.7264","0.0006","34.7264","0.0006","155.851","0.003","90","","90","","120","","162765","5","293","2","293","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C444 H1061 Cl9 In84 Mn23 N148 O7 Se150 -","- C432 Cl9 In84 Mn26 N126 O7 Se150 -","- C2592 Cl54 In504 Mn156 N756 O42 Se900 -","6","0.166667","","Yu-Hong Wang; Jing Wu; Xiao-Wei Zhao; Li-Wen Qian; Qin-Yu Zhu; Jie Dai","A nano-scale triangular ring cluster of indium-selenide: the structure and templating effect","Chem.Commun.","2015","51","","10668","","10.1039/C5cc03404C","","","0.71073","MoKα","","0.1329","0.0985","","","0.194","0.2164","","","","","","1.167","","","","has coordinates","139685","2020-10-21","18:00:00","" "7118239","10.0899","","10.0899","","41.462","","90","","90","","120","","3655.57","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Ba9 (Rh8 O24)","","- Ba9 O24 Rh8 -","- Ba9 O24 Rh8 -","- Ba54 O144 Rh48 -","6","0.166667","","Stitzer, K.E.; Smith, M.D.; zur Loye, H.C.; Darriet, J.","Crystal growth, structure determination, and magnetism of a new hexagonal rhodate: Ba9 Rh8 O24","Chemical Communications","2001","2001","","1680","1681","","","","","","","","","","","","","","","","","","","","","","has coordinates","173214","2020-10-21","18:00:00","" "7118304","13.473","0.0014","13.473","0.0014","67.359","0.007","90","","90","","120","","10589","1.9","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C41 H57 B N6 S3 Zn -","- C22.9998 H38.9995 B N6 S3 Zn -","- C275.998 H467.994 B12 N72 S36 Zn12 -","12","0.333333","","Kreider-Mueller, Ava; Quinlivan, Patrick J.; Rauch, Michael; Owen, Jonathan S.; Parkin, Gerard","Synthesis, structure and reactivity of [Tm(Bu(t))]ZnH, a monomeric terminal zinc hydride compound in a sulfur-rich coordination environment: access to a heterobimetallic compound.","Chemical communications (Cambridge, England)","2016","52","11","2358","2361","10.1039/c5cc08915h","","","0.71073","MoKα","","0.0496","0.0411","","","0.1274","0.1322","","","","","","1.037","","","","has coordinates,has disorder","175884","2020-10-21","18:00:00","" "7118423","15.7049","0.0009","15.7049","0.0009","53.457","0.004","90","","90","","120","","11418.4","1.3","93","2","93","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C54 H72 N6 O21 S6 Ti3 -","- C54 H72 N6 O21 S6 Ti3 -","- C324 H432 N36 O126 S36 Ti18 -","6","0.166667","","Brennan, Bradley J.; Chen, Jeffrey; Rudshteyn, Benjamin; Chaudhuri, Subhajyoti; Mercado, Brandon Q.; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W.","Molecular titanium-hydroxamate complexes as models for TiO2 surface binding.","Chemical communications (Cambridge, England)","2016","52","14","2972","2975","10.1039/c5cc09857b","","","0.71075","MoKα","","0.1024","0.0744","","","0.1801","0.1986","","","","","","1.037","","","","has coordinates,has disorder","177694","2020-10-21","18:00:00","" "7119615","33.1977","0.0003","33.1977","0.0003","59.4184","0.0008","90","","90","","120","","56711","1.1","120","2","120","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C219 H324 Gd18 N30 O147 -","- C219 H306 Gd18 N30 O147 -","- C1314 H1836 Gd108 N180 O882 -","6","0.166667","","Kai; Wang; Zi-Lu; Chen; Hua-Hong; Zou; Kun; Hu; Hai-Ye; Li; Zhong; Zhang; Wei-Yin; Sun; Fu-Pei; Liang","A single-stranded {Gd18} nanowheel with a symmetric polydentate diacylhydrazone ligand","Chem.Commun.","2016","52","","8297","","","","","0.71073","MoKα","","0.0786","0.0568","","","0.1326","0.1545","","","","","","1.158","","","","has coordinates,has disorder","191776","2020-10-21","18:00:00","" "7121157","12.0967","0.0008","12.0967","0.0008","34.713","0.003","90","","90","","120","","4399","0.6","173","2","173","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C8 H21 N S -","- C8 H20 N S -","- C144 H360 N18 S18 -","18","0.5","","Lau, Nathanael; Zakharov, Lev N.; Pluth, Michael D.","Modular tripodal receptors for the hydrosulfide (HS-) anion.","Chemical communications (Cambridge, England)","2018","54","19","2337","2340","10.1039/c7cc09405a","","","1.54178","CuKα","","0.0589","0.0538","","","0.1577","0.1616","","","","","","1.066","","","","has coordinates","228261","2020-10-21","18:00:00","" "7121563","32.322","0.0008","32.322","0.0008","78.505","0.003","90","","90","","120","","71027","4","93","","93","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C360 H198 Cu12 N18 O60 -","- C360 H198 Cu12 N18 O60 -","- C2160 H1188 Cu72 N108 O360 -","6","0.166667","","Omoto, Kenichiro; Hosono, Nobuhiko; Gochomori, Mika; Albrecht, Ken; Yamamoto, Kimihisa; Kitagawa, Susumu","Anisotropic convergence of dendritic macromolecules facilitated by a heteroleptic metal-organic polyhedron scaffold.","Chemical communications (Cambridge, England)","2018","54","41","5209","5212","10.1039/c8cc02460j","","","0.71073","MoKα","","0.2244","0.0915","","","0.2694","0.3313","","","","","","1.023","","","","has coordinates,has disorder","228078","2020-10-21","18:00:00","" "7121902","14.0021","0.0003","14.0021","0.0003","63.523","0.003","90","","90","","120","","10785.7","0.6","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C66 H44 Cu3 Eu2 N18 O31 -","- C66 H42 Cu3 Eu2 N18 O30 -","- C396 H252 Cu18 Eu12 N108 O180 -","6","0.166667","","Yi, Fei-Yan; Chen, Jinlei; Wang, Shi-Cheng; Gu, Minli; Han, Lei","A heterobimetallic metal-organic framework as a ""turn-on"" sensor toward DMF.","Chemical communications (Cambridge, England)","2018","54","59","8233","8236","10.1039/c8cc03662d","","","0.71073","MoKα","","0.0377","0.0296","","","0.0856","0.0912","","","","","","1.075","","","","has coordinates","228551","2020-10-21","18:00:00","" "7121990","11.0654","0.0011","11.0654","0.0011","87.132","0.009","90","","90","","120","","9239.4","1.6","90","2","90","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C56 H62 Br2 Co3 N12 O8 -","- C56 H61.9992 Br2 Co3 N12 O7.9998 -","- C336 H371.995 Br12 Co18 N72 O47.9988 -","6","0.166667","","Mitsuhashi, Ryoji; Pedersen, Kasper S.; Ueda, Takaaki; Suzuki, Takayoshi; Bendix, Jesper; Mikuriya, Masahiro","Field-induced single-molecule magnet behavior in ideal trigonal antiprismatic cobalt(ii) complexes: precise geometrical control by a hydrogen-bonded rigid metalloligand.","Chemical communications (Cambridge, England)","2018","54","64","8869","8872","10.1039/c8cc04756a","","","0.71073","MoKα","","0.106","0.0766","","","0.136","0.1459","","","","","","1.224","","","","has coordinates,has disorder","228230","2020-10-21","18:00:00","" "7121991","11.169","0.003","11.169","0.003","87.48","0.02","90","","90","","120","","9451","4","90","2","90","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C56 H62 Co3 N14 O14 -","- C56 H59.9994 Co3 N14 O13.9994 -","- C336 H359.996 Co18 N84 O83.9964 -","6","0.166667","","Mitsuhashi, Ryoji; Pedersen, Kasper S.; Ueda, Takaaki; Suzuki, Takayoshi; Bendix, Jesper; Mikuriya, Masahiro","Field-induced single-molecule magnet behavior in ideal trigonal antiprismatic cobalt(ii) complexes: precise geometrical control by a hydrogen-bonded rigid metalloligand.","Chemical communications (Cambridge, England)","2018","54","64","8869","8872","10.1039/c8cc04756a","","","0.71073","MoKα","","0.0641","0.0423","","","0.1033","0.1091","","","","","","1.035","","","","has coordinates,has disorder","228230","2020-10-21","18:00:00","" "7122253","16.321","0.006","16.321","0.006","11.887","0.011","90","","90","","120","","2742","3","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C15 H21 Co Na O6 -","- C15 H21 Co Na O6 -","- C90 H126 Co6 Na6 O36 -","6","0.166667","","Li, Maofan; Yang, Kai; Liu, Jiajie; Hu, Xiaobing; Kong, Defei; Liu, Tongchao; Zhang, Mingjian; Pan, Feng","A heterobimetallic single-source precursor enabled layered oxide cathode for sodium-ion batteries.","Chemical communications (Cambridge, England)","2018","54","76","10714","10717","10.1039/c8cc04205e","","","1.54187","CuKα","","0.1043","0.1043","","","0.3295","0.3295","","","","","","1.037","","","","has coordinates","228141","2020-10-21","18:00:00","" "7123664","16.3987","0.0007","16.3987","0.0007","18.1743","0.0013","90","","90","","120","","4232.6","0.4","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H12 F9 N3 O3 -","- C24 H12 F9 N3 O3 -","- C144 H72 F54 N18 O18 -","6","0.166667","","Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D.","Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere","Chemical Communications","2019","","","","","10.1039/C9CC03339D","","","0.71073","MoKα","","0.0997","0.0781","","","0.2686","0.2951","","","","","","1.119","","","","has coordinates","216029","2020-10-21","18:00:00","" "7125082","44.3099","0.0012","44.3099","0.0012","21.2242","0.0009","90","","90","","120","","36088","2","100.05","0.1","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C144 H126 Br12 Mn18 N24 Na6 O66 -","- C144 H126 Br12 Mn18 N24 Na6 O66 -","- C864 H756 Br72 Mn108 N144 Na36 O396 -","6","0.166667","","Manoli, Maria; Inglis, Ross; Piligkos, Stergios; Yanhua, Lan; Wernsdorfer, Wolfgang; Brechin, Euan K.; Tasiopoulos, Anastasios J.","A hexameric [MnNa6] wheel based on [MnO]7+ sub-units.","Chemical communications (Cambridge, England)","2016","52","87","12829","12832","10.1039/c6cc06644e","","","1.54184","CuKα","","0.0763","0.0688","","","0.2089","0.2175","","","","","","1.109","","","","has coordinates","234496","2020-10-21","18:00:00","" "7127915","16.902","0.002","16.902","0.002","83.022","0.01","90","","90","","120","","20540","4","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C114 H102 Cl24 N36 O18 Re6 -","- C102 H78 Cl12 N36 O18 Re6 -","- C612 H468 Cl72 N216 O108 Re36 -","6","0.166667","","Tadokoro, Makoto; Machida, Hironobu; Toyofuku, Ryuji; Murakami, Megumi; Kamebuchi, Hajime; Isoda, Kyosuke; Kobayashi, Fumiya; Takahashi, Kiyonori; Noro, Shin'ichiro; Nakamura, Takayoshi","Gas sorption of nano-porous supramolecules formed by multi-hydrogen bonded coordination capsules.","Chemical communications (Cambridge, England)","2021","57","18","2249","2252","10.1039/d0cc07869g","","","0.71073","MoKα","","0.0726","0.0659","","","0.1782","0.1816","","","","","","1.115","","","","has coordinates","262505","2021-03-05","01:22:46","" "7129078","18.997","0.003","18.997","0.003","43.447","0.009","90","","90","","120","","13579","4","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C25 H35 Eu I2 N3 O2.5 -","- C25 H35 Eu I2 N3 O2.5 -","- C450 H630 Eu18 I36 N54 O45 -","18","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","A simple one-pot route to stable formamidinatoiodidolanthanoid(III) complexes from lanthanoid metals.","Chemical communications (Cambridge, England)","2021","57","87","11513","11516","10.1039/d1cc04080d","","","0.71073","Synchrotron","","0.0421","0.0339","","","0.0962","0.1009","","","","","","1.063","","","","has coordinates,has disorder","270395","2021-11-06","18:58:55","" "7129160","22.4084","0.0016","22.4084","0.0016","25.911","0.0019","90","","90","","120","","11267.7","1.4","100","1","100","1","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C25 H12 Cl2 F5 Fe N4 -","- C25 H12 Cl2 F5 Fe N4 -","- C450 H216 Cl36 F90 Fe18 N72 -","18","0.5","","Vo, Nhat Tam; Herrero, Christian; Guillot, Régis; Inceoglu, Tanya; Leibl, Winfried; Clémancey, Martin; Dubourdeaux, Patrick; Blondin, Geneviève; Aukauloo, Ally; Sircoglou, Marie","Intercepting a Transient Non-Hemic Pyridine N-Oxide Fe(III) Species Involved in Oxygen Atom Transfer Reactions","Chemical Communications","2021","","","","","10.1039/D1CC04521K","","","0.71073","MoKα","","0.1627","0.0784","","","0.1578","0.1902","","","","","","1.023","","","","has coordinates","270102","2021-10-28","22:07:03","" "7129283","35.0732","0.0003","35.0732","0.0003","39.2104","0.0004","90","","90","","120","","41771.8","0.7","150","","150","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C96.5 H90 Au2 Cu2 N4 O0.5 P4 -","- C96.5 H90 Au2 Cu2 N4 O0.5 P4 -","- C1737 H1620 Au36 Cu36 N72 O9 P72 -","18","0.5","","Dahlen, Milena; Seifert, Tim P.; Lebedkin, Sergei; Gamer, Michael T.; Kappes, Manfred M.; Roesky, Peter W.","Tetra- and hexanuclear string complexes of the coinage metals","Chemical Communications","2021","","","","","10.1039/D1CC06034A","","x-ray","0.71073","MoKα","","0.0322","0.0269","","","0.0756","0.0809","","","","","","1.12","","","","has coordinates,has disorder","270812","2021-11-22","22:58:35","" "7129413","23.159","0.003","23.159","0.003","70.11","0.014","90","","90","","120","","32565","9","103","2","103","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C90 H48 O27 Zn8 -","- C90 H48 O27 Zn8 -","- C1080 H576 O324 Zn96 -","12","0.333333","","Ma, Yunsheng; Tang, Xiaoyan; Chen, Ming; Mishima, Akio; Li, Liangchun; Hori, Akihiro; Wu, Xiaoyu; Ding, Lifeng; Kusaka, Shinpei; Matsuda, Ryotaro","Design of a MOF based on octa-nuclear zinc clusters realizing both thermal stability and structural flexibility","Chemical Communications","2022","","","","","10.1039/D1CC05893B","","","0.71073","MoKα","","0.1521","0.1464","","","0.3804","0.3839","","","","","","1.105","","","","has coordinates","271507","2021-12-17","22:56:44","" "7129414","19.3732","0.0009","19.3732","0.0009","78.804","0.003","90","","90","","120","","25614.2","1.9","103","2","103","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C90 H48 O27 Zn8 -","- C90 H48 O27 Zn8 -","- C1080 H576 O324 Zn96 -","12","0.333333","","Ma, Yunsheng; Tang, Xiaoyan; Chen, Ming; Mishima, Akio; Li, Liangchun; Hori, Akihiro; Wu, Xiaoyu; Ding, Lifeng; Kusaka, Shinpei; Matsuda, Ryotaro","Design of a MOF based on octa-nuclear zinc clusters realizing both thermal stability and structural flexibility","Chemical Communications","2022","","","","","10.1039/D1CC05893B","","","0.71073","MoKα","","0.2269","0.1275","","","0.3326","0.3693","","","","","","1.216","","","","has coordinates","271507","2021-12-17","22:56:45","" "7130065","23.157","0.0003","23.157","0.0003","68.8908","0.0012","90","","90","","120","","31993.1","0.8","120","2","120","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","5,11,17,23,29,35-hexa-t-butyl-37,39,41-trimethoxy-38,40,42-tris(2-(4-(3,5-bis(trifluoromethyl)phenyl)-5-iodo-1,2,3-triazolyl)ethoxy)calix(6)arenehydrate dichloromethane solvate","1,1',1''-(((15,35,55,75,95,115-hexa-tert-butyl-32,72,112-trimethoxy-1,3,5,7,9,11(1,3)-hexabenzenacyclododecaphane-12,52,92-triyl)tris(oxy))tris(ethane-2,1-diyl))tris(4-(3,5-bis(trifluoromethyl)phenyl)-5-iodo-1H-1,2,3-triazole) hydrate dichloromethane solvate","","- C105.72 H109.11 Cl1.44 F18 I3 N9 O6.45 -","- C105.724 H109.115 Cl1.44 F18.0018 I3.0003 N9.0009 O6.4454 -","- C1268.68 H1309.38 Cl17.28 F216.022 I36.0036 N108.011 O77.3448 -","12","0.333333","","Singh, Anurag; Torres-Huerta, Aaron; Vanderlinden, Tom; Renier, Nathan; Martínez-Crespo, Luis; Tumanov, Nikolay; Wouters, Johan; Bartik, Kristin; Jabin, Ivan; Valkenier, Hennie","Calix[6]arenes with halogen bond donor groups as selective and efficient anion transporters","Chemical Communications","2022","","","","","10.1039/D2CC00847E","","","1.54184","CuKα","","0.0758","0.0724","","","0.1766","0.1786","","","","","","1.11","","","","has coordinates,has disorder","275148","2022-05-06","21:51:54","" "7130340","31.163","","31.163","","69.154","","90","","90","","120","","58160.3","","100","","100","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","het-Rh-MOP-1","","- C186 H150 N18 O54 Rh12 -","- C186 H150 N18 O54 Rh12 -","- C1116 H900 N108 O324 Rh72 -","6","0.166667","","Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel","Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers","Chemical Communications","2022","","","","","10.1039/D2CC03220A","","","0.82656","synchrotron","","0.1108","0.1002","","","0.3216","0.3418","","","","","","1.366","","","","has coordinates,has disorder","276785","2022-07-22","22:08:24","" "7130341","31.6843","0.0005","31.6843","0.0005","72.349","0.002","90","","90","","120","","62900","2","100","","100","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C252 H252 N6 O72 Rh12 -","- C252 H252 N6 O72 Rh12 -","- C1512 H1512 N36 O432 Rh72 -","6","0.166667","","Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel","Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers","Chemical Communications","2022","","","","","10.1039/D2CC03220A","","","0.82656","synchrotron","","0.1354","0.1105","","","0.3237","0.3509","","","","","","1.245","","","","has coordinates","276785","2022-07-22","22:08:24","" "7130342","31.48","0.005","31.48","0.005","72.39","0.005","90","","90","","120","","62127","15","100","","100","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C204 H156 N6 O66 Rh12 -","- C204 H156 N6 O66 Rh12 -","- C1224 H936 N36 O396 Rh72 -","6","0.166667","","Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel","Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers","Chemical Communications","2022","","","","","10.1039/D2CC03220A","","","0.82653","synchrotron","","0.1717","0.1427","","","0.3901","0.4292","","","","","","1.567","","","","has coordinates","276785","2022-07-22","22:08:24","" "7130344","31.4131","0.0002","31.4131","0.0002","72.4411","0.0002","90","","90","","120","","61906.6","0.6","100","","100","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C204 H144 N6 O72 Rh12 -","- C204 H144 N6 O72 Rh12 -","- C1224 H864 N36 O432 Rh72 -","6","0.166667","","Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel","Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers","Chemical Communications","2022","","","","","10.1039/D2CC03220A","","","0.82656","synchrotron","","0.124","0.1098","","","0.3219","0.3447","","","","","","1.343","","","","has coordinates","276785","2022-07-22","22:08:24","" "7130346","31.2593","0.0003","31.2593","0.0003","73.3075","0.001","90","","90","","120","","62035.1","1.2","100","","100","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C216 H180 N6 O72 Rh12 -","- C216 H180 N6 O72 Rh12 -","- C1296 H1080 N36 O432 Rh72 -","6","0.166667","","Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel","Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers","Chemical Communications","2022","","","","","10.1039/D2CC03220A","","","0.82656","synchrotron","","0.0846","0.0695","","","0.2399","0.2525","","","","","","1.057","","","","has coordinates","276785","2022-07-22","22:08:24","" "7130772","22.1441","0.0007","22.1441","0.0007","96.226","0.005","90","","90","","120","","40864","3","123","2","123","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C97 H193 Cl3 N48 -","- C97 H193 Cl3 N48 -","- C1164 H2316 Cl36 N576 -","12","0.333333","","Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Butcher, R. J.; Angamuthu, Raja","Triazine based eccentric Piedfort units towards a single source hydrogen bonded network","Chemical Communications","2022","","","","","10.1039/D2CC03327E","","","0.71073","MoKα","","0.1254","0.0724","","","0.177","0.207","","","","","","1.021","","","","has coordinates,has disorder","278196","2022-09-26","21:55:20","" "7130873","14.7047","0.0002","14.7047","0.0002","99.8911","0.001","90","","90","","120","","18705.5","0.4","99.96","0.1","99.96","0.1","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","040(1.230)","","- C60 H54 Cl2 Fe N16 O8 -","- C60 H54 Cl1.9999 Fe N16 O8.002 -","- C720 H648 Cl23.9988 Fe12 N192 O96.024 -","12","0.333333","","Taylor, Lauren L. K.; Andrews, Rebecca; Sung, April C. Y.; Vitorica-Yrezabal, Iñigo J.; Riddell, Imogen A.","Synthesis and characterisation of an integratively self-sorted [Fe4L6]8+ tetrahedron","Chemical Communications","2022","","","","","10.1039/D2CC04624E","","x-ray","1.54184","CuKα","","0.1108","0.1052","","","0.3256","0.3372","","","","","","1.611","","","","has coordinates,has disorder","278628","2022-10-18","21:59:29","" "7131341","31.1921","0.0006","31.1921","0.0006","24.1196","0.0005","90","","90","","120","","20323.1","0.7","223","","223","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C40.41 H44.82 Br4 O4 S4 -","- C36 H36 Br4 O4 S4 -","- C648 H648 Br72 O72 S72 -","18","0.5","","Yamada, Manabu; Yoshizaki, Ruka; Uemura, Fumiya; Katagiri, Hiroshi; Kato, Sumio; Akimoto, Kazuhiko; Hamada, Fumio","Facile separation of cyclic aliphatic and aromatic vapors using crystalline thiacalixarene assemblies with preorganized channels.","Chemical communications (Cambridge, England)","2023","59","18","2604","2607","10.1039/d2cc05647j","","","0.71073","MoKα","","0.0646","0.0423","","","0.0894","0.0984","","","","","","1.026","","","","has coordinates,has disorder","281180","2023-03-01","07:39:54","" "7131342","31.1234","0.0003","31.1234","0.0003","24.1605","0.0002","90","","90","","120","","20268","0.3","223","0.1","223","0.1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C42 H42 Br4 O4 S4 -","- C42 H42 Br4 O4 S4 -","- C756 H756 Br72 O72 S72 -","18","0.5","","Yamada, Manabu; Yoshizaki, Ruka; Uemura, Fumiya; Katagiri, Hiroshi; Kato, Sumio; Akimoto, Kazuhiko; Hamada, Fumio","Facile separation of cyclic aliphatic and aromatic vapors using crystalline thiacalixarene assemblies with preorganized channels.","Chemical communications (Cambridge, England)","2023","59","18","2604","2607","10.1039/d2cc05647j","","x-ray","1.54184","CuKα","","0.0612","0.0563","","","0.154","0.1584","","","","","","1.043","","","","has coordinates,has disorder","281180","2023-03-01","07:40:00","" "7131343","31.2941","0.0005","31.2941","0.0005","24.1681","0.0004","90","","90","","120","","20497.4","0.6","223","","223","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C43 H44 Br4 O4 S4 -","- C36 H36 Br4 O4 S4 -","- C648 H648 Br72 O72 S72 -","18","0.5","","Yamada, Manabu; Yoshizaki, Ruka; Uemura, Fumiya; Katagiri, Hiroshi; Kato, Sumio; Akimoto, Kazuhiko; Hamada, Fumio","Facile separation of cyclic aliphatic and aromatic vapors using crystalline thiacalixarene assemblies with preorganized channels.","Chemical communications (Cambridge, England)","2023","59","18","2604","2607","10.1039/d2cc05647j","","","0.71073","MoKα","","0.0693","0.0449","","","0.1041","0.1177","","","","","","1.029","","","","has coordinates,has disorder","281180","2023-03-01","07:40:03","" "7132239","33.701","0.004","33.701","0.004","106.519","0.012","90","","90","","120","","104772","2","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C621.5 H950.5 Ba16 N44.5 O180.5 -","- C536.718 H560.436 Ba16 N18.906 O174.812 -","- C3220.31 H3362.62 Ba96 N113.436 O1048.87 -","6","0.166667","","Sikligar, Kanishka; Kelley, Steven Paul; Baker, Gary A.; Atwood, Jerry L.","Hierarchical 2D honeycomb-like network from barium-seamed nanocapsules","Chemical Communications","2023","","","","","10.1039/D3CC03374K","","","0.71073","MoKα","","0.2102","0.1337","","","0.313","0.3845","","","","","","1.08","","","","has coordinates,has disorder","287057","2023-10-20","21:58:21","" "7132288","24.09003","0.00014","24.09003","0.00014","79.8295","0.0006","90","","90","","120","","40120.7","0.4","100","0.1","100","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C222 H273 Cl Dy9 N41 O41 P6 S2 -","- C200 H228 Cl Dy9 N32 O36 P6 S2 -","- C1200 H1368 Cl6 Dy54 N192 O216 P36 S12 -","6","0.166667","","Liu, Yanan; Sun, Xiao; Chen, Peiqiong; Li, Xiaojuan; Huang, Fu-Ping; Liu, Hou-Ting; Tian, Haiquan","Double-stranded metallo-triangles: from anion-templated nonanuclear to cation-templated tetraicosanuclear dysprosium clusters","Chemical Communications","2023","","","","","10.1039/D3CC04449A","","","1.54184","CuKα","","0.0562","0.0526","","","0.1635","0.1699","","","","","","0.765","","","","has coordinates","287175","2023-10-31","22:59:07","" "7132289","40.2966","0.0004","40.2966","0.0004","42.4712","0.0005","90","","90","","120","","59725.8","1.1","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C209 H473 Dy24 N24 Na3 O227 P6 -","- C189 H213 Dy24 N24 Na3 O117 P6 -","- C1134 H1278 Dy144 N144 Na18 O702 P36 -","6","0.166667","","Liu, Yanan; Sun, Xiao; Chen, Peiqiong; Li, Xiaojuan; Huang, Fu-Ping; Liu, Hou-Ting; Tian, Haiquan","Double-stranded metallo-triangles: from anion-templated nonanuclear to cation-templated tetraicosanuclear dysprosium clusters","Chemical Communications","2023","","","","","10.1039/D3CC04449A","","","0.71073","MoKα","","0.0566","0.0447","","","0.1385","0.171","","","","","","0.76","","","","has coordinates,has disorder","287175","2023-10-31","22:59:12","" "7151397","14.724","0.005","14.724","0.005","55.8","0.01","90","","90","","120","","10477","5","294.2","","294.2","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C22 H46 Cl7 N6 O2 Pt Zn1.5 -","- C22 H46.0002 Cl6.9999 N6 O2.0001 Pt Zn1.5 -","- C264 H552.002 Cl83.9988 N72 O24.0012 Pt12 Zn18 -","12","0.333333","","Kylie N. Brown; Rodney J. Geue; Trevor W. Hambley; David C. R. Hockless; A. David Rae; Alan M. Sargeson","Specificity in template syntheses of hexaaza-macrobicyclic cages: [Pt(Me5-tricosatrieneN6)]4+ and [Pt(Me5-tricosaneN6)]4+","Org. Biomol. Chem.","2003","1","9","1598","1608","10.1039/b212326f","","","0.7107","MoKα","","0.0622","0.0459","","0.102","","0.088","","","1.932","","","1.964","","","","has coordinates","176453","2020-10-21","18:00:00","" "7200589","25.9571","0.0007","25.9571","0.0007","22.5629","0.0012","90","","90","","120","","13165.5","0.9","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C75 H66 Ag4 As4 F24 N18 O9 -","- C75 H63 Ag4 As4 F24 N18 O9 -","- C450 H378 Ag24 As24 F144 N108 O54 -","6","0.166667","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0393","0.0349","","","0.1022","0.106","","","","","","1.041","","","","has coordinates","180336","2020-10-21","18:00:00","" "7200590","26.315","0.004","26.315","0.004","22.502","0.005","90","","90","","120","","13495","4","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C144 H108 Ag8 F48 N36 O12 Sb8 -","- C144 H108 Ag8 F48 N36 O12 Sb8 -","- C432 H324 Ag24 F144 N108 O36 Sb24 -","3","0.0833333","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0481","0.0416","","","0.1115","0.1184","","","","","","1.021","","","","has coordinates","180336","2020-10-21","18:00:00","" "7200999","26.1227","0.0012","26.1227","0.0012","13.4564","0.0013","90","","90","","120","","7952.4","0.9","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C16 H10 N8 O5 Zn2 -","- C16 H10 N8 O5 Zn2 -","- C288 H180 N144 O90 Zn36 -","18","0.5","","Guo, Huadong; Guo, Xianmin; Wang, Xiao; Li, Guanghua; Guo, Zhiyong; Su, Shengqun; Zhang, Hongjie","Interweaving of single-helical and equal double-helical chains with the same helical axis in a 3D metal‒organic framework","CrystEngComm","2009","11","8","1509","","10.1039/b902809a","","","0.71073","MoKα","","0.0251","0.0227","","","0.0626","0.0637","","","","","","1.112","","","","has coordinates","180340","2020-10-21","18:00:00","" "7201508","37.703","0.008","37.703","0.008","17.32","0.005","90","","90","","120","","21322","9","253","1","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C32 H18 N4 O10 Os3 -","- C32 H18 N4 O10 Os3 -","- C576 H324 N72 O180 Os54 -","18","0.5","","Wong, Janet Shuk-Yee; Gu, Yan-Juan; Szeto, Lap; Wong, Wing-Tak","An open-channel architecture assembly from the [Os3(CO)8{µ-η3-ONCPh(NC5H4)}2] cluster","CrystEngComm","2008","10","1","29","","10.1039/b708080h","","","0.71073","MoKα","","","0.0538","","","","0.0648","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00","" "7201721","22.3534","0.0004","22.3534","0.0003","41.1462","0.0003","90","","90","","120","","17805.2","0.4","233","2","233","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C89.6 H76.4 Cl18 Cu6 N6 O43 -","- C89.6 H24 Cl18 Cu6 N6 O43.02 -","- C537.6 H144 Cl108 Cu36 N36 O258.12 -","6","0.166667","","Roques, Nans; Maspoch, Daniel; Luis, Fernando; Camón, Agustín; Wurst, Klaus; Datcu, Angela; Rovira, Concepció; Ruiz-Molina, Daniel; Veciana, Jaume","A hexacarboxylic open-shell building block: synthesis, structure and magnetism of a three-dimensional metal‒radical framework","Journal of Materials Chemistry","2008","18","1","98","","10.1039/b713705b","","","0.71073","MoKα","","0.0772","0.0656","","","0.1883","0.1973","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7201722","22.4479","0.0005","22.4479","0.0007","41.172","0.0006","90","","90","","120","","17967.4","0.7","233","2","233","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C98 H94 Cl18 Cu6 N6 O40 -","- C98 H74 Cl18 Cu6 N6 O40 -","- C588 H444 Cl108 Cu36 N36 O240 -","6","0.166667","","Roques, Nans; Maspoch, Daniel; Luis, Fernando; Camón, Agustín; Wurst, Klaus; Datcu, Angela; Rovira, Concepció; Ruiz-Molina, Daniel; Veciana, Jaume","A hexacarboxylic open-shell building block: synthesis, structure and magnetism of a three-dimensional metal‒radical framework","Journal of Materials Chemistry","2008","18","1","98","","10.1039/b713705b","","","0.71073","MoKα","","0.0624","0.0506","","","0.1336","0.1409","","","","","","1.074","","","","has coordinates","180348","2020-10-21","18:00:00","" "7201783","20.7677","0.0006","20.7677","0.0006","70.979","0.002","90","","90","","120","","26511.7","1.3","213.1","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C199 H224 N8 O16 -","- C198.99 H222.9 N8 O15.96 -","- C1193.94 H1337.4 N48 O95.76 -","6","0.166667","","Yuge, Tetsuharu; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu","Guest-induced topological polymorphism of pseudo-cubic hydrogen bond networks—robust and adaptable supramolecular synthon","CrystEngComm","2008","10","3","263","","10.1039/b715926a","","","1.54187","CuKα","","","0.1395","","","","0.3228","","","","","","1.9","","","","has coordinates","176453","2020-10-21","18:00:00","" "7201940","12.3426","0.0002","12.3426","0.0002","73.352","0.002","90","","90","","120","","9677.3","0.3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C102 H42 Au2 Cl2 P2 -","- C102 H42 Au2 Cl2 P2 -","- C612 H252 Au12 Cl12 P12 -","6","0.166667","","Schulz-Dobrick, Martin; Jansen, Martin","Intermolecular forces in intercluster compounds consisting of gold clusters and fullerides and in a series of model compounds C60·2(PR3)AuCl","CrystEngComm","2008","10","6","661","","10.1039/b800093j","","","0.71073","MoKα","","0.0297","0.0205","","","0.056","0.0623","","","","","","1.084","","","","has coordinates","180350","2020-10-21","18:00:00","" "7202460","19.6504","0.001","19.6504","0.001","60.258","0.004","90","","90","","120","","20151","2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C116 H136 Cl4 N12 Zn3 -","- C115.248 H134.496 Cl2.496 N12 Zn3 -","- C691.488 H806.976 Cl14.976 N72 Zn18 -","6","0.166667","","Ma, Li; Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Metal complexes of dipyrromethenes linked by rigid spacer arms","CrystEngComm","2008","10","11","1531","","10.1039/b814586e","","","0.71073","MoKα","","0.0657","0.0449","","","0.1271","0.1341","","","","","","1.09","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00","" "7202462","31.053","0.002","31.053","0.002","16.9025","0.0012","90","","90","","120","","14115.3","1.6","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","RH195","","","- C111 H96 N6 Ni3 O18 -","- C111 H96 N6 Ni3 O18 -","- C666 H576 N36 Ni18 O108 -","6","0.166667","","Heck, Romain; Bacsa, John; Warren, John E.; Rosseinsky, Matthew J.; Bradshaw, Darren","Triply interpenetrated (3,4)- and (3,5)-connected binodal metal‒organic networks prepared from 1,3,5-benzenetrisbenzoate and 4,4′-bipyridyl","CrystEngComm","2008","10","11","1687","","10.1039/b815423f","","","0.71073","MoKα","","0.0869","0.0568","","","0.1419","0.1487","","","","","","0.963","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00","" "7202476","27.5164","0.0019","27.5164","0.0019","14.685","0.002","90","","90","","120","","9629.1","1.6","173","2","173","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C60 H96 N12 O18 -","- C60.03 H96 N12 O18 -","- C360.18 H576 N72 O108 -","6","0.166667","","Lee, Ho Yong; Kim, Hae-Jo; Lee, Kyoung Jae; Lah, Myoung Soo; Hong, Jong-In","Formation of a discrete helical assembly and packing pattern through charged hydrogen bonds and van der Waals interactions","CrystEngComm","2007","9","1","78","","10.1039/b610512b","","","0.71073","MoKα","","0.1472","0.0729","","","0.2045","0.2573","","","","","","1.016","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00","" "7203466","18.0645","0.0005","18.0645","0.0005","19.0889","0.0007","90","","90","","120","","5394.7","0.3","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C39 H30 Ag N7 O3 -","- C39 H30 Ag N7 O3 -","- C234 H180 Ag6 N42 O18 -","6","0.166667","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0454","0.0391","","0.1388","0.1288","","","","1.126","","","","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203914","13.192","0.003","13.192","0.003","46.149","0.009","90","","90","","120","","6955","3","150","2","150","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","Co-DAF4","","","- C11.56 H26.43 Al7.35 Co1.65 N1.65 O37.05 P9 -","- C13.2 Al7.35 Co1.65 O37.04 P9 -","- C79.2 Al44.1 Co9.9 O222.24 P54 -","6","0.166667","","Barrett, P. A.; Jones, R. H.","Evidence for ordering of cobalt ions in the microporous solid acid catalyst CoDAF-4 by single crystal X-ray diffraction and resonant X-ray powder diffraction","Physical Chemistry Chemical Physics","2000","2","3","407","","10.1039/a907883e","","","0.71069","MoKα","","0.1128","0.0591","","0.1774","0.1453","","","","0.88","1.226","1.226","","","","","has coordinates","180370","2020-10-21","18:00:00","" "7205706","16.665","0.0005","16.665","0.0005","57.781","0.008","90","","90","","120","","13897","2","291","2","291","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C27 H35 Cu4 I4 O S3 -","- C27 H34.98 Cu4 I4 O S3 -","- C324 H419.76 Cu48 I48 O12 S36 -","12","0.333333","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers","CrystEngComm","2011","13","7","2578","","10.1039/c0ce00685h","","","0.71073","MoKα","","0.0775","0.0481","","","0.1161","0.1226","","","","","","1.005","","","","has coordinates","180388","2020-10-21","18:00:00","" "7205822","15.282","0.002","15.282","0.002","40.377","0.004","90","","90","","120","","8166.3","1.7","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C48 H48 Ag2 N20 O9 -","- C48 H48 Ag2 N20 O9 -","- C288 H288 Ag12 N120 O54 -","6","0.166667","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.0931","0.0704","","","0.1886","0.2109","","","","","","1.013","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00","" "7205827","17.0151","0.0003","17.0151","0.0003","56.2326","0.0017","90","","90","","120","","14099","0.6","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H49 Gd9 N12 O44 -","- C72 H37 Gd9 N12 O44 -","- C432 H222 Gd54 N72 O264 -","6","0.166667","","Yuan, Ning; Sheng, Tianlu; Tian, Chongbin; Hu, Shengmin; Fu, Ruibiao; Zhu, Qilong; Tan, Chunhong; Wu, Xintao","Syntheses, structures and properties of three-dimensional lanthanide frameworks constructed with a trigonal anti-prismatic lanthanide cluster","CrystEngComm","2011","13","12","4244","","10.1039/c0ce00848f","","","0.71073","MoKα","","0.033","0.0325","","","0.0934","0.0938","","","","","","1.004","","","","has coordinates","180389","2020-10-21","18:00:00","" "7205828","17.0615","0.0004","17.0615","0.0004","56.505","0.003","90","","90","","120","","14244.7","0.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H49 Eu9 N12 O44 -","- C72 H37 Eu9 N12 O44 -","- C432 H222 Eu54 N72 O264 -","6","0.166667","","Yuan, Ning; Sheng, Tianlu; Tian, Chongbin; Hu, Shengmin; Fu, Ruibiao; Zhu, Qilong; Tan, Chunhong; Wu, Xintao","Syntheses, structures and properties of three-dimensional lanthanide frameworks constructed with a trigonal anti-prismatic lanthanide cluster","CrystEngComm","2011","13","12","4244","","10.1039/c0ce00848f","","","0.71073","MoKα","","0.0446","0.0432","","","0.1224","0.1237","","","","","","1.004","","","","has coordinates","180389","2020-10-21","18:00:00","" "7205876","16.4547","0.0004","16.4547","0.0004","27.7701","0.0014","90","","90","","120","","6511.6","0.4","273","2","273","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C12 H15 Cu4 I4 N6 -","- C12 H15 Cu4 I4 N6 -","- C144 H180 Cu48 I48 N72 -","12","0.333333","","Cheng, Ying; Xu, Peng; Ding, You-Bang; Yin, Ye-Gao","Stoichiometry-dominated in situ formation of iodocuprate clusters and dimethyl-2,2′-biimidazoles as building units of coordination architectures","CrystEngComm","2011","13","7","2644","","10.1039/c0ce00938e","","","0.71073","MoKα","","0.0389","0.0317","","","0.0732","0.0761","","","","","","0.993","","","","has coordinates","180389","2020-10-21","18:00:00","" "7205946","13.0234","0.0003","13.0234","0.0003","61.997","0.002","90","","90","","120","","9106.5","0.4","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C12 H25 Cu7 I8 N4 -","- C12 H25 Cu7 I8 N4 -","- C144 H300 Cu84 I96 N48 -","12","0.333333","","Song, Jiao; Hou, Yajie; Zhang, Lifang; Fu, Yunlong","Synthesis and photoluminescent properties of two 2D and 3D iodocuprates modified by a protonated ligand","CrystEngComm","2011","13","11","3750","","10.1039/c1ce05020f","","","0.71073","MoKα","","0.0369","0.0327","","","0.103","0.1049","","","","","","1.1","","","","has coordinates","180390","2020-10-21","18:00:00","" "7206147","22.0053","0.0005","22.0053","0.0005","76.102","0.004","90","","90","","120","","31914","2","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C90 H72 Cu4.5 N18 O40 P W12 -","- C90 H48 Cu4.5 N18 O40 P W12 -","- C1080 H576 Cu54 N216 O480 P12 W144 -","12","0.333333","","Xiao, Li-Na; Wang, Yan; Pan, Cheng-Ling; Xu, Jia-Ning; Wang, Tie-Gang; Ding, Hong; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","Three novel supramolecular hybrid compounds based on keggin polytungstates","CrystEngComm","2011","13","15","4878","","10.1039/c0ce00897d","","","0.71073","MoKα","","0.0609","0.0482","","","0.1275","0.1411","","","","","","1.187","","","","has coordinates","176453","2020-10-21","18:00:00","" "7206866","17.837","0.005","17.837","0.005","81.03","0.05","90","","90","","120","","22326","16","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C144 H126 N18 O44 Zn8 -","- C144 H126 N18 O44 Zn8 -","- C864 H756 N108 O264 Zn48 -","6","0.166667","","Rajput, Lalit; Hong, Seunghee; Liu, Xinfang; Oh, Minhak; Kim, Dongwook; Lah, Myoung Soo","An unprecedented twofold interpenetrated layered metal‒organic framework with a MoS2-H topology","CrystEngComm","2011","13","23","6926","","10.1039/c1ce06038d","","","0.71073","MoKα","","0.1608","0.1257","","","0.2593","0.2772","","","","","","1.189","","","","has coordinates","180399","2020-10-21","18:00:00","" "7206893","30.7287","0.0012","30.7287","0.0012","23.757","0.0012","90","","90","","120","","19427.2","1.5","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C240 H264 Br24 O24 S24 -","- C240 H264 Br24 O24 S24 -","- C720 H792 Br72 O72 S72 -","3","0.0833333","","Hamada, Fumio; Yamada, Manabu; Kondo, Yoshihiko; Ito, Shin-ichi; Akiba, Uichi","Channel structure for guest inclusion based on hexameric assembly of thiacalix[4]arene analogue","CrystEngComm","2011","13","23","6920","","10.1039/c1ce05813d","","","0.71075","MoKα","","0.0501","0.0377","","","0.0811","0.0862","","","","","","1.071","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00","" "7207998","13.83","0.02","13.83","0.02","61.5","0.4","90","","90","","120","","10187","7","150","","150","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C18 H48 Cu9 I14 N6 O9 Tb -","- C18 H48 Cu9 I14 N6 O9 Tb -","- C108 H288 Cu54 I84 N36 O54 Tb6 -","6","0.166667","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.71069","MoKα","","0.1156","0.0632","","0.1363","0.0709","0.0671","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00","" "7208239","10.6908","0.0003","10.6908","0.0003","92.65","0.002","90","","90","","120","","9170.6","0.4","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C54 H56 Cd Cl2 N18 O12 -","- C54 H48 Cd Cl2 N18 O12 -","- C324 H288 Cd6 Cl12 N108 O72 -","6","0.166667","","Wang, Nan; Ma, Jian-Gong; Shi, Wei; Cheng, Peng","Two novel Cd(ii) complexes with unprecedented four- and six-fold interpenetration","CrystEngComm","2012","14","16","5198","","10.1039/c2ce25282a","","","0.71073","MoKα","","0.0562","0.0491","","","0.1529","0.161","","","","","","1.103","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00","" "7208282","43.648","0.005","43.648","0.005","17.371","0.005","90","","90","","120","","28661","9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C49 H69 N7 O22 Zn3 -","- C27 H9 O18 Zn3 -","- C486 H162 O324 Zn54 -","18","0.5","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.0933","0.0604","","","0.1923","0.2218","","","","","","1.064","","","","has coordinates","180413","2020-10-21","18:00:00","" "7209472","4.6204","","4.6204","","14.509","","90","","90","","120","","268.242","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","V B O3","","- B O3 V -","- B O3 V -","- B6 O18 V6 -","6","0.166667","","Huppertz, H.; Haberer, A.","High-pressure synthesis and crystal structure of the vanadium orthoborate V B O3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2008","63","","713","717","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7209473","4.921","","4.921","","16.305","","90","","90","","120","","341.947","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Yb (B O3)","","- B O3 Yb -","- B O3 Yb -","- B6 O18 Yb6 -","6","0.166667","","Huppertz, H.","Multianvil pressure synthesis and crystal structure of beta-(Yb B O3)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","697","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7210873","18.4215","0.0003","18.4215","0.0003","47.8464","0.0014","90","","90","","120","","14061.4","0.5","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H10 Cd N O5.5 -","- C14 H9 Cd N O5.49667 -","- C504 H324 Cd36 N36 O197.88 -","36","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71073","MoKα","","0.0681","0.0417","","","0.1038","0.1209","","","","","","1.127","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7210874","18.263","0.0014","18.263","0.0014","47.393","0.003","90","","90","","120","","13689.5","1.7","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H10 Mn N O5.5 -","- C14 H9 Mn N O5.5 -","- C504 H324 Mn36 N36 O198 -","36","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.1583","0.0781","","","0.1788","0.2293","","","","","","1.062","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7214217","4.963","0.001","4.963","0.001","16.957","0.006","90","","90","","120","","361.72","0.16","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","Magnesium calcite","- C Ca0.94 Mg0.06 O3 -","- C Ca0.94 Mg0.06 O3 -","- C6 Ca5.64 Mg0.36 O18 -","6","0.166667","","Falini, G.; Fermani, S.; Gazzano, M.; Ripamonti, A.","Structure and morphology of synthetic magnesium calcite","Journal of Materials Chemistry","1998","8","","1061","1065","10.1039/a707893e","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7214218","4.941","0.002","4.941","0.002","16.854","0.002","90","","90","","120","","356.3","0.2","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Magnesium Calcium Carbonate (.1/.9/1)","Calcite, magnesian","- C Ca0.9 Mg0.1 O3 -","- C Ca0.9 Mg0.1 O3 -","- C6 Ca5.4 Mg0.6 O18 -","6","0.166667","","Althoff, P.L.","Structural refinements of dolomite and a magnesian calcite and implications for dolomite formation in the marine environment","Journal of Materials Chemistry","1977","62","","772","783","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7214374","12.7399","0.0008","12.7399","0.0008","62.039","0.005","90","","90","","120","","8720.2","1","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H34 Cl4 N4 O3 -","- C24 H34 Cl4 N4 O3 -","- C288 H408 Cl48 N48 O36 -","12","0.333333","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0715","0.0478","","","0.1313","0.1497","","","","","","1.004","","","","has coordinates","180474","2020-10-21","18:00:00","" "7214638","4.4201","0.0004","4.4201","0.0002","37.487","0.003","90","0.005","90","0.006","120","0.007","634.27","0.09","291.4","","291.4","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- B Be2 F2 K O3 -","- B Be2 F2 K O3 -","- B6 Be12 F12 K6 O18 -","6","0.166667","","Sang, Yuanhua; Yu, Dehong; Avdeev, Maxim; Piltz, Ross; Sharma, Neeraj; Ye, Ning; Liu, Hong; Wang, Jiyang","X-ray and neutron diffraction studies of flux and hydrothermally grown nonlinear optical material KBe2BO3F2","CrystEngComm","2012","14","18","6079","","10.1039/c2ce25828e","","","0.7107","MoKα","","0.0366","0.0312","","","0.0411","0.0417","","","","2.5","2.5","2.39","","","","has coordinates","176432","2020-10-21","18:00:00","" "7215072","8.3544","0.0005","8.3544","0.0005","22.8701","0.0016","90","","90","","120","","1382.39","0.15","190","2","190","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H3 Mn N0.99 O6 -","- C30 H18 Mn6 N5.94 O36 -","6","0.166667","","Sánchez-Andújar, M.; Gómez-Aguirre, L. C.; Pato Doldán, B.; Yáñez-Vilar, S.; Artiaga, R.; Llamas-Saiz, A. L.; Manna, R. S.; Schnelle, F.; Lang, M.; Ritter, F.; Haghighirad, A. A.; Señarís-Rodríguez, M. A.","First-order structural transition in the multiferroic perovskite-like formate [(CH3)2NH2][Mn(HCOO)3]","CrystEngComm","2014","16","17","3558","","10.1039/c3ce42411a","","","0.71073","MoKα","","0.0426","0.0371","","","0.1036","0.1066","","","","","","1.2","","","","has coordinates","180481","2020-10-21","18:00:00","" "7215394","23.8364","0.0008","23.8364","0.0008","26.589","0.002","90","","90","","120","","13083.2","1.2","291","2","291","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C72 H54 Cl6 N18 O25 S6 Zn3 -","- C72 H54 Cl6 N18 O25 S6 Zn3 -","- C432 H324 Cl36 N108 O150 S36 Zn18 -","6","0.166667","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0647","0.0407","","","0.1004","0.1071","","","","","","0.935","","","","has coordinates","180484","2020-10-21","18:00:00","" "7215459","18.431","0.0017","18.431","0.0017","69.911","0.015","90","","90","","120","","20567","5","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H8 Cu N2 O5 -","- C14 H8 Cu N2 O5 -","- C504 H288 Cu36 N72 O180 -","36","1","","Du, Liting; Yang, Shilong; Xu, Li; Min, Huihua; Zheng, Baishu","Highly selective carbon dioxide uptake by a microporous kgm-pillared metal‒organic framework with acylamide groups","CrystEngComm","2014","16","25","5520","","10.1039/c4ce00530a","","","0.71073","MoKα","","0.0744","0.0642","","","0.1905","0.1993","","","","","","1.183","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00","" "7215659","20.0402","0.0006","20.0402","0.0006","41.6541","0.0013","90","","90","","120","","14487.5","0.8","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C9 H9 Cu N O5 S -","- C9 H9 Cu N O5 S -","- C324 H324 Cu36 N36 O180 S36 -","36","1","","Yang, Jie; Lutz, Martin; Grzech, Anna; Mulder, Fokko M.; Dingemans, Theo J.","Copper-based coordination polymers from thiophene and furan dicarboxylates with high isosteric heats of hydrogen adsorption","CrystEngComm","2014","16","23","5121","","10.1039/c4ce00145a","","","0.71073","MoKα","","0.0473","0.0367","","","0.1204","0.1281","","","","","","1.141","","","","has coordinates,has disorder","180487","2020-10-21","18:00:00","" "7216232","17.5405","0.0009","17.5405","0.0009","76.087","0.003","90","","90","","120","","20273.3","1.7","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C48 H12 Co9 Li3 N36 O54 -","- C48 H12 Co9 Li3 N36 O54 -","- C288 H72 Co54 Li18 N216 O324 -","6","0.166667","","Zou, Ji-Yong; Shi, Wei; Zhang, Jing-Ya; He, Yan-Fei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Alkaline cation directed structural diversity of cubic-cage-based cobalt(ii) metal‒organic frameworks: from pcu to bct net","CrystEngComm","2014","16","30","7133","","10.1039/C4CE00597J","","","0.71073","MoKα","","0.1077","0.062","","","0.1614","0.1806","","","","","","0.952","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00","" "7216233","17.6972","0.0011","17.6972","0.0011","76.397","0.005","90","","90","","120","","20721","2","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C48 H12 Co9 Li3 N36 O54 -","- C48 H12 Co9 Li3 N36 O54 -","- C288 H72 Co54 Li18 N216 O324 -","6","0.166667","","Zou, Ji-Yong; Shi, Wei; Zhang, Jing-Ya; He, Yan-Fei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Alkaline cation directed structural diversity of cubic-cage-based cobalt(ii) metal‒organic frameworks: from pcu to bct net","CrystEngComm","2014","16","30","7133","","10.1039/C4CE00597J","","","0.71073","MoKα","","0.1139","0.0553","","","0.1475","0.168","","","","","","0.903","","","","has coordinates","180493","2020-10-21","18:00:00","" "7216826","44.006","0.001","44.006","0.001","28.267","0.001","90","","90","","120","","47406","2","85","2","85","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C40 H46 I N11 O10 Zn -","- C40 H22 I N11 O10 Zn -","- C1440 H792 I36 N396 O360 Zn36 -","36","1","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.689","synchrotron","","0.161","0.124","","","0.3556","0.3849","","","","","","1.365","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00","" "7217009","16.821","0.0006","16.821","0.0006","55.396","0.002","90","","90","","120","","13574.2","0.8","140","2","140","2","","","","","","","synthesis","6","R -3 c :H","-R 3 2""c","167","[Fe3La(tea)2(dpm)6]","","","- C78 H138 Fe3 La N2 O18 -","- C78 H138 Fe3 La N2 O18 -","- C468 H828 Fe18 La6 N12 O108 -","6","0.166667","","Rigamonti, Luca; Cornia, Andrea; Nava, Andrea; Perfetti, Mauro; Boulon, Marie-Emmanuelle; Barra, Anne-Laure; Zhong, Xiaoliang; Park, Kyungwha; Sessoli, Roberta","Mapping of single-site magnetic anisotropy tensors in weakly coupled spin clusters by torque magnetometry.","Physical chemistry chemical physics : PCCP","2014","16","32","17220","17230","10.1039/c4cp02462a","","","0.71073","MoKα","","0.0477","0.0375","","","0.101","0.1101","","","","","","1.075","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00","" "7217764","18.5127","0.0003","18.5127","0.0003","78.4908","0.0018","90","","90","","120","","23296.4","0.8","123","2","123","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C52 H68 N7.33 O16.67 Zn2 -","- C34.0004 H14 N1.33327 O10.6666 Zn2 -","- C612.007 H252 N23.9988 O191.999 Zn36 -","18","0.5","","Konstas, Kristina; Taupitz, Kim F.; Turner, David R.; Kennedy, Danielle F.; Hill, Matthew R.","A new family of zinc metal‒organic framework polymorphs containing anthracene tetracarboxylates","CrystEngComm","2014","16","38","8937","","10.1039/C4CE00385C","","","1.5418","CuKα","","0.1045","0.0922","","","0.216","0.2281","","","","","","1.028","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00","" "7218909","26.655","0.0004","26.655","0.0004","85.13","0.003","90","","90","","120","","52381","2","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C276 H198 N42 O86 Zn23 -","- C276 H198 N42 O86 Zn23 -","- C1656 H1188 N252 O516 Zn138 -","6","0.166667","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.103","0.0798","","","0.2348","0.255","","","","","","1.225","","","","has coordinates","180520","2020-10-21","18:00:00","" "7219438","28.9962","0.0009","28.9962","0.0009","32.8782","0.0016","90","","90","","120","","23939.8","1.6","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C16 H32 N10 Ni2 O3 -","- C16 H26 N10 Ni2 -","- C576 H936 N360 Ni72 -","36","1","","Jiang, Xiang; Tao, Bo; Yu, Li Xiao; Wang, Hong Yun; Xia, Hua","Syntheses, crystal structures and properties of three cyano-bridged one-dimensional coordination polymers based on macrocyclic metallic tectons","RSC Adv.","2015","","","","","10.1039/C4RA16545D","","","0.71073","MoKα","","0.0913","0.0516","","","0.1305","0.1429","","","","","","1.043","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00","" "7219785","31.07","0.005","31.07","0.005","31.862","0.005","90","0.005","90","0.005","120","0.005","26637","7","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C36 H30 Cd Cl2 N12 O8 -","- C36 H30 Cd Cl2 N12 O8 -","- C648 H540 Cd18 Cl36 N216 O144 -","18","0.5","","Manna, Biplab; Desai, Aamod V.; Kumar, Naveen; Karmakar, Avishek; Ghosh, Sujit K.","Single-crystal-to-single-crystal transformation of an anion exchangeable dynamic metal‒organic framework","CrystEngComm","2015","17","46","8796","","10.1039/C5CE00139K","","","0.71069","MoKα","","0.0664","0.0622","","","0.1793","0.183","","","","","","1.049","","","","has coordinates","180528","2020-10-21","18:00:00","" "7220972","38.012","0.007","38.012","0.007","29.603","0.012","90","","90","","120","","37043","18","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C60 H46 Co3 N6 O14 -","- C60 H46 Co3 N6 O14 -","- C1080 H828 Co54 N108 O252 -","18","0.5","","Zhou, Ting-Ting; Xuan, Zhi-Hong; Zhang, Da-Shuai; Chang, Ze; Zhang, Ying-Hui; Bu, Xian-He","A unique “cage-in-cage” metal‒organic framework based on nested cages from interpenetrated networks","CrystEngComm","2015","17","31","5884","","10.1039/C5CE01047K","","","0.71073","MoKα","","0.0898","0.0627","","","0.1647","0.1831","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00","" "7221024","5.4979","","5.4979","","13.3584","","90","","90","","120","","349.686","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.85 Na0.09 K0.06) Mn O3","","- K0.06 La0.85 Mn Na0.09 O3 -","- K0.06 La0.85 Mn Na0.09 O3 -","- K0.36 La5.1 Mn6 Na0.54 O18 -","6","0.166667","","El-Fadli, Z.; Coret, E.; Sapina, F.; Martinez, E.; Beltran, A.; Lloret, F.; Beltran, D.","Low temperature synthesis, structure and magnetic properties of La0.85 (Na1-x Kx)0.15 Mn O3 perovskites: the role of A cation size disparity in the electronic properties of mixed-valence manganates","Journal of Materials Chemistry","1999","9","","1793","1799","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221025","5.5036","","5.5036","","13.3945","","90","","90","","120","","351.359","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.85 K0.15) Mn O3","","- K0.15 La0.85 Mn O3 -","- K0.15 La0.85 Mn O3 -","- K0.9 La5.1 Mn6 O18 -","6","0.166667","","El-Fadli, Z.; Sapina, F.; Coret, E.; Martinez, E.; Beltran, A.; Beltran, D.; Lloret, F.","Low temperature synthesis, structure and magnetic properties of La0.85 (Na1-x Kx)0.15 Mn O3 perovskites: the role of A cation size disparity in the electronic properties of mixed-valence manganates","Journal of Materials Chemistry","1999","9","","1793","1799","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221133","17.6212","0.0004","17.6212","0.0004","71.599","0.002","90","","90","","120","","19253.4","0.8","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C90 H152 Cd7 I12 N22 O8 -","- C90 H150 Cd7 I12 N22 O8 -","- C540 H900 Cd42 I72 N132 O48 -","6","0.166667","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.0337","0.0308","","","0.0738","0.0754","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00","" "7221286","8.4435","","8.4435","","21.636","","90","","90","","120","","1335.83","","","","","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","(Li0.72 Na0.88) (Ti1.4 Al0.6) (P O4)3","","- Al0.6 Li0.72 Na0.88 O12 P3 Ti1.4 -","- Al0.6 Li0.72 Na0.88 O12 P3 Ti1.4 -","- Al3.6 Li4.32 Na5.28 O72 P18 Ti8.4 -","6","0.166667","","Mouahid, F.E.; Aranda, M.A.G.; Maldonado-Manso, P.; Zahir, M.; Losilla, E.R.; Bruque, S.; Rivera, A.; Santamaria, J.; Leon, C.","Na-Li exchange of Na1+x Ti2-x Alx (P O4)3 (0.6 <= x <= 0.9) NASICON series: a Rietveld and impedance study","Journal of Materials Chemistry","2001","11","","3258","3263","","","","","","","","","","","","","","","","","","","","","","has coordinates","147162","2020-10-21","18:00:00","" "7221287","8.4203","","8.4203","","21.592","","90","","90","","120","","1325.8","","","","","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","(Li1.09 Na0.71) (Ti1.2 Al0.8) (P O4)3","","- Al0.8 Li1.09 Na0.71 O12 P3 Ti1.2 -","- Al0.8 Li1.091 Na0.71 O12 P3 Ti1.2 -","- Al4.8 Li6.546 Na4.26 O72 P18 Ti7.2 -","6","0.166667","","Mouahid, F.E.; Bruque, S.; Zahir, M.; Maldonado-Manso, P.; Losilla, E.R.; Aranda, M.A.G.; Rivera, A.; Santamaria, J.; Leon, C.","Na-Li exchange of Na1+x Ti2-x Alx (P O4)3 (0.6 <= x <= 0.9) NASICONseries: a Rietveld and impedance study","Journal of Materials Chemistry","2001","11","","3258","3263","","","","","","","","","","","","","","","","","","","","","","has coordinates","147164","2020-10-21","18:00:00","" "7221288","8.4001","","8.4001","","21.55","","90","","90","","120","","1316.88","","","","","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","(Li1.45 Na0.45) (Ti1.1 Al0.9) (P O4)3","","- Al0.9 Li1.45 Na0.45 O12 P3 Ti1.1 -","- Al0.9 Li1.45 Na0.45 O12 P3 Ti1.1 -","- Al5.4 Li8.7 Na2.7 O72 P18 Ti6.6 -","6","0.166667","","Mouahid, F.E.; Maldonado-Manso, P.; Zahir, M.; Losilla, E.R.; Bruque, S.; Santamaria, J.; Aranda, M.A.G.; Rivera, A.; Leon, C.","Na-Li exchange of Na1+x Ti2-x Alx (P O4)3 (0.6 <= x <= 0.9) NASICONseries: a Rietveld and impedance study","Journal of Materials Chemistry","2001","11","","3258","3263","","","","","","","","","","","","","","","","","","","","","","has coordinates","147166","2020-10-21","18:00:00","" "7221301","5.472","","5.472","","13.204","","90","","90","","120","","342.396","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","La (Ni0.95 Mo0.05) O3","","- La Mo0.05 Ni0.95 O3 -","- La Mo0.05 Ni0.95 O3 -","- La6 Mo0.3 Ni5.7 O18 -","6","0.166667","","Rodriguez, E.; Alvarez, I.; Lopez, M.L.; Veiga, M.L.; Martinez, J.L.; Pico, C.","Structural characterization and physical properties of La Ni1-x MoxO3 (0.05 <= x <= 0.20)","Journal of Materials Chemistry","2001","11","","673","677","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221333","7.858","","7.858","","24.956","","90","","90","","120","","1334.53","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Al (H2 P O4)3","","- Al H6 O12 P3 -","- Al H6 O12 P3 -","- Al6 H36 O72 P18 -","6","0.166667","","Brodalla, D.; Kniep, R.; Mootz, D.","A new form of Al (H2 P O4)3 with three-dimensional Al-O-P crosslinking","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1981","36","","907","909","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221366","6.561","","6.561","","17.57","","90","","90","","120","","655.002","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- In2 S3 -","- In2 S3 -","- In12 S18 -","6","0.166667","","Range, K.J.; Zabel, M.","epsilon-In2 S3, eine Hochdruckmodifikation mit Korundstruktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","463","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "7221690","18.653","0.003","18.653","0.003","65.066","0.013","90","","90","","120","","19606","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R -3 c :H","-R 3 2""c","167","Zn4OCPMA_hexane","","","- C63 H75 N3 O13 Zn4 -","- C63 H75 N3 O13 Zn4 -","- C756 H900 N36 O156 Zn48 -","12","0.333333","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.67999","synchrotron","","0.0819","0.0575","","","0.1516","0.1753","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00","" "7221691","18.118","0.003","18.118","0.003","67.542","0.014","90","","90","","120","","19201","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R -3 c :H","-R 3 2""c","167","Zn4OCPMA_MeOH","","","- C54 H77 N3 O26 Zn4 -","- C51 H57 N3 O20 Zn4 -","- C612 H684 N36 O240 Zn48 -","12","0.333333","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.64999","synchrotron","","0.1447","0.1078","","","0.3161","0.3361","","","","","","1.173","","","","has coordinates","176428","2020-10-21","18:00:00","" "7221757","15.455","0.005","15.455","0.005","56.103","0.004","90","","90","","120","","11605","5","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","H[Na6(H2O)12Ce2(dipic)6(NO3)]?18H2O","","- C42 H79 Ce2 N7 Na6 O57 -","- C42 H18 Ce2 N7 Na6 O57 -","- C252 H108 Ce12 N42 Na36 O342 -","6","0.166667","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na‒Ln‒dipic system ‒ encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.0579","0.055","","","0.172","0.1766","","","","","","1.055","","","","has coordinates","171066","2020-10-21","18:00:00","" "7221758","15.4376","0.0016","15.4376","0.0016","56.468","0.005","90","","90","","120","","11654","2","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","H[Na6(H2O)12Pr2(dipic)6(NO3)]?18H2O","","- C42 H79 N7 Na6 O57 Pr2 -","- C42 H18 N7 Na6 O57 Pr2 -","- C252 H108 N42 Na36 O342 Pr12 -","6","0.166667","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na‒Ln‒dipic system ‒ encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.0757","0.0717","","","0.1955","0.1999","","","","","","1.097","","","","has coordinates","171066","2020-10-21","18:00:00","" "7221759","15.403","0.0007","15.403","0.0007","56.461","0.005","90","","90","","120","","11600.9","1.3","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","H[Na6(H2O)12Nd2(dipic)6(NO3)]?18H2O","","- C42 H79 N7 Na6 Nd2 O57 -","- C42 H18 N7 Na6 Nd2 O57 -","- C252 H108 N42 Na36 Nd12 O342 -","6","0.166667","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na‒Ln‒dipic system ‒ encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.0733","0.0694","","","0.1882","0.1916","","","","","","1.066","","","","has coordinates","171066","2020-10-21","18:00:00","" "7221760","15.4098","0.0006","15.4098","0.0006","55.88","0.004","90","","90","","120","","11491.6","1","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","[Na6(H2O)12Ce2(dipic)6]?21H2O","","- C21 H45 Ce N3 Na3 O30 -","- C21 H9 Ce N3 Na3 O31.5 -","- C252 H108 Ce12 N36 Na36 O378 -","12","0.333333","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na–Ln–dipic system – encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.1121","0.1037","","","0.3783","0.4227","","","","","","2.066","","","","has coordinates","287753","2023-11-23","09:34:45","" "7222155","8.511","","8.511","","20.843","","90","","90","","120","","1307.53","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Li Ti2 (P O4)3","","- Li O12 P3 Ti2 -","- Li O12 P3 Ti2 -","- Li6 O72 P18 Ti12 -","6","0.166667","","Aatiq, A.; Menetrier, M.; Croguennec, L.; Suard, E.; Delmas, C.","On the structure of Li3 Ti2 (P O4)3","Journal of Materials Chemistry","2002","12","","2971","2978","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222420","5.5348","","5.5348","","13.3771","","90","","90","","120","","354.892","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.8 Sr0.2) ((Mn0.8 Fe0.2) O3)","","- Fe0.2 La0.8 Mn0.8 O3 Sr0.2 -","- Fe0.2 La0.8 Mn0.8 O3 Sr0.2 -","- Fe1.2 La4.8 Mn4.8 O18 Sr1.2 -","6","0.166667","","Boerger, A.; Langbein, H.","Zur Kenntnis rhombohedrischer Perowskite (La, Sr) (Mn, Fe) O3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","1079","1086","","","","","","","","","","","","","","","","","","","","","","has coordinates","160120","2020-10-21","18:00:00","" "7222421","5.5151","","5.5151","","13.3701","","90","","90","","120","","352.186","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.7 Sr0.3) ((Mn0.7 Fe0.3) O3)","","- Fe0.3 La0.7 Mn0.7 O3 Sr0.3 -","- Fe0.3 La0.7 Mn0.7 O3 Sr0.3 -","- Fe1.8 La4.2 Mn4.2 O18 Sr1.8 -","6","0.166667","","Boerger, A.; Langbein, H.","Zur Kenntnis rhombohedrischer Perowskite (La, Sr) (Mn, Fe) O3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","1079","1086","","","","","","","","","","","","","","","","","","","","","","has coordinates","160123","2020-10-21","18:00:00","" "7222422","5.496","","5.496","","13.3625","","90","","90","","120","","349.552","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.6 Sr0.4) ((Mn0.6 Fe0.4) O3)","","- Fe0.4 La0.6 Mn0.6 O3 Sr0.4 -","- Fe0.4 La0.6 Mn0.6 O3 Sr0.4 -","- Fe2.4 La3.6 Mn3.6 O18 Sr2.4 -","6","0.166667","","Boerger, A.; Langbein, H.","Zur Kenntnis rhombohedrischer Perowskite (La, Sr) (Mn, Fe) O3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","1079","1086","","","","","","","","","","","","","","","","","","","","","","has coordinates","160126","2020-10-21","18:00:00","" "7222423","5.4814","","5.4814","","13.3622","","90","","90","","120","","347.69","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.5 Sr0.5) ((Mn0.5 Fe0.5) O3)","","- Fe0.5 La0.5 Mn0.5 O3 Sr0.5 -","- Fe0.5 La0.5 Mn0.5 O3 Sr0.5 -","- Fe3 La3 Mn3 O18 Sr3 -","6","0.166667","","Boerger, A.; Langbein, H.","Zur Kenntnis rhombohedrischer Perowskite (La, Sr) (Mn, Fe) O3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","1079","1086","","","","","","","","","","","","","","","","","","","","","","has coordinates","160129","2020-10-21","18:00:00","" "7222584","16.07","","16.07","","8.4488","","90","","90","","120","","1889.55","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Ir3 Mg13 -","- Ir3 Mg13 -","- Ir18 Mg78 -","6","0.166667","","Hlukhyy, V.; Rodewald, U.C.; Poettgen, R.; Hoffmann, R.D.","Synthesis and structure of Rh Mg3 and Ir3 Mg13","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","251","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "7222632","13.247","","13.247","","16.58","","90","","90","","120","","2519.71","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Cs6 Cl4 O","","- Cl4 Cs6 O -","- Cl4 Cs6 O -","- Cl24 Cs36 O6 -","6","0.166667","","Mudring, A.V.; Jansen, M.","Darstellung und Kristallstruktur von Cs6 Cl4 O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","209","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222940","7.4181","","7.4181","","16.3918","","90","","90","","120","","781.165","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","K3 F (C O3)","","- C F K3 O3 -","- C F K3 O3 -","- C6 F6 K18 O18 -","6","0.166667","","Arlt, J.; Jansen, M.","Einkristallzuechtung und Roentgenstrukturanalyse der Fluoridcarbonate K3CO3F und Rb3CO3F","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1990","45","","943","946","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222941","7.761","","7.761","","17.412","","90","","90","","120","","908.269","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Rb3 F (C O3)","","- C F O3 Rb3 -","- C F O3 Rb3 -","- C6 F6 O18 Rb18 -","6","0.166667","","Arlt, J.; Jansen, M.","Einkristallzuechtung und Roentgenstrukturanalyse der Fluoridcarbonate K3CO3F und Rb3CO3F","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1990","45","","943","946","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222960","5.495","","5.495","","13.234","","90","","90","","120","","346.065","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.8 Sr0.2) Cu O2.64","","- Cu La0.8 O2.64 Sr0.2 -","- Cu La0.8 O2.64 Sr0.2 -","- Cu6 La4.8 O15.84 Sr1.2 -","6","0.166667","","Currie, D.B.; Weller, M.T.","Structure of La0.8 Sr0.2 Cu O2.64 Powder neutron diffraction on very small sample volumes","Journal of Materials Chemistry","1991","1","","295","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7223487","15.1612","0.0016","15.1612","0.0016","58.187","0.009","90","","90","","120","","11583","2","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H48 Ag3 Fe2 I7 N12 -","- C72 H48 Ag3 Fe2 I7 N12 -","- C432 H288 Ag18 Fe12 I42 N72 -","6","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0403","0.0375","","","0.1486","0.1518","","","","","","1.068","","","","has coordinates","175951","2020-10-21","18:00:00","" "7223488","15.1789","0.0004","15.1789","0.0004","58.192","0.004","90","","90","","120","","11611.1","0.9","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H48 Ag3 I7 Mn2 N12 -","- C72 H48 Ag3 I7 Mn2 N12 -","- C432 H288 Ag18 I42 Mn12 N72 -","6","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0483","0.0435","","","0.1445","0.1493","","","","","","1.055","","","","has coordinates","175951","2020-10-21","18:00:00","" "7223687","7.699","","7.699","","12.421","","90","","90","","120","","637.611","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(D2 O)2 (D F)3","","- D7 F3 O2 -","- D7 F3 O2 -","- D42 F18 O12 -","6","0.166667","","Poll, W.; Lohmeyer, M.; Mootz, D.","Zum System Wasser-Fluorwasserstoff: Phasenverhalten und Kristallstruktur von 2D2O3DF, einer deuterierten Verbindung ohne protoniertes Analogon","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1989","44","","1359","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","172372","2020-10-21","18:00:00","" "7224187","38.284","0.005","38.284","0.005","11.17","0.002","90","","90","","120","","14178","4","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C12 H40 Ge2 N8 O2 S6 V2 -","- C12 H34 Ge2 N8 O2 S6 V2 -","- C216 H612 Ge36 N144 O36 S108 V36 -","18","0.5","","Qian, Li-Wen; Zhao, Xiao-Wei; Su, Hu-Chao; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie","Supramolecular hexagonal nano tubes assembled by vanadium diamine complexes with thiogermanates","RSC Adv.","2016","6","20","16268","","10.1039/C5RA27088J","","","0.71073","MoKα","","0.0894","0.0876","","","0.1568","0.1577","","","","","","1.11","","","","has coordinates,has disorder","176324","2020-10-21","18:00:00","" "7224310","14.2909","0.0005","14.2909","0.0005","41.5072","0.0016","90","","90","","120","","7341.3","0.5","139.96","0.18","139.96","0.18","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C8 H14 Fe2 N O12 -","- C8.002 H14.006 Fe2 N1.001 O12 -","- C144.036 H252.108 Fe36 N18.018 O216 -","18","0.5","","Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.","Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.","Physical chemistry chemical physics : PCCP","2016","18","12","8462","8467","10.1039/c6cp00064a","","x-ray","0.71073","MoKα","","0.0367","0.0258","","","0.0651","0.0691","","","","","","1.099","","","","has coordinates,has disorder","182801","2020-10-21","18:00:00","" "7224312","14.2916","0.0005","14.2916","0.0005","41.4795","0.0017","90","","90","","120","","7337.1","0.5","100","0.3","100","0.3","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C8 H14 Fe2 N O12 -","- C7.998 H13.994 Fe2 N0.999 O12 -","- C143.964 H251.892 Fe36 N17.982 O216 -","18","0.5","","Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.","Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.","Physical chemistry chemical physics : PCCP","2016","18","12","8462","8467","10.1039/c6cp00064a","","x-ray","0.71073","MoKα","","0.0347","0.0246","","","0.0656","0.0704","","","","","","0.984","","","","has coordinates,has disorder","182801","2020-10-21","18:00:00","" "7224313","14.2991","0.0005","14.2991","0.0005","41.5361","0.0013","90","","90","","120","","7354.8","0.4","149.97","0.18","149.97","0.18","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C8 H14 Fe2 N O12 -","- C8.002 H14.006 Fe2 N1.001 O12 -","- C144.036 H252.108 Fe36 N18.018 O216 -","18","0.5","","Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.","Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.","Physical chemistry chemical physics : PCCP","2016","18","12","8462","8467","10.1039/c6cp00064a","","x-ray","0.71073","MoKα","","0.0429","0.0297","","","0.0734","0.0778","","","","","","1.174","","","","has coordinates,has disorder","182801","2020-10-21","18:00:00","" "7224314","14.2896","0.0005","14.2896","0.0005","41.483","0.0015","90","","90","","120","","7335.7","0.4","124.95","0.18","124.95","0.18","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C8 H14 Fe2 N O12 -","- C8.002 H14.006 Fe2 N1.001 O12 -","- C144.036 H252.108 Fe36 N18.018 O216 -","18","0.5","","Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.","Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.","Physical chemistry chemical physics : PCCP","2016","18","12","8462","8467","10.1039/c6cp00064a","","x-ray","0.71073","MoKα","","0.0352","0.0245","","","0.0663","0.0716","","","","","","0.989","","","","has coordinates,has disorder","182801","2020-10-21","18:00:00","" "7226075","26.9779","0.0012","26.9779","0.0012","71.622","0.004","90","","90","","120","","45143","4","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","[Na4Cr6]-3","complex 3","","- C132 H198 Cr6 N12 Na4 O26 -","- C132 H198 Cr6 N12 Na4 O26 -","- C1584 H2376 Cr72 N144 Na48 O312 -","12","0.333333","","Jones, Leigh Fon; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; G. Ryder, Alan; Piligkos, Stergios; Brechin, Euan K.; Houton, Edel","Solvothermal Synthesis of Discrete Cages and Extended Networks Comprising {Cr(III)3O(O2CR)3(oxime)3}2- (R = H, CH3, C(CH3)3, C14H9) Building Blocks.","RSC Adv.","2016","","","","","10.1039/C6RA14811E","","","0.7107","MoKα","","0.1972","0.0907","","","0.1937","0.2509","","","","","","1.02","","","","has coordinates,has disorder","291143","2024-04-09","08:49:55","" "7227907","22.034","0.013","22.034","0.013","34.773","0.016","90","","90","","120","","14620","14","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C144 H144 As12 Cu36 Mo108 N216 O372 -","- C144 H144 As12 Cu36 Mo108 N216 O371.964 -","- C144 H144 As12 Cu36 Mo108 N216 O371.964 -","1","0.0277778","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, He; Wang, Chun-mei; Wang, Chunxiao; Zhou, Bai-bin","Two extended Wells‒Dawson arsenomolybdate architectures directed by Na(i) and/or Cu(i) organic complex linkers","CrystEngComm","2017","19","17","2320","","10.1039/C6CE02539K","","","0.71073","MoKα","","0.0891","0.0717","","","0.1827","0.2128","","","","","","1.07","","","","has coordinates,has disorder","196376","2020-10-21","18:00:00","" "7228445","24.986","0.007","24.986","0.007","47.359","0.009","90","","90","","120","","25605","11","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C57 H72 Lu N5 -","- C57 H72 Lu N5 -","- C1026 H1296 Lu18 N90 -","18","0.5","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.0419","0.0333","","","0.0903","0.0948","","","","","","0.997","","","","has coordinates","197643","2020-10-21","18:00:00","" "7228985","16.059","0.002","16.059","0.002","63.922","0.006","90","","90","","120","","14276","3","93","","93","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C42 H45 Cl6 N O3 Ti3 -","- C42 H45 Cl6 N O3 Ti3 -","- C504 H540 Cl72 N12 O36 Ti36 -","12","0.333333","","Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis and structural analysis of aryloxo-modified trinuclear half-titanocenes, and their use as catalyst precursors for ethylene polymerisation","RSC Adv.","2017","7","66","41345","","10.1039/C7RA07581B","","","0.71073","MoKα","","0.1259","0.0982","","","0.2086","0.222","","","","","","1.096","","","","has coordinates","199941","2020-10-21","18:00:00","" "7230641","29.189","0.0006","29.189","0.0006","23.3065","0.0005","90","","90","","120","","17196.7","0.6","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C47.4 H45 N O2.6 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0856","0.0536","","","0.1349","0.1569","","","","","","1.025","","","","has coordinates","229113","2020-10-21","18:00:00","" "7230642","29.3589","0.0006","29.3589","0.0006","23.3712","0.0005","90","","90","","120","","17445.8","0.6","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C47 H44 N O2.5 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0495","0.041","","","0.1049","0.1116","","","","","","1.057","","","","has coordinates","229113","2020-10-21","18:00:00","" "7230643","29.1831","0.0006","29.1831","0.0006","23.3144","0.0005","90","","90","","120","","17195.6","0.6","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C43 H34 N O1.5 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0566","0.0487","","","0.136","0.1465","","","","","","1.052","","","","has coordinates","229113","2020-10-21","18:00:00","" "7230644","29.2539","0.0011","29.2539","0.0011","23.3293","0.0009","90","","90","","120","","17290.2","1.1","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C46.6 H40.2 N O3.8 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0518","0.0397","","","0.106","0.1164","","","","","","1.037","","","","has coordinates","229113","2020-10-21","18:00:00","" "7230650","29.2009","0.0005","29.2009","0.0005","23.3366","0.0004","90","","90","","120","","17233","0.5","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C46.6 H43 N O2.4 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0569","0.0398","","","0.1036","0.1154","","","","","","1.036","","","","has coordinates","229113","2020-10-21","18:00:00","" "7230767","8.1373","0.0006","8.1373","0.0006","21.1601","0.0007","90","","90","","120","","1213.41","0.13","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","0.166667","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0643","0.0532","","","0.1437","0.1643","","","","","","1.114","","","","has coordinates","208015","2020-10-21","18:00:00","" "7231488","18.1126","0.0009","18.1126","0.0009","46.624","0.004","90","","90","","120","","13246.5","1.5","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H12 Co N O6.5 -","- C14 H9 Co N O5 -","- C504 H324 Co36 N36 O180 -","36","1","","He, Yuan-Chun; Yu, Yang; Wang, Lingyan; Yang, Jiaqin; Kan, Wei-Qiu; Yang, Yan; Fan, Yao-Yao; Jing, Zhihong; You, Jinmao","A novel metal‒organic framework based on hexanuclear Co(ii) clusters as an anode material for lithium-ion batteries","CrystEngComm","2018","20","37","5576","","10.1039/C8CE01039K","","","0.71073","MoKα","","0.0945","0.0661","","","0.1577","0.1737","","","","","","1.045","","","","has coordinates,has disorder","228907","2020-10-21","18:00:00","" "7231993","26.6194","0.0004","26.6194","0.0004","27.22","0.0005","90","","90","","120","","16703.8","0.5","200","","200","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C37 H54 Cl N2 P2 Rh -","- C37 H54 Cl N2 P2 Rh -","- C666 H972 Cl18 N36 P36 Rh18 -","18","0.5","","Lam, Raphael H.; McQueen, Caitlin M. A.; Pernik, Indrek; McBurney, Roy T.; Hill, Anthony F.; Messerle, Barbara A.","Selective formylation or methylation of amines using carbon dioxide catalysed by a rhodium perimidine-based NHC complex","Green Chemistry","2019","21","3","538","","10.1039/C8GC03094D","","","0.71073","MoKα","","0.063","0.0499","","0.1208","0.1103","0.1208","","","","","","0.9753","","","","has coordinates","224636","2020-10-21","18:00:00","" "7233661","27.3772","0.0003","27.3772","0.0003","87.5257","0.001","90","","90","","120","","56812.5","1.1","223","2","223","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C156 H134 Br4 Cd17 N2 S24 Se4 -","- C144 Br4 Cd17 S24 Se4 -","- C1728 Br48 Cd204 S288 Se48 -","12","0.333333","","Jian-Bing Jiang; Peng Huo; Peng Wang; Yin-Yin Wu; Guo-Qing Bian; Qin-Yu Zhu; Jie Dai","Synthesis and photocurrent responsive properties of CdS/Se clusters integrated with methylviologen","Journal of Materials Chemistry C","2014","2","","2528","2533","10.1039/C3TC32093F","","","0.71073","MoKα","","0.1273","0.0747","","","0.2128","0.2598","","","","","","1.025","","","","has coordinates,has disorder","217998","2020-10-21","18:00:00","" "7233662","27.0806","0.0004","27.0806","0.0004","86.9594","0.0012","90","","90","","120","","55228.6","1.4","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C156 H134 Br4 Cd17 N2 S28 -","- C144 Br4 Cd17 S28 -","- C1728 Br48 Cd204 S336 -","12","0.333333","","Jian-Bing Jiang; Peng Huo; Peng Wang; Yin-Yin Wu; Guo-Qing Bian; Qin-Yu Zhu; Jie Dai","Synthesis and photocurrent responsive properties of CdS/Se clusters integrated with methylviologen","Journal of Materials Chemistry C","2014","2","","2528","2533","10.1039/C3TC32093F","","","0.71073","MoKα","","0.1035","0.0716","","","0.2018","0.229","","","","","","1.028","","","","has coordinates,has disorder","217999","2020-10-21","18:00:00","" "7234953","33.1406","0.0009","33.1406","0.0009","37.1579","0.0009","90","","90","","120","","35342.9","1.6","150.15","","150.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C44 H32 N8 Ni2 O9 -","- C37.656 H25.656 N7 Ni2 O8 -","- C677.808 H461.808 N126 Ni36 O144 -","18","0.5","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.0711","0.0497","","","0.1214","0.1283","","","","","","1.028","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00","" "7235109","18.3138","0.0002","18.3138","0.0002","69.7479","0.0013","90","","90","","120","","20259","0.5","150","2","150.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14.31 H7.91 Cu N2 O9 -","- C14.31 H7.9 Cu N2 O9 -","- C515.16 H284.4 Cu36 N72 O324 -","36","1","","Xiong, Ying; Fan, Yan-Zhong; Wei, Zhang-Wen; Chen, Cheng-Xia; Chen, Sha; Wang, Dawei; Barboiu, Mihail; Jiang, Ji-Jun; Su, Cheng-Yong","Unusual adsorption behaviours and responsive structural dynamics via selective gate effects of an hourglass porous metal‒organic framework","RSC Advances","2019","9","64","37222","","10.1039/C9RA07301A","","","1.54178","CuKα","","0.0812","0.0787","","","0.2366","0.2405","","","","","","1.108","","","","has coordinates,has disorder","227860","2020-10-21","18:00:00","" "7235110","17.993","0.003","17.993","0.003","69.267","0.014","90","","90","","120","","19421","6","435","2","435.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H8 Cu N2 O5 -","- C14 H8 Cu N2 O5 -","- C504 H288 Cu36 N72 O180 -","36","1","","Xiong, Ying; Fan, Yan-Zhong; Wei, Zhang-Wen; Chen, Cheng-Xia; Chen, Sha; Wang, Dawei; Barboiu, Mihail; Jiang, Ji-Jun; Su, Cheng-Yong","Unusual adsorption behaviours and responsive structural dynamics via selective gate effects of an hourglass porous metal‒organic framework","RSC Advances","2019","9","64","37222","","10.1039/C9RA07301A","","","1.54178","CuKα","","0.1962","0.1294","","","0.3374","0.3791","","","","","","1.161","","","","has coordinates,has disorder","227860","2020-10-21","18:00:00","" "7235111","18.4309","0.0018","18.4309","0.0018","70.011","0.016","90","","90","","120","","20596","5","298","2","298.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H8 Cu N2 O6 -","- C14 H8 Cu N2 O6 -","- C504 H288 Cu36 N72 O216 -","36","1","","Xiong, Ying; Fan, Yan-Zhong; Wei, Zhang-Wen; Chen, Cheng-Xia; Chen, Sha; Wang, Dawei; Barboiu, Mihail; Jiang, Ji-Jun; Su, Cheng-Yong","Unusual adsorption behaviours and responsive structural dynamics via selective gate effects of an hourglass porous metal‒organic framework","RSC Advances","2019","9","64","37222","","10.1039/C9RA07301A","","","1.54178","CuKα","","0.1428","0.1133","","","0.3015","0.3499","","","","","","1.213","","","","has coordinates,has disorder","227860","2020-10-21","18:00:00","" "7235112","17.9678","0.0016","17.9678","0.0016","69.263","0.01","90","","90","","120","","19365","4","298","2","298.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H8 Cu N2 O5 -","- C14 H8 Cu N2 O5 -","- C504 H288 Cu36 N72 O180 -","36","1","","Xiong, Ying; Fan, Yan-Zhong; Wei, Zhang-Wen; Chen, Cheng-Xia; Chen, Sha; Wang, Dawei; Barboiu, Mihail; Jiang, Ji-Jun; Su, Cheng-Yong","Unusual adsorption behaviours and responsive structural dynamics via selective gate effects of an hourglass porous metal‒organic framework","RSC Advances","2019","9","64","37222","","10.1039/C9RA07301A","","","1.54178","CuKα","","0.1619","0.1193","","","0.3263","0.365","","","","","","1.134","","","","has coordinates,has disorder","227860","2020-10-21","18:00:00","" "7235665","18.8708","0.0007","18.8708","0.0007","52.615","0.004","90","","90","","120","","16226.3","1.5","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C30 H6 N60 Zn5 -","- C30 H6 N60 Zn5 -","- C180 H36 N360 Zn30 -","6","0.166667","","He, Hongming; Sun, Fuxing; Zhao, Nian; Yuan, Rongrong; Zhu, Guangshan","Three novel zinc(ii) metal‒organic frameworks based on three tetrazolate ligands: synthesis, structures and photoluminescence","RSC Adv.","2014","4","41","21535","","10.1039/C4RA02872D","","","0.71073","MoKα","","0.0799","0.0498","","","0.1621","0.1749","","","","","","1.133","","","","has coordinates","233210","2020-10-21","18:00:00","" "7235863","18.295","0.005","18.295","0.005","69.43","0.018","90","","90","","120","","20125","9","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C84 H41.84 Cu6 N12 O30 -","- C84 H41.844 Cu6 N12 O30 -","- C504 H251.064 Cu36 N72 O180 -","6","0.166667","","Chen, Zhijie; Adil, Karim; Weseliński, Łukasz J.; Belmabkhout, Youssef; Eddaoudi, Mohamed","A supermolecular building layer approach for gas separation and storage applications: the eea and rtl MOF platforms for CO2 capture and hydrocarbon separation","Journal of Materials Chemistry A","2015","3","12","6276","","10.1039/C4TA07115H","","","1.54178","CuKα","","0.1014","0.0707","","","0.1907","0.2066","","","","","","0.965","","","","has coordinates,has disorder","233388","2020-10-21","18:00:00","" "7236082","19.627","0.003","19.627","0.003","45.856","0.009","90","","90","","120","","15298","4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C69 H67 In3 N8 O23 -","- C57 H33 In3 N3 O13 -","- C342 H198 In18 N18 O78 -","6","0.166667","","Yao, Shuo; Wang, Dongmei; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Two stable 3D porous metal‒organic frameworks with high performance for gas adsorption and separation","Journal of Materials Chemistry A","2015","3","32","16627","","10.1039/C5TA03886C","","","0.71073","MoKα","","0.0248","0.0237","","","0.0694","0.07","","","","","","1.118","","","","has coordinates","233908","2020-10-21","18:00:00","" "7236182","21.6177","0.0006","21.6177","0.0006","61.464","0.004","90","","90","","120","","24875.4","1.9","100","2","100.11","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C117 H155 Cl14 Cr6 Cu6 N27 O42 -","- C117 H153 Cl13.9998 Cr6 Cu6 N27 O41.9999 -","- C702 H918 Cl83.9988 Cr36 Cu36 N162 O251.999 -","6","0.166667","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","1.54178","CuKα","","0.0742","0.0634","","","0.1631","0.1695","","","","","","1.105","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00","" "7237118","16.2679","0.0002","16.2679","0.0002","84.1291","0.0012","90","","90","","120","","19281.5","0.4","150","","150","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C78 H73.92 Na3.96 O47.96 S6 Zr6 -","- C78 H73.92 Na3.96 O47.96 S6 Zr6 -","- C468 H443.52 Na23.76 O287.76 S36 Zr36 -","6","0.166667","","Xing, Wen-Hao; Li, Hai-Yang; Dong, Xi-Yan; Zang, Shuang-Quan","Robust multifunctional Zr-based metal‒organic polyhedra for high proton conductivity and selective CO2 capture","Journal of Materials Chemistry A","2018","6","17","7724","","10.1039/C8TA00858B","","","1.54184","CuKα","","0.0512","0.048","","","0.1463","0.1489","","","","","","1.086","","","","has coordinates,has disorder","237430","2020-10-21","18:00:00","" "7237398","10.213","0.002","10.213","0.002","53.387","0.009","90","","90","","120","","4822.5","1.6","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C7 H20 B3 F12 N3 -","- C7 H16 B3 F12 N3 -","- C84 H192 B36 F144 N36 -","12","0.333333","","Fan, Guang-Meng; Shi, Chao; Qiao, Liang; Li, Hao-Jie; Ye, Heng-Yun","Photoluminescence of Sn2±-I−-mixed molecular perovskites","Journal of Materials Chemistry C","2018","6","31","8349","","10.1039/C8TC02587H","","","0.71073","MoKα","","0.147","0.1254","","","0.3255","0.3425","","","","","","1.129","","","","has coordinates","237641","2020-10-21","18:00:00","" "7238542","28.993","0.003","28.993","0.003","21.958","0.003","90","","90","","120","","15985","3","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C22 H35 Cl2 N15 O4 Zn2 -","- C9 H3 Cl2 N12 Zn2 -","- C162 H54 Cl36 N216 Zn36 -","18","0.5","","Yang, Guang-Sheng; Li, Mei-Na; Li, Shun-Li; Lan, Ya-Qian; He, Wen-Wen; Wang, Xin-Long; Qin, Jun-Sheng; Su, Zhong-Min","Controllable synthesis of microporous, nanotubular and mesocage-like metal‒organic frameworks by adjusting the reactant ratio and modulated luminescence properties of Alq3@MOF composites","Journal of Materials Chemistry","2012","22","34","17947","","10.1039/c2jm32990e","","","0.71073","MoKα","","0.1032","0.0643","","","0.2026","0.222","","","","","","1.09","","","","has coordinates","244224","2020-10-21","18:00:00","" "7238625","25.104","0.0004","25.104","0.0004","30","0.003","90","","90","","120","","16373.4","1.7","213","2","213","2","","","","","","","synthesis as described","4","R -3 c :H","-R 3 2""c","167","","","","- C13.83 H22.67 N O3 -","- C13.81 H22.64 N O3 -","- C497.16 H815.04 N36 O108 -","36","1","","Bardelang, David; Giorgi, Michel; Hornebecq, Virginie; Stepanov, Anatoli; Rizzato, Egon; Zaman, Md. Badruz; Chan, Gordon; Ouari, Olivier; Tordo, Paul","Perturbation induced formation of a 3D-network of microcrystals producing soft materials","RSC Advances","2012","2","13","5605","","10.1039/c2ra20208e","","x-ray","0.71073","MoKα","","0.1084","0.081","","","0.2304","0.2575","","","","","","1.055","","","","has coordinates","244260","2020-10-21","18:00:00","" "7238864","33.48","0.02","33.48","0.02","105.59","0.07","90","","90","","120","","102500","11","90","2","90","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","TMOF-4","","","- C216 H148 O39 Zn7 -","- C216 H144 O39 Zn7 -","- C2592 H1728 O468 Zn84 -","12","0.333333","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","1.54178","CuKα","","0.1737","0.1166","","","0.3416","0.3755","","","","","","1.266","","","","has coordinates","244404","2020-10-21","18:00:00","" "7239536","19.85","0.003","19.85","0.003","83.91","0.03","90","","90","","120","","28633","12","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C H N O Zn -","- C2.31933 H1.41176 O0.436975 Zn0.134454 -","- C828 H504 O156 Zn48 -","357","9.91667","","Jia, Jiangtao; Sun, Fuxing; Ma, Heping; Wang, Lei; Cai, Kun; Bian, Zheng; Gao, Lianxun; Zhu, Guangshan","Trigonal prism or octahedron: the conformational change of a dendritic six-node ligand in MOFs","Journal of Materials Chemistry A","2013","1","35","10112","","10.1039/c3ta11840a","","","0.71073","MoKα","","0.145","0.1155","","","0.3348","0.358","","","","","","1.384","","","","has coordinates","244754","2020-10-21","18:00:00","" "7239659","49.2699","0.0009","49.2699","0.0009","35.3426","0.0014","90","","90","","120","","74301","4","175","2","175","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C24 H20 Cu6 I4 N4 O10 -","- C24 H20 Cu6 I4 N4 O10 -","- C432 H360 Cu108 I72 N72 O180 -","18","0.5","","Liu, Jin-Hua; Zhang, Jing; Zhao, Dan; Lin, Li-Dan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","The incorporation of heterovalent copper-oxo and copper-halide clusters for the fabrication of three porous cluster organic frameworks: syntheses, structures and iodine adsorption/release study","CrystEngComm","2020","22","4","821","828","10.1039/C9CE01745C","","","1.54178","CuKα","","0.1111","0.0684","","","0.1879","0.2071","","","","","","1.003","","","","has coordinates","257452","2020-10-21","18:00:00","" "7240054","6.3212","0.0009","6.3212","0.0009","53.448","0.011","90","","90","","120","","1849.5","0.5","173","2","173","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C9 H24 N2 O3 -","- C9 H24 N2 O3 -","- C54 H144 N12 O18 -","6","0.166667","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0359","0.0331","","","0.0922","0.0946","","","","","","1.118","","","","has coordinates","249106","2020-10-21","18:00:00","" "7240164","9.334","0.0002","9.334","0.0002","45.4665","0.0014","90","","90","","120","","3430.5","0.15","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Gd12 Li33 O90 Rb3 Te18 -","- Gd12 Li33 O90 Rb3 Te18 -","- Gd24 Li66 O180 Rb6 Te36 -","2","0.0555556","","Zhu, Zhi-An; He, Yu-Cong; Lv, Yang-Yang; Feng, Jiang-He; Zhou, Jian","Synthesis, structure, and electronic properties of the Li11RbGd4Te6O30 single crystal","RSC Advances","2020","10","19","11450","11454","10.1039/C9RA10163B","","","0.71073","MoKα","","0.02","0.019","","","0.0452","0.0456","","","","","","1.2","","","","has coordinates","258059","2020-10-21","18:00:00","" "7240574","23.0883","0.0006","23.0883","0.0006","47.6538","0.0017","90","","90","","120","","21999.5","1.1","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C20 H12 Cd N4 O4 -","- C20 H12 Cd N4 O4 -","- C720 H432 Cd36 N144 O144 -","36","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","0.71073","MoKα","","0.1259","0.0597","","","0.1317","0.1576","","","","","","0.862","","","","has coordinates","252295","2020-10-21","18:00:00","" "7241299","21.9383","0.0002","21.9383","0.0002","46.0355","0.0005","90","","90","","120","","19188","0.3","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C60 H66 Ag F6 O12 P S9 -","- C60 H66 Ag F5.99995 O12 P S9 -","- C720 H792 Ag12 F71.9994 O144 P12 S108 -","12","0.333333","","Ju, Huiyeong; Lee, Jai Young; Lee, Shim Sung","Influence of anion and mole-ratio on the formation of 2-D coordination networks of thiacalix[4]-bis-monothiacrown-5","CrystEngComm","2020","","","","","10.1039/D0CE01198C","","","0.71073","MoKα","","0.0374","0.0306","","","0.0739","0.0805","","","","","","1.053","","","","has coordinates","256752","2020-10-21","18:00:00","" "7241352","49.4477","0.0009","49.4477","0.0009","39.5019","0.001","90","","90","","120","","83645","3","200","2","200","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C164 H176 Co8 N3 O20 S16 -","- C164 H176 Co8 N3 O20 S16 -","- C2952 H3168 Co144 N54 O360 S288 -","18","0.5","","Li, Kaiyue; Liao, Wuping","Two Sulfur and Nitrogen-rich Cobalt-thiacalix[4]arene Compounds for Selective Mercury Removal from Aqueous Solution","CrystEngComm","2020","","","","","10.1039/D0CE01209B","","","1.54178","CuKα","","0.0794","0.0628","","","0.1579","0.172","","","","","","0.989","","","","has coordinates","257197","2020-10-21","18:00:00","" "7243800","30.3293","0.0006","30.3293","0.0006","13.6082","0.0004","90","","90","","120","","10840.7","0.4","297","2","297","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C19 H21 Cl2 Mn N5 O4 -","- C19 H21 Cl2 Mn N5 O4 -","- C342 H378 Cl36 Mn18 N90 O72 -","18","0.5","","Oulmidi, Afaf; Radi, Smaail; Idir, Abderrazak; Zyad, Abdelmajid; Kabach, Imad; Nhiri, Mohamed; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann","Synthesis and cytotoxicity against tumor cells of pincer N-heterocyclic ligands and their transition metal complexes","RSC Advances","2021","11","55","34742","34753","10.1039/D1RA05918A","","","0.71073","MoKα","","0.0334","0.0313","","","0.083","0.0844","","","","","","1.077","","","","has coordinates,has disorder","270153","2021-10-29","02:31:29","" "7243920","50.337","0.007","50.337","0.007","61.099","0.012","90","","90","","120","","134072","4","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C21.8 H130.8 Cl3 Mo132 N65.4 O581.4 Se30 -","- C21.8 H130.8 Cl3 Mo132 N65.4 O581.4 Se30 -","- C130.8 H784.8 Cl18 Mo792 N392.4 O3488.4 Se180 -","6","0.166667","","Korenev, Vladimir S.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Abramov, Pavel A.; Sokolov, Maxim N.","Structural features of selenate based {Mo132} keplerate capsules","CrystEngComm","2022","24","2","321","329","10.1039/D1CE01121A","","","0.79272","synchrotron","","0.1236","0.0921","","","0.2929","0.3187","","","","","","1.211","","","","has coordinates,has disorder","272623","2022-02-04","19:23:20","" "7245709","20.7129","0.0008","20.7129","0.0008","77.627","0.003","90","","90","","120","","28842","1.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C90 H48 O43 S6 Zn7 -","- C90 H48 O42.9999 S6 Zn7 -","- C540 H288 O257.999 S36 Zn42 -","6","0.166667","","Du, Yanfang; Wang, Xi-Xi; Cheng, Ai-Ling; Wang, Yuanyuan; Gao, En-Qing","A new multifunctional anionic 3D Zn(II)-MOF based on heptanuclear clusters: selective adsorption of organic dyes and dual-emitting sensor for nitroantibiotics","CrystEngComm","2022","","","","","10.1039/D2CE01218A","","","1.54184","CuKα","","0.1155","0.0934","","","0.2898","0.313","","","","","","1.064","","","","has coordinates","278755","2022-10-24","22:49:47","" "7246150","13.8716","0.0002","13.8716","0.0002","33.7979","0.0008","90","","90","","120","","5632.14","0.18","120","","120","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C46 H27 Co N3 O6 -","- C46.0002 H27 Co N3 O6 -","- C276.001 H162 Co6 N18 O36 -","6","0.166667","","Koyama, Shohei; Sato, Kazunobu; Yamashita, Masahiro; Sakamoto, Ryota; Iguchi, Hiroaki","Observation of slow magnetic relaxation phenomena in spatially isolated π-radical ions.","Physical chemistry chemical physics : PCCP","2023","25","7","5459","5467","10.1039/d2cp06026d","","x-ray","0.71073","MoKα","","0.0607","0.0557","","","0.1662","0.1712","","","","","","1.069","","","","has coordinates,has disorder","281604","2023-03-04","18:46:27","" "7246492","21.9765","0.0004","21.9765","0.0004","114.166","0.002","90","","90","","120","","47751.2","1.5","213","","213","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","DPPMA/MTBPS","","- C162 H165 N25 O18 S4 -","- C117 H95.9997 N16 O12 S4 -","- C1404 H1152 N192 O144 S48 -","12","0.333333","","Ami, Takahiro; Oka, Kouki; Tsuchiya, Keiho; Kosaka, Wataru; Miyasaka, Hitoshi; Tohnai, Norimitsu","The introduction of a base component to porous organic salts and their CO2 storage capability","CrystEngComm","2023","25","15","2321","2325","10.1039/D3CE00086A","","","1.54184","CuKα","","0.1275","0.1015","","","0.3298","0.3624","","","","","","1.251","","","","has coordinates,has disorder","283217","2023-05-05","01:27:53","" "7248507","14.5323","0.0006","14.5323","0.0006","28.7233","0.0014","90","","90","","120","","5253.3","0.4","295","","295","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C8 H20 Br P -","- C8 H20 Br P -","- C144 H360 Br18 P18 -","18","0.5","","Gawraczynski, Jakub; Leszczynski, Piotr J.; Cyranski, Michal Ksawery; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijalkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","","","","","10.1039/D4CE00210E","powder diffraction","x-ray","1.78892","CoKα","","0.0675","0.0616","","0.0744","0.0736","","","","3.8867","","","","","","","has coordinates","291322","2024-04-22","23:07:16","" "7700042","22.97","0.005","22.97","0.005","15.91","0.005","90","","90","","120","","7270","3","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C8 H2 O7 Zn2 -","- C8 H2 O7 Zn2 -","- C144 H36 O126 Zn36 -","18","0.5","","Gheorghe, Andreea; Imaz, Inhar; van der Vlugt, Jarl Ivar; Maspoch, Daniel; Tanase, Stefania","Tuning the supramolecular isomerism of MOF-74 by controlling the synthesis conditions","Dalton Transactions","2019","","","","","10.1039/C9DT01572H","","","0.72656","synchrotron","","0.0586","0.056","","","0.1726","0.1746","","","","","","1.194","","","","has coordinates","215382","2020-10-21","18:00:00","" "7700527","18.559","0.0009","18.559","0.0009","52.256","0.003","90","","90","","120","","15587.5","1.4","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C60 H108 Bi9 Ir6 K3 N6 O24 -","- C60 H108 Bi9 Ir6 K3 N6 O24 -","- C360 H648 Bi54 Ir36 K18 N36 O144 -","6","0.166667","","Li, Zhenyu; Liu, Caiping; Wu, Jie; Lin, Zian; Xu, Li","[(η3-Bi3)2(IrCO)6(μ4-Bi)3]3-: a new archetype of a 15-vertex deltahedral hybrid from Bixx--coordination aggregation of cationic [IrCO]+ units.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12013","12017","10.1039/c9dt02559f","","","0.71073","MoKα","","0.0533","0.0493","","","0.139","0.1414","","","","","","1.085","","","","has coordinates,has disorder","223911","2020-10-21","18:00:00","" "7701065","11.5264","0.0008","11.5264","0.0008","15.2164","0.001","90","","90","","120","","1750.8","0.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 Co Cs Li3 O12 -","- C6 Co Cs Li3 O12 -","- C36 Co6 Cs6 Li18 O72 -","6","0.166667","","Clulow, Rebecca; Bradford, Alasdair J.; Lee, Stephen L.; Lightfoot, Philip","Perovzalates: a family of perovskite-related oxalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14461","14466","10.1039/c9dt03149a","","","0.71075","MoKα","","0.0228","0.0202","","","0.092","0.0955","","","","","","0.853","","","","has coordinates","224565","2020-10-21","18:00:00","" "7701066","11.3796","0.0007","11.3796","0.0007","14.9962","0.001","90","","90","","120","","1681.77","0.18","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 Li3 Ni O12 Rb -","- C6 Li3 Ni O12 Rb -","- C36 Li18 Ni6 O72 Rb6 -","6","0.166667","","Clulow, Rebecca; Bradford, Alasdair J.; Lee, Stephen L.; Lightfoot, Philip","Perovzalates: a family of perovskite-related oxalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14461","14466","10.1039/c9dt03149a","","","0.71075","MoKα","","0.0418","0.0328","","","0.1025","0.1131","","","","","","0.876","","","","has coordinates","224565","2020-10-21","18:00:00","" "7701067","11.3215","0.0009","11.3215","0.0009","15.0942","0.0013","90","","90","","120","","1675.5","0.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 Co K Li3 O12 -","- C6 Co K Li3 O12 -","- C36 Co6 K6 Li18 O72 -","6","0.166667","","Clulow, Rebecca; Bradford, Alasdair J.; Lee, Stephen L.; Lightfoot, Philip","Perovzalates: a family of perovskite-related oxalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14461","14466","10.1039/c9dt03149a","","","0.71075","MoKα","","0.0639","0.0329","","","0.0808","0.1","","","","","","0.631","","","","has coordinates","224565","2020-10-21","18:00:00","" "7701068","11.6046","0.0008","11.6046","0.0008","15.1779","0.0012","90","","90","","120","","1770.1","0.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 Cs Fe Li3 O12 -","- C6 Cs Fe Li3 O12 -","- C36 Cs6 Fe6 Li18 O72 -","6","0.166667","","Clulow, Rebecca; Bradford, Alasdair J.; Lee, Stephen L.; Lightfoot, Philip","Perovzalates: a family of perovskite-related oxalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14461","14466","10.1039/c9dt03149a","","","0.71075","MoKα","","0.0438","0.0346","","","0.1153","0.1357","","","","","","1.145","","","","has coordinates","224565","2020-10-21","18:00:00","" "7701069","11.478","0.0008","11.478","0.0008","15.1001","0.0012","90","","90","","120","","1722.8","0.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 Fe Li3 O12 Rb -","- C6 Fe Li3 O12 Rb -","- C36 Fe6 Li18 O72 Rb6 -","6","0.166667","","Clulow, Rebecca; Bradford, Alasdair J.; Lee, Stephen L.; Lightfoot, Philip","Perovzalates: a family of perovskite-related oxalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14461","14466","10.1039/c9dt03149a","","","0.71075","MoKα","","0.0412","0.0251","","","0.0886","0.1084","","","","","","0.815","","","","has coordinates","224565","2020-10-21","18:00:00","" "7701070","11.4019","0.0008","11.4019","0.0008","15.1029","0.0012","90","","90","","120","","1700.4","0.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 Co Li3 O12 Rb -","- C6 Co Li3 O12 Rb -","- C36 Co6 Li18 O72 Rb6 -","6","0.166667","","Clulow, Rebecca; Bradford, Alasdair J.; Lee, Stephen L.; Lightfoot, Philip","Perovzalates: a family of perovskite-related oxalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14461","14466","10.1039/c9dt03149a","","","0.71075","MoKα","","0.0508","0.0274","","","0.0736","0.0931","","","","","","0.61","","","","has coordinates","224565","2020-10-21","18:00:00","" "7701071","11.3071","0.0008","11.3071","0.0008","14.9434","0.0012","90","","90","","120","","1654.6","0.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 K Li3 Ni O12 -","- C6 K Li3 Ni O12 -","- C36 K6 Li18 Ni6 O72 -","6","0.166667","","Clulow, Rebecca; Bradford, Alasdair J.; Lee, Stephen L.; Lightfoot, Philip","Perovzalates: a family of perovskite-related oxalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14461","14466","10.1039/c9dt03149a","","","0.71075","MoKα","","0.0246","0.0216","","","0.0748","0.0791","","","","","","0.711","","","","has coordinates","224565","2020-10-21","18:00:00","" "7701072","11.4908","0.0008","11.4908","0.0008","15.1534","0.001","90","","90","","120","","1732.8","0.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 Cs Li3 Ni O12 -","- C6 Cs Li3 Ni O12 -","- C36 Cs6 Li18 Ni6 O72 -","6","0.166667","","Clulow, Rebecca; Bradford, Alasdair J.; Lee, Stephen L.; Lightfoot, Philip","Perovzalates: a family of perovskite-related oxalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14461","14466","10.1039/c9dt03149a","","","0.71075","MoKα","","0.0253","0.0229","","","0.1012","0.1043","","","","","","0.935","","","","has coordinates","224565","2020-10-21","18:00:00","" "7701602","55.955","0.004","55.955","0.004","20.8428","0.0017","90","","90","","120","","56515","7","153","2","153","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C78 H80 Dy6 N28 O42 -","- C78 H80 Dy6 N28 O42 -","- C1404 H1440 Dy108 N504 O756 -","18","0.5","","Lu, Jingjing; Li, Xiao-Lei; Zhu, Zhenhua; Liu, Shuting; Yang, Qianqian; Tang, Jinkui","Linear hexanuclear helical dysprosium single-molecule magnets: the effect of axial substitution on magnetic interactions and relaxation dynamics.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14062","14068","10.1039/c9dt03101d","","x-ray","0.71073","MoKα","","0.1673","0.0867","","","0.1954","0.2656","","","","","","1.045","","","","has coordinates","223316","2020-10-21","18:00:00","" "7701691","9.743","0.002","9.743","0.002","66.337","0.013","90","0.03","90","0.03","120","0.03","5453","3","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Ca10 H2 Na10 O43 Te9 -","- Ca10 Na10 O43 Te9 -","- Ca60 Na60 O258 Te54 -","6","0.166667","","Zhang, Li-Yun; Lii, Kwang-Hwa","Ca10Na10[Te9O42](H2O): a hydrothermally synthesized quaternary tellurium(vi) oxide containing edge-sharing octahedral trimers.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15231","15235","10.1039/c9dt03521d","","","0.71073","MoKα","","0.0178","0.016","","","0.0428","0.0441","","","","","","1.067","","","","has coordinates","223336","2020-10-21","18:00:00","" "7702907","15.7163","0.0018","15.7163","0.0018","52.205","0.01","90","","90","","120","","11167","3","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C46 H30 In3 N7 O24 -","- C46 H30.0006 In3 N7 O24 -","- C276 H180.004 In18 N42 O144 -","6","0.166667","","Li, Guodong; Ji, Guoxun; Liu, Wei; Zhang, Jiarong; Song, Liping; Cheng, Liwei; Wang, Xia; Wang, Yanlong; Liu, Jianjun; Chen, Xudan; Sun, Xinli; Diwu, Juan","A hydrolytically stable anionic layered indium‒organic framework for the efficient removal of 90Sr from seawater","Dalton Transactions","2019","","","","","10.1039/C9DT03112J","","","0.71073","MoKα","","0.0856","0.0516","","","0.1368","0.1496","","","","","","1.08","","","","has coordinates","244796","2020-10-21","18:00:00","" "7702915","7.46787","","7.46787","","19.95542","","90","","90","","120","","963.796","","463","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B3 D12 Pr -","- B2.24995 D8.99982 Pr0.75 -","- B17.9996 D71.9986 Pr6 -","8","0.222222","","Payandeh GharibDoust, SeyedHosein; Heere, Michael; Nervi, Carlo; Sørby, Magnus H; Hauback, Bjørn C; Jensen, Torben R.","Synthesis, structure, and polymorphic transitions of praseodymium(iii) and neodymium(iii) borohydride, Pr(BH4)3 and Nd(BH4)3.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8307","8319","10.1039/c8dt00118a","powder diffraction","","","X-ray","","","","","","","","","25.429","","","","","","","","has coordinates","244808","2020-10-21","18:00:00","" "7702989","28.6657","0.0008","28.6657","0.0008","52.375","0.002","90","","90","","120","","37272","2","110","","110","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C174 H240 Au6 Cu10 N12 O3 S8 -","- C174 H240 Au6 Cu10 N12 O3 S8 -","- C1044 H1440 Au36 Cu60 N72 O18 S48 -","6","0.166667","","Polgar, Alexander M.; Franzke, Yannick J.; Lebedkin, Sergei; Weigend, Florian; Corrigan, John F.","Preparation and luminescence properties of a M16 heterometallic coinage metal chalcogenide cluster.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","593","597","10.1039/c9dt02669j","","","1.54178","CuKα","","0.0696","0.0403","","","0.0972","0.1117","","","","","","1.035","","","","has coordinates,has disorder","247743","2020-10-21","18:00:00","" "7703595","18.4889","0.0006","18.4889","0.0006","55.2602","0.0018","90","","90","","120","","16359.3","0.9","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C49.5 H50.5 Cu4 N9.5 O17.5 -","- C39 H24 Cu4 N6 O14 -","- C468 H288 Cu48 N72 O168 -","12","0.333333","","Jiang, Zhenzhen; Zou, Ying; Xu, Tingting; Fan, Lihui; Zhou, Ping; He, Yabing","A hydrostable cage-based MOF with open metal sites and Lewis basic sites immobilized in the pore surface for efficient separation and purification of natural gas and C2H2.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3553","3561","10.1039/d0dt00402b","","","0.71073","MoKα","","0.0495","0.0458","","","0.2036","0.2129","","","","","","1.004","","","","has coordinates","250297","2020-10-21","18:00:00","" "7704259","23.4251","0.0011","23.4251","0.0011","29.729","0.0018","90","","90","","120","","14127.8","1.3","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C82 H89 B6 Eu3 N36 O6 -","- C82.0014 H89.0016 B6 Eu3 N36 O6 -","- C492.008 H534.01 B36 Eu18 N216 O36 -","6","0.166667","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0529","0.0341","","","0.0613","0.0682","","","","","","1.072","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00","" "7704266","23.392","0.0011","23.392","0.0011","29.8357","0.0014","90","","90","","120","","14138.4","1.2","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C82 H89 B6 Gd3 N36 O6 -","- C82.0014 H89.0016 B6 Gd3 N36 O6 -","- C492.008 H534.01 B36 Gd18 N216 O36 -","6","0.166667","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","","0.71073","MoKα","","0.0399","0.0333","","","0.0666","0.0713","","","","","","1.214","","","","has coordinates,has disorder","253924","2020-10-21","18:00:00","" "7704870","21.029","0.004","21.029","0.004","143.48","0.06","90","","90","","120","","54949","3","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C66 H100.2 Ca Cl2 Mn6 N6 O46.1 -","- C66 H89.25 Ca Cl2 Mn6 N6 O46.1 -","- C1584 H2142 Ca24 Cl48 Mn144 N144 O1106.4 -","24","0.666667","","Tziotzi, Thomais G.; Andreou, Evangelos K.; Tzanetou, Eirini; Kalofolias, Dimitris A.; Cutler, Daniel J.; Weselski, Marek; Siczek, Milosz; Lis, Tadeusz; Brechin, Euan K.; Milios, Constantinos J.","The first amino acid bound manganese-calcium clusters: a {[MnCa]2} methylalanine complex, and a [MnCa] trigonal prism.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10339","10343","10.1039/d0dt01916j","","","0.71073","MoKα","","0.1749","0.1061","","","0.1777","0.2075","","","","","","1.125","","","","has coordinates,has disorder","257535","2020-10-21","18:00:00","" "7705390","29.373","0.004","29.373","0.004","20.654","0.004","90","","90","","120","","15432","4","200","","200","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C32 H46 Cu N2 O4 -","- C32 H46 Cu N2 O4 -","- C576 H828 Cu18 N36 O72 -","18","0.5","","Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.","Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12990","13002","10.1039/d0dt02524k","","x-ray","0.71073","MoKα","","0.0904","0.0684","","","0.1861","0.2187","","","","","","1.139","","","","has coordinates","257507","2020-10-21","18:00:00","" "7706957","19.005","0.008","19.005","","70.25","0.03","90","","90","","120","","21974","13","173","0.2","173","0.2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","20180728_mikami_R3c","","","- C966 H768 Ag36 B12 Cl72 Cu12 F48 P36 -","- C966 H768 Ag36 B12 Cl72 Cu12 F48 P36 -","- C966 H768 Ag36 B12 Cl72 Cu12 F48 P36 -","1","0.0277778","","Mikami, Kaiyu; Hui, Shen; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu","The [Ag25Cu4H8Br6(CCPh)12(PPh3)12]3+ : Ag13H8 silver hydride core protected by [CuAg3(CCPh)3(PPh3)3]+ motifs.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5659","5665","10.1039/d1dt00294e","","","0.71073","MoKa","","0.0502","0.0419","","","0.1147","0.1237","","","","","","1.06","","","","has coordinates","264898","2021-05-05","08:38:09","" "7706958","19.036","","19.036","","71.299","","90","","90","","120","","22375.1","","173","2","173","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C165 H138 Ag6 B2 Cl6 Cu2 F8 P6 -","- C165 H138 Ag6 B2 Cl6 Cu2 F8 P6 -","- C990 H828 Ag36 B12 Cl36 Cu12 F48 P36 -","6","0.166667","","Mikami, Kaiyu; Hui, Shen; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu","The [Ag25Cu4H8Br6(CCPh)12(PPh3)12]3+ : Ag13H8 silver hydride core protected by [CuAg3(CCPh)3(PPh3)3]+ motifs.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5659","5665","10.1039/d1dt00294e","","","0.71073","MoKa","","0.0552","0.0451","","","0.1097","0.1224","","","","","","1.101","","","","has coordinates,has disorder","264898","2021-05-05","08:38:18","" "7707869","14.8465","0.0013","14.8465","0.0013","85.868","0.008","90","","90","","120","","16391","3","133","2","133","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C96 H108 Fe2 K2 N8 O9 P6 -","- C96 H108 Fe2 K2 N8 O9 P6 -","- C576 H648 Fe12 K12 N48 O54 P36 -","6","0.166667","","Sun, Chen; Oswald, Victoria F.; Hill, Ethan A.; Ziller, Joseph W.; Borovik, A. S.","Investigation of iron-ammine and amido complexes within a C3-symmetrical phosphinic amido tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11197","11205","10.1039/d1dt01032h","","","0.71073","MoKα","","0.085","0.0504","","","0.1086","0.1256","","","","","","1.029","","","","has coordinates,has disorder","268741","2021-09-06","11:05:25","" "7707937","9.509","0.0002","9.509","0.0002","42.3552","0.0008","90","","90","","120","","3316.71","0.12","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- B2 O25 Pb6 Si8 -","- B2.036 O25 Pb6 Si7.964 -","- B12.216 O150 Pb36 Si47.784 -","6","0.166667","","Chang, Ling-Wei; Lii, Kwang-Hwa","High-temperature, high-pressure hydrothermal synthesis, crystal structure, and solid state NMR spectroscopy of a lead borosilicate with boron-silicon mixing: Pb6B2Si8O25.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11173","11179","10.1039/d1dt02027g","","","0.71073","MoKα","","0.0183","0.0147","","","0.0301","0.0309","","","","","","1.126","","","","has coordinates,has disorder","268742","2021-09-06","11:05:41","" "7708991","15.5565","0.0004","15.5565","0.0004","48.5419","0.0017","90","","90","","120","","10173.5","0.5","170","2","170","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C30 H112 Cu3 N12 O20 S8 Sb2 -","- C30 H108 Cu3 N12 O19.9998 S8 Sb2 -","- C180 H648 Cu18 N72 O119.999 S48 Sb12 -","6","0.166667","","Danker, Felix; Engesser, Tobias A.; Broich, Dario; Näther, Christian; Bensch, Wolfgang","The cation and anion bonding modes make a difference: an unprecedented layered structure and a tri(hetero)nuclear moiety in thioantimonates(v)","Dalton Transactions","2021","","","","","10.1039/D1DT03014K","","","0.71073","MoKα","","0.0434","0.0386","","","0.1005","0.1042","","","","","","1.144","","","","has coordinates","270970","2021-12-02","00:05:57","" "7709054","31.8024","0.0005","31.8024","0.0005","32.0143","0.0007","90","","90","","120","","28041.1","0.9","100","0.1","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C64 H116.69 Cl2.36 Dy8 N13.65 O41.95 -","- C51 H63.276 Cl2.72 Dy7.997 N13.722 O28.724 -","- C612 H759.312 Cl32.64 Dy95.964 N164.664 O344.688 -","12","0.333333","","Li, Yun-Lan; Wang, Hai-Ling; Zhu, Zhong-Hong; Li, Juan; Zou, Hua-Hong; Peng, Jin-Mei; Liang, Fu-Pei","Truncation reaction regulates the out-to-in growth mechanism to decrypt the formation of brucite-like dysprosium clusters.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","197","202","10.1039/d1dt03137f","","","0.71073","MoKα","","0.0506","0.0392","","","0.0981","0.1085","","","","","","1.102","","","","has coordinates,has disorder","272656","2022-02-04","19:33:18","" "7709233","14.5511","0.0004","14.5511","0.0004","39","0.002","90","","90","","120","","7151.3","0.5","295.15","","295.15","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C36 H42 B3 F12 Fe N6 O6 -","- C36 H42 B3 F12 Fe N6 O6 -","- C216 H252 B18 F72 Fe6 N36 O36 -","6","0.166667","","Garg, Nitish Kumar; Goriya, Yogesh; Seetharaman, Manojveer; Muratović, Senada; Pajić, Damir; Cetina, Mario; Petreska, Irina; Krupskaya, Yulia; Kataev, Vladislav; Johnson, Magnus T.; Wendt, Ola F.; Žilić, Dijana","Mononuclear Iron(III) Complex with Unusual Temperature Change of Color and Magneto-Structural Properties: Synthesis, Structure, Magnetization, Multi-frequency ESR and DFT Study","Dalton Transactions","2022","","","","","10.1039/D1DT03751J","","x-ray","0.71073","MoKα","","0.058","0.0494","","","0.1503","0.1607","","","","","","1.073","","","","has coordinates,has disorder","271822","2022-01-05","23:53:55","" "7709234","14.3913","0.0007","14.3913","0.0007","38.125","0.004","90","","90","","120","","6838.2","0.9","125","","125","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C36 H42 B3 F12 Fe N6 O6 -","- C36 H42 B3 F12 Fe N6 O6 -","- C216 H252 B18 F72 Fe6 N36 O36 -","6","0.166667","","Garg, Nitish Kumar; Goriya, Yogesh; Seetharaman, Manojveer; Muratović, Senada; Pajić, Damir; Cetina, Mario; Petreska, Irina; Krupskaya, Yulia; Kataev, Vladislav; Johnson, Magnus T.; Wendt, Ola F.; Žilić, Dijana","Mononuclear Iron(III) Complex with Unusual Temperature Change of Color and Magneto-Structural Properties: Synthesis, Structure, Magnetization, Multi-frequency ESR and DFT Study","Dalton Transactions","2022","","","","","10.1039/D1DT03751J","","x-ray","0.71073","MoKα","","0.136","0.0826","","","0.2167","0.2693","","","","","","1.04","","","","has coordinates","271822","2022-01-05","23:53:55","" "7709565","28.337","0.0012","28.337","0.0012","87.124","0.004","90","","90","","120","","60587","5","120.02","","120.02","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C96 H382 N76 O2 S93 Sn24 Zn26 -","- O1.9998 S93 Sn24 Zn26 -","- O11.9988 S558 Sn144 Zn156 -","6","0.166667","","Liu, Chengdong; Ding, Yayun; Wang, Xiang; Zhou, Rui","Two new metal-chalcogenide-cluster-based frameworks with single metal ions of Zn2+(/Sb3+) serving as inter-cluster linkers","Dalton Transactions","2022","","","","","10.1039/D1DT04132K","","","0.71073","MoKα","","0.0737","0.0429","","","0.0922","0.1022","","","","","","0.945","","","","has coordinates,has disorder","273017","2022-02-18","00:00:20","" "7709609","13.1449","0.0005","13.1449","0.0005","86.201","0.004","90","","90","","120","","12899","0.9","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","Ga(N(C6F5)2)3 x PMe3","","- C42.57 H13.08 F30 Ga N3 P -","- C42.57 H13.08 F30 Ga N3 P -","- C510.84 H156.96 F360 Ga12 N36 P12 -","12","0.333333","","Kögel, Julius F; Sorokin, Denis A.; Scott, Martin; Harms, Klaus; Himmel, Daniel; Krossing, Ingo; Sundermeyer, Jörg","Lewis Acid-Base Adducts of Al(N(C6F5)2)3 and Ga(N(C6F5)2)3 – Structural Features and Adduct Formation Enthalpies","Dalton Transactions","2022","","","","","10.1039/D2DT00003B","","","0.71073","MoKα","","0.0877","0.0358","","","0.0639","0.0759","","","","","","0.927","","","","has coordinates,has disorder","273172","2022-02-25","23:53:54","" "7709720","32.8046","0.0017","32.8046","0.0017","20.4318","0.0012","90","","90","","120","","19041.7","1.8","150","","150","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C38 H46 Au2 N4 S4 -","- C38 H46 Au2 N4 S4 -","- C684 H828 Au36 N72 S72 -","18","0.5","","Krätschmer, Frederic; Gui, Xin; Gamer, Michael T.; Klopper, Wim; Roesky, Peter W.","Systematic investigation of the influence of electronic substituents on dinuclear gold(i) amidinates: synthesis, characterisation and photoluminescence studies","Dalton Transactions","2022","","","","","10.1039/D1DT03795A","","x-ray","0.71073","MoKα","","0.1384","0.0772","","","0.2172","0.2675","","","","","","1.03","","","","has coordinates","273627","2022-03-11","00:06:32","" "7710408","9.25","0.0002","9.25","0.0002","23.0532","0.0006","90","","90","","120","","1708.23","0.07","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C H12 Cd N3 O6 P3 -","- C H12 Cd N3 O6 P3 -","- C6 H72 Cd6 N18 O36 P18 -","6","0.166667","","Mączka, Mirosław; Gągor, Anna; Stefańska, Dagmara; Zaręba, Jan K.; Pikul, Adam","Structural, magnetic and photoluminescence properties of new hybrid hypophosphites: discovery of the first noncentrosymmetric and two cobalt-based members","Dalton Transactions","2022","","","","","10.1039/D2DT01212J","","x-ray","0.71073","MoKα","","0.0199","0.0184","","","0.0441","0.045","","","","","","1.076","","","","has coordinates","275844","2022-06-06","22:57:23","" "7710776","9.11227","0.00004","9.11227","0.00004","22.3247","0.0003","90","","90","","120","","1605.35","0.02","293","","293","1","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Na3.603Lu1.9(PO4)3","","","- Lu1.9 Na3.603 O12 P3 -","- Lu1.9 Na3.597 O12 P3 -","- Lu11.4 Na21.582 O72 P18 -","6","0.166667","","Krutyak, Nataliya; Spassky, Dmitry; Deyneko, Dina V.; Antropov, Andrey; Morozov, Vladimir A.; Lazoryak, Bogdan I.; Nagirnyi, Vitali","NASICON-type Na3.6Lu1.8−x(PO4)3:xEu3+ phosphors: structure and luminescence","Dalton Transactions","2022","","","","","10.1039/D2DT01741E","powder diffraction","x-ray","1.78892","CoKα~1~","","0.0197","0.0197","","0.0541","0.0541","","","","18.91","","","","","","","has coordinates","276846","2022-07-23","00:24:51","" "7712154","34.0344","0.0002","34.0344","0.0002","21.8653","0.0003","90","","90","","120","","21934.2","0.4","170","2","170","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C31.8 H33.7 Cl6 Fe4 N4.7 O6.4 -","- C31.8 H30 Cl6 Fe4 N4.7 O6.4 -","- C572.4 H540 Cl108 Fe72 N84.6 O115.2 -","18","0.5","","Tzani, Sofia; Pissas, Michael; Psycharis, Vassilis; Pantazis, Dimitrios A.; Sanakis, Yiannis; Raptopoulou, Catherine P.","Synthesis and structural, magnetic and spectroscopic characterization of iron(III) complexes with in situ formed ligands from methyl-2-pyridyl ketone transformations.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1582","1594","10.1039/d2dt03944c","","","1.54178","CuKα","","0.0784","0.0553","","","0.1346","0.1583","","","","","","1.086","","","","has coordinates,has disorder","283296","2023-05-05","02:15:16","" "7712194","15.5252","0.0003","15.5252","0.0003","60.112","0.002","90","","90","","120","","12547.8","0.5","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C78 H74 Ce2 N6 O25 P6 -","- C78 H72 Ce2 N6 O24.9998 P6 -","- C468 H432 Ce12 N36 O149.999 P36 -","6","0.166667","","Pilichos, Evangelos; Tubau, Ànnia; Speed, Saskia; Font-Bardia, Mercè; Escuer, Albert; Grabulosa, Arnald; Mayans, Júlia","Magnetic and optical studies of a new family of multidimensional and multiproperty PO-lanthanide(III) derived systems.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2485","2494","10.1039/d2dt03621e","","","0.71073","MoKα","","0.0826","0.048","","","0.1138","0.1293","","","","","","1.045","","","","has coordinates,has disorder","283250","2023-05-05","01:48:27","" "7712386","17.626","0.0003","17.626","0.0003","154.6133","0.0019","90","","90","","120","","41599.2","1.1","99.8","0.9","100.15","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C147.5 H152 Cu14 O5.5 P7 S3 -","- C138 H142 Cu14 P7 S3 -","- C1656 H1704 Cu168 P84 S36 -","12","0.333333","","Wang, Lin; Yan, Xiaodan; Tian, Guolong; Xie, Zhenlang; Shi, Shanshan; Zhang, Yuhao; Li, Simin; Sun, Xueli; Sun, Jing; He, Jinlu; Shen, Hui","Chiral copper-hydride nanoclusters: synthesis, structure, and assembly.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03788b","","","1.54184","CuKα","","0.0377","0.0339","","","0.0873","0.0897","","","","","","1.038","","","","has coordinates","281106","2023-02-23","08:54:47","" "7712403","7.2611","0.0005","7.2611","0.0005","45.873","0.005","90","","90","","120","","2094.6","0.3","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C2.4 H2.4 Ba0.4 Fe0.4 K0.8 N2.4 O1.2 -","- C2.4 H2.4 Ba0.4 Fe0.4 K0.8 N2.4 O1.2 -","- C36 H36 Ba6 Fe6 K12 N36 O18 -","15","0.416667","","Qiao, Xianji; Qiu, Yi; Xin, Junjie; Da, Chen; Ma, Zili; Corkett, Alex; Cai, Guohong; Cai, Guanqun; Qu, Shangqing; Wang, Yuchao; Zhu, Zhenyu; Gao, Yiman; Wang, Zhigang; Dronskowski, Richard; Li, Guobao; Sun, Junliang","Synthesis, Crystal Structures and Semiconducting Properties of New Hexacyanidomettallates","Dalton Transactions","2023","","","","","10.1039/D3DT00384A","","","0.71073","MoKα","","0.0163","0.0138","","","0.0356","0.0367","","","","","","1.074","","","","has coordinates,has disorder","281139","2023-02-25","08:39:03","" "7712635","15.1883","0.0004","15.1883","0.0004","85.428","0.004","90","","90","","120","","17066.7","1","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C41.5 H29 Cl4.49 D1.16 N5 O Ru -","- C41.4967 H29 Cl4.49007 D1.16333 N5 O Ru -","- C746.941 H522 Cl80.8212 D20.94 N90 O18 Ru18 -","18","0.5","","Volostnykh, Marina V.; Kirakosyan, Gayane; Sinelshchikova, Anna A.; Loboda, Polina; Dorovatovskii, Pavel; Maxim, Mihailov; Tsivadze, Aslan Yu; Sokolov, Maksim Nailyevich; Gorbunova, Yulia G.","Supramolecular Hybrids Based on Ru(II) Porphyrin and Octahedral Mo(II) Iodide Cluster","Dalton Transactions","2023","","","","","10.1039/D3DT00251A","","","0.71073","MoKα","","0.0768","0.0637","","","0.1614","0.1712","","","","","","1.102","","","","has coordinates,has disorder","281899","2023-03-15","23:59:41","" "7712708","10.8117","0.0008","10.8117","0.0008","37.472","0.004","90","","90","","120","","3793.4","0.6","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C12 H25 F6 N24 P -","- C12 H24.9999 F5.9994 N24 P -","- C72 H149.999 F35.9964 N144 P6 -","6","0.166667","","Liu, Lehui; Zhang, Lizhen; yuan, feifei; Huang, Yisheng; Lin, Zhoubin","Two UV Optical Crystals with Strong Optical Anisotropy, Large Band Gaps and α-BBO Type Structure","Dalton Transactions","2023","","","","","10.1039/D3DT00581J","","x-ray","1.3405","GaKα","","0.0589","0.0491","","","0.1366","0.1464","","","","","","1.046","","","","has coordinates","282139","2023-03-30","23:11:01","" "7712809","12.6906","0.0001","12.6906","0.0001","44.8678","0.0005","90","","90","","120","","6257.92","0.1","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C18 H18 In N3 Se3 -","- C18 H18 In N3 Se3 -","- C216 H216 In12 N36 Se36 -","12","0.333333","","Karmakar, Gourab; Dutta Pathak, Dipa; Tyagi, Adish; Mandal, Balaji P.; Wadawale, Amey; Gotluru, Kedarnath","Molecular Precursor Mediated Selective Synthesis of Phase Pure Cubic InSe and Hexagonal In2Se3 Nanostructures: New Anode Materials for Li-ion Batteries","Dalton Transactions","2023","","","","","10.1039/D3DT00234A","","x-ray","1.54184","CuKα","","0.0251","0.0249","","","0.06","0.0601","","","","","","1.125","","","","has coordinates","282707","2023-04-18","23:39:10","" "7714899","27.7454","0.0003","27.7454","0.0003","42.2217","0.0007","90","","90","","120","","28148.1","0.6","100","0.1","100","0.1","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C126 H72 Ag6 N12 O56 Ti12 -","- C114 H78 Ag6 N12 O54 Ti12 -","- C684 H468 Ag36 N72 O324 Ti72 -","6","0.166667","","Rong, Li-Jun; Ye, Yu-Ting; Lin, Xin; Sun, Xiaohui; Chen, Shumei; Zhang, Jian; Zhang, Lei","Structure and optical limiting effects of heterometallic Ag6@Ti12 and Ag8@Ti12 oxo clusters regulated by alkynyl ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","1947","1950","10.1039/d3dt03941b","","x-ray","0.71073","MoKα","","0.0655","0.0555","","","0.1676","0.1831","","","","","","1.034","","","","has coordinates,has disorder","289486","2024-02-04","11:51:29","" "7715140","27.8759","0.0004","27.8759","0.0004","22.0267","0.0004","90","","90","","120","","14823.1","0.4","150","0.1","150","0.1","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C35.25 H48 Cu N2 -","- C34 H45 Cu N2 -","- C612 H810 Cu18 N36 -","18","0.5","","Babula, Dawid J.; Charman, Rex S. C.; Hobson, Josie A.; Mahon, Mary F.; Liptrot, David J.","Dial-a-base mechanochemical synthesis of N-heterocyclic carbene copper complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","3990","3993","10.1039/d4dt00334a","","x-ray","1.54184","CuKα","","0.0588","0.0479","","","0.1334","0.1422","","","","","","1.036","","","","has coordinates,has disorder","290208","2024-03-04","20:24:36","" "7715449","12.8086","0.0003","12.8086","0.0003","100.294","0.003","90","","90","","120","","14249.8","0.6","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Bi3 Cl16 K7 -","- Bi3 Cl16 K7 -","- Bi54 Cl288 K126 -","18","0.5","","Yang, Wenjian; Zhang, Jingshen; Xiong, Hui; Lan, Jing; Yuan, Songyang; Zhan, Mengdi; Tan, Ziyu; Li, Wenzhe; Fan, Jiandong","Emerging lead-free all inorganic perovskite single crystals K7Bi3X16 (X = Cl, Br) toward photodetector application.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6609","6617","10.1039/d3dt03872f","","x-ray","0.71073","MoKα","","0.0436","0.0298","","","0.0714","0.0757","","","","","","1.04","","","","has coordinates","291652","2024-05-05","03:10:32","" "7715579","16.67","0.002","16.67","0.002","53.676","0.011","90","","90","","120","","12918","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C84 H120 Mn3 N6 O12 -","- C84 H120 Mn3 N6 O12 -","- C504 H720 Mn18 N36 O72 -","6","0.166667","","Shcherbakov, Igor N.; Krotkii, Ilya I.; Kazachkova, Victoria I.; Lyubchenko, Sergey N.; Efimov, Nikolay N.; Tsaturyan, Arshak A.; Lazarenko, Vladimir A.","Field induced slow magnetic relaxation in a linear homotrinuclear manganese heterospin coordination compound with S = 7/2 ground state and intriguing spin density distribution.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6860","6864","10.1039/d3dt04123a","","","0.7527","synchrotron","","0.1212","0.0601","","","0.1312","0.1586","","","","","","1.05","","","","has coordinates","291632","2024-05-05","02:55:11","" "8000220","5.5587","","5.5587","","13.629","","90","","90","","120","","364.704","","","","","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","(La0.8 Sr0.2) (Ga0.8 Mg0.15 Co0.05) O2.8","","- Co0.05 Ga0.8 La0.8 Mg0.15 O2.8 Sr0.2 -","- Co0.05 Ga0.8 La0.8 Mg0.15 O2.7999 Sr0.2 -","- Co0.3 Ga4.8 La4.8 Mg0.9 O16.7994 Sr1.2 -","6","0.166667","","Yashima, M.; Nomura, K.; Kageyama, H.; Adachi, K.; Chitose, N.; Miyazaki, Y.","Conduction path and disorder in the fast oxide-ion conductor (La0.8 Sr0.2) (Ga0.8 Mg0.15 Co0.05) O2.8","Chemical Physics Letters","2003","380","","391","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","159402","2020-10-21","18:00:00","" "8000243","15.6182","0.0004","15.6182","0.0004","22.4337","0.0007","90","","90","","120","","4739.1","0.2","328","2","328","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C15 H36 Cl9 N3 Sb2 -","- C15 H36 Cl9 N3 Sb2 -","- C90 H216 Cl54 N18 Sb12 -","6","0.166667","","Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua","Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.","The journal of physical chemistry letters","2017","8","9","2012","2018","10.1021/acs.jpclett.7b00673","","","1.54184","CuKα","","0.0438","0.0376","","","0.117","0.1284","","","","","","1.065","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00","" "8000244","15.8386","0.0004","15.8386","0.0004","22.839","0.0007","90","","90","","120","","4961.8","0.2","338","2","338","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C15 H36 Br3 Cl6 N3 Sb2 -","- C15 H36 Br3 Cl6 N3 Sb2 -","- C90 H216 Br18 Cl36 N18 Sb12 -","6","0.166667","","Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua","Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.","The journal of physical chemistry letters","2017","8","9","2012","2018","10.1021/acs.jpclett.7b00673","","","1.54184","CuKα","","0.1497","0.1345","","","0.3039","0.3124","","","","","","1.67","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00","" "8000245","15.9951","0.0004","15.9951","0.0004","23.1124","0.0007","90","","90","","120","","5120.9","0.2","335","2","335","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C15 H36 Br9 N3 Sb2 -","- C15 H36 Br9 N3 Sb2 -","- C90 H216 Br54 N18 Sb12 -","6","0.166667","","Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua","Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.","The journal of physical chemistry letters","2017","8","9","2012","2018","10.1021/acs.jpclett.7b00673","","","1.54184","CuKα","","0.0604","0.0504","","","0.1491","0.1621","","","","","","1.097","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00","" "8100138","17.5893","0.0006","17.5893","0.0006","40.1964","0.0018","90","","90","","120","","10770","0.7","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H54 N21 Nd O27 -","- C72 H54 N21 Nd O27 -","- C432 H324 N126 Nd6 O162 -","6","0.166667","","Wei, Dan-Yi; Xie, Hong-Zhen; Zheng, Yue-Qing","Crystal structure of hexaphenanthrolinium (hexanitrato)-neodymate(III) trinitrate, (C~12~H~9~N~2~)~6~[Nd(NO~3~)~6~](NO~3~)~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","239","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100237","8.234","0.003","8.234","0.003","44.12","0.02","90","","90","","120","","2590.5","1.8","293","2","295.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ba6 In5 N -","- Ba6 In5 N -","- Ba36 In30 N6 -","6","0.166667","","Schlechte, Andreas; Prots, Yurii; Niewa, Rainer","Crystal structure of hexabarium mononitride pentaindide, (Ba~6~N) [In~5~]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","349","350","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100312","14.9518","0.0009","14.9518","0.0009","13.809","0.002","90","","90","","120","","2673.5","0.4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- B H6 Mg O8 P -","- B H6 Mg O8 P -","- B18 H108 Mg18 O144 P18 -","18","0.5","","Shi, Heng-Zhen; Shan, Yong-Kui; He, Ming-Yuan; Liu, Yu-Yan","Crystal structure of diaquamagnesium (dihydrogenmonoborate-monophosphate), Mg[BPO~4~(OH)~2~](H~2~O)~2~, containing isolated six-membered rings of tetrahedra","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","1","21","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8100358","8.8936","0.0009","8.8936","0.0009","13.052","0.003","90","","90","","120","","894","0.2","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B2 Hg3 O6 -","- B2 Hg3 O6 -","- B12 Hg18 O36 -","6","0.166667","","Weil, Matthias","Refinement of the crystal structure of trimercury(II) orthoborate, Hg~3~(BO3)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","2","155","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100893","5.012","0.004","5.012","0.004","12.99","0.01","90","","90","","120","","282.7","","293","2","293","2","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- F3 Ga -","- F3 Ga -","- F18 Ga6 -","6","0.166667","","Roos, Meike; Meyer, Gerd","Refinement of the crystal structure of gallium trifluoride, GaF~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","18","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100982","13.107","0.002","13.107","0.002","18.333","0.003","90","","90","","120","","2727.4","0.6","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Cl9 Cs3 Y2 -","- Cl9 Cs3 Y2 -","- Cl54 Cs18 Y12 -","6","0.166667","","Drozdzynski, J.; Kossowski, K.; Meyer, G.; Müller, I.; Wickleder, M. S.","Refinement of the crystal structure of tricesium diyttrium nonachloride, Cs~3~Y~2~Cl~9~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","179","179","","","","","","","","0.0419","","","0.0697","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8102425","8.1929","0.0003","8.1929","0.0003","22.2399","0.0015","90","","90","","120","","1292.82","0.11","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","catena-(dimethylammonium) tris(υ~2~-formato)-copper(II))","","- C5 H11 Cu N O6 -","- C5 H10.98 Cu N0.99 O6 -","- C30 H65.88 Cu6 N5.94 O36 -","6","0.166667","","Shu-Qing Xu; Jia-Ming Li","Crystal structure of catena-(dimethylammonium) tris(m2-formato)copper(II), [C2H8N][Cu(CHO2)3]","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","3","383","","","","","0.71073","MoKα","","0.0297","0.0293","","","0.1219","0.1229","","","","","","1.049","","","","has coordinates","176728","2020-10-21","18:00:00","" "8103427","8.903","","8.903","","18.09","","90","","90","","120","","1241.77","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","K3 (Au Se2)","","- Au K3 Se2 -","- Au K3 Se2 -","- Au6 K18 Se12 -","6","0.166667","","Klepp, K.O.; Weithaler, C.","Crystal structure of tripotassium diselenoaurate(I), K3 Au Se2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","221","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8103438","8.109","","8.109","","21.055","","90","","90","","120","","1199","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Yb Au3 Ga7","","- Au3 Ga7 Yb -","- Au3 Ga7 Yb -","- Au18 Ga42 Yb6 -","6","0.166667","","Cordier, G.; Dietrich, C.","Crastal structure of ytterbium gold gallium, Yb Au3 Ga7 in the Sc Rh3 Si7-type","Zeitschrift fuer Kristallographie - New Crystal Structures","1996","211","","118","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8103469","4.6723","","4.6723","","14.9494","","90","","90","","120","","282.628","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Ti (B O3)","","- B O3 Ti -","- B O3 Ti -","- B6 O18 Ti6 -","6","0.166667","","Deiseroth, H.J.; Huber, M.","Crystal structure of titanium(III) borate, Ti B O3","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","685","685","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8103485","10.029","","10.029","","14.533","","90","","90","","120","","1265.91","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Ba2 Ni9 B6","","- B6 Ba2 Ni9 -","- B6 Ba2 Ni9 -","- B36 Ba12 Ni54 -","6","0.166667","","Quentmeier, D.; Jung, W.","The crystal structure of Ba2 Ni9 B6","Zeitschrift fuer Kristallographie (149,1979-)","1980","151","","172","174","10.1524/zkri.1980.151.1-2.172","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8103514","4.649","","4.649","","12.687","","90","","90","","120","","237.47","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Kim-Zajonz, J.; Werner, S.; Schulz, H.","High pressure single crystal X-ray diffraction study on ruby up to 31 GPa","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","331","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "8103568","9.076","","9.076","","46.05","","90","","90","","120","","3285.1","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Rb2 (Hg (C N)4)","","- C4 Hg N4 Rb2 -","- C4 Hg N4 Rb2 -","- C48 Hg12 N48 Rb24 -","12","0.333333","","Kluefers, R.; Fuess, H.; Haussuehl, S.","X-ray and neutron diffraction studies of the ferroelectric phase of Rb2 Hg (C N)4","Zeitschrift fuer Kristallographie (149,1979-)","1981","156","","255","263","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103615","5.0655","","5.0655","","16.577","","90","","90","","120","","368.367","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Na (N O3)","","- N Na O3 -","- N Na O3 -","- N6 Na6 O18 -","6","0.166667","","Gonschorek, G.; Miehe, G.; Weitzel, H.; Fuess, H.; Schmahl, W.W.","The crystal structures of Na N O3 at 100 K, 120 K, and 563 K","Zeitschrift fuer Kristallographie (149,1979-)","2000","215","","752","756","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103667","10.1264","","10.1264","","38.678","","90","","90","","120","","3434.83","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Pb3 Si2 O7","","- O7 Pb3 Si2 -","- O7 Pb3 Si2 -","- O126 Pb54 Si36 -","18","0.5","","Petter, W.; Harnik, A.B.; Keppler, U.","Die Kristallstruktur von Blei-Barysilit, Pb3Si2O7","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1971","133","","445","458","","","","","","","","","","","","","","","","","","","","","","has coordinates","149739","2020-10-21","18:00:00","" "8103766","4.77","","4.77","","13.02","","90","","90","","120","","256.554","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(Al.948 Cr.052)2 O3","","- Al1.896 Cr0.104 O3 -","- Al1.896 Cr0.104 O3 -","- Al11.376 Cr0.624 O18 -","6","0.166667","","McCauley, J.W.; Gibbs, G.V.","Redetermination of the chromium position in ruby","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1972","135","","453","455","","","","","","","","","","","","","","","","","","","","","","has coordinates","157364","2020-10-21","18:00:00","" "8103813","8.6238","","8.6238","","16.934","","90","","90","","120","","1090.66","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- D2 O -","- D2 O -","- D96 O48 -","48","1.33333","","Klotz, S.; Hamel, G.; Nelmes, R.J.; Loveday, J.S.; Guthrie, M.","Recrystallisation of HDA ice under pressure by in-situ neutron diffraction to 3.9 GPa","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","117","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "8106838","13.331","0.0013","13.331","0.0013","58.07","0.009","90","","90","","120","","8937.3","1.9","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","[Tri(3-(2-pyridyl)pyrazole)zinc(II)] Zinc(II) Tetrachloride","","- C24 H21 Cl4 N9 Zn2 -","- C24 H21 Cl4 N9 Zn2 -","- C288 H252 Cl48 N108 Zn24 -","12","0.333333","","Zhu, Guang-Zhou; Li, Chun-Ling; Wang, Ao-Lan; Wang, Shi-Yu; Zou, Dan-Ling; Zhang, Xiao-Jing; Yang, Feng-Lei","Crystal structure of tris(3-(2-pyridyl)pyrazole)zinc(II)tetrachlorido zincate(II), C24H21Cl4N9Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","241","242","10.1515/ncrs-2015-0104","","","0.71073","MoKα","","0.0725","0.0408","","","0.1132","0.1491","","","","","","1.006","","","","has coordinates","281658","2023-03-06","09:12:14","" "9000095","4.99","","4.99","","17.0615","","90","","90","","120","","367.916","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Graf, D. L.","Crystallographic tables for the rhombohedral carbonates","American Mineralogist","1961","46","","1283","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40","" "9000096","4.633","","4.633","","15.016","","90","","90","","120","","279.132","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Graf, D. L.","Crystallographic tables for the rhombohedral carbonates","American Mineralogist","1961","46","","1283","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40","" "9000097","4.7771","","4.7771","","15.664","","90","","90","","120","","309.572","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Rhodochrosite","- C Mn O3 -","- C Mn O3 -","- C6 Mn6 O18 -","6","0.166667","","Graf, D. L.","Crystallographic tables for the rhombohedral carbonates","American Mineralogist","1961","46","","1283","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40","" "9000098","4.6887","","4.6887","","15.373","","90","","90","","120","","292.681","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C Fe O3 -","- C6 Fe6 O18 -","6","0.166667","","Graf, D. L.","Crystallographic tables for the rhombohedral carbonates","American Mineralogist","1961","46","","1283","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40","" "9000099","4.6528","","4.6528","","15.025","","90","","90","","120","","281.692","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Smithsonite","- C O3 Zn -","- C O3 Zn -","- C6 O18 Zn6 -","6","0.166667","","Graf, D. L.","Crystallographic tables for the rhombohedral carbonates","American Mineralogist","1961","46","","1283","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40","" "9000100","4.9204","","4.9204","","16.298","","90","","90","","120","","341.716","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Otavite","- C Cd O3 -","- C Cd O3 -","- C6 Cd6 O18 -","6","0.166667","","Graf, D. L.","Crystallographic tables for the rhombohedral carbonates","American Mineralogist","1961","46","","1283","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40","" "9000101","4.6581","","4.6581","","14.958","","90","","90","","120","","281.075","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Spherocobaltite","- C Co O3 -","- C Co O3 -","- C6 Co6 O18 -","6","0.166667","","Graf, D. L.","Crystallographic tables for the rhombohedral carbonates","American Mineralogist","1961","46","","1283","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40","" "9000102","4.5975","","4.5975","","14.723","","90","","90","","120","","269.507","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Gaspeite","- C Ni O3 -","- C Ni O3 -","- C6 Ni6 O18 -","6","0.166667","","Graf, D. L.","Crystallographic tables for the rhombohedral carbonates","American Mineralogist","1961","46","","1283","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40","" "9000103","4.8797","","4.8797","","16.367","","90","","90","","120","","337.509","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","Kutnohorite","- C Ca0.5 Mn0.5 O3 -","- C Ca0.5 Mn0.5 O3 -","- C6 Ca3 Mn3 O18 -","6","0.166667","","Graf, D. L.","Crystallographic tables for the rhombohedral carbonates Note: Disordered model","American Mineralogist","1961","46","","1283","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40","" "9000104","4.796","","4.796","","15.48","","90","","90","","120","","308.361","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Cu O3 -","- C Cu O3 -","- C6 Cu6 O18 -","6","0.166667","","Graf, D. L.","Crystallographic tables for the rhombohedral carbonates","American Mineralogist","1961","46","","1283","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40","" "9000139","5.038","","5.038","","13.772","","90","","90","","120","","302.722","","","","","","","","","","","","Elba, Italy","2","R -3 c :H","-R 3 2""c","167","","","Hematite","- Fe2 O3 -","- Fe2 O3 -","- Fe12 O18 -","6","0.166667","","Blake, R. L.; Hessevick, R. E.; Zoltai, T.; Finger, L. W.","Refinement of the hematite structure","American Mineralogist","1966","51","","123","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59","" "9000380","4.637","","4.637","","15.023","","90","","90","","120","","279.744","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Oh, K. D.; Morikawa, H.; Iwai, S. I.; Aoki, H.","The crystal structure of magnesite","American Mineralogist","1973","58","","1029","1033","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59","" "9000574","4.941","","4.941","","16.864","","90","","90","","120","","356.55","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca0.9 Mg0.1 O3 -","- C Ca0.9 Mg0.1 O3 -","- C6 Ca5.4 Mg0.6 O18 -","6","0.166667","","Althoff, P. L.","Structural refinements of dolomite and a magnesian calcite and implications for dolomite formation in the marine environment Mg-calcite","American Mineralogist","1977","62","","772","783","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00","" "9000965","4.988","","4.988","","17.061","","90","","90","","120","","367.611","","","","297.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Markgraf, S. A.; Reeder, R. J.","High-temperature structure refinements of calcite and magnesite Sample: T = 24 C","American Mineralogist","1985","70","","590","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40","" "9000966","4.984","","4.984","","17.121","","90","","90","","120","","368.312","","","","473.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Markgraf, S. A.; Reeder, R. J.","High-temperature structure refinements of calcite and magnesite Sample: T = 200 C","American Mineralogist","1985","70","","590","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40","" "9000967","4.98","","4.98","","17.224","","90","","90","","120","","369.933","","","","673.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Markgraf, S. A.; Reeder, R. J.","High-temperature structure refinements of calcite and magnesite Sample: T = 400 C","American Mineralogist","1985","70","","590","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40","" "9000968","4.978","","4.978","","17.354","","90","","90","","120","","372.426","","","","873.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Markgraf, S. A.; Reeder, R. J.","High-temperature structure refinements of calcite and magnesite Sample: T = 600 C","American Mineralogist","1985","70","","590","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40","" "9000969","4.978","","4.978","","17.462","","90","","90","","120","","374.744","","","","1023.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Markgraf, S. A.; Reeder, R. J.","High-temperature structure refinements of calcite and magnesite Sample: T = 750 C","American Mineralogist","1985","70","","590","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40","" "9000970","4.976","","4.976","","17.488","","90","","90","","120","","375","","","","1073.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Markgraf, S. A.; Reeder, R. J.","High-temperature structure refinements of calcite and magnesite Sample: T = 800 C Note: B33 of Ca has been altered from the reported value","American Mineralogist","1985","70","","590","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40","" "9000971","4.635","","4.635","","15.019","","90","","90","","120","","279.429","","","","297.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Markgraf, S. A.; Reeder, R. J.","High-temperature structure refinements of calcite and magnesite Sample: T = 24 C","American Mineralogist","1985","70","","590","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40","" "9000972","4.639","","4.639","","15.065","","90","","90","","120","","280.769","","","","473.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Markgraf, S. A.; Reeder, R. J.","High-temperature structure refinements of calcite and magnesite Sample: T = 200 C","American Mineralogist","1985","70","","590","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40","" "9000973","4.642","","4.642","","15.096","","90","","90","","120","","281.71","","","","573.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Markgraf, S. A.; Reeder, R. J.","High-temperature structure refinements of calcite and magnesite Sample: T = 300 C","American Mineralogist","1985","70","","590","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40","" "9000974","4.646","","4.646","","15.139","","90","","90","","120","","283","","","","673.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Markgraf, S. A.; Reeder, R. J.","High-temperature structure refinements of calcite and magnesite Sample: T = 400 C","American Mineralogist","1985","70","","590","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40","" "9000975","4.65","","4.65","","15.186","","90","","90","","120","","284.367","","","","773.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Markgraf, S. A.; Reeder, R. J.","High-temperature structure refinements of calcite and magnesite Sample: T = 500 C","American Mineralogist","1985","70","","590","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40","" "9001297","4.9673","","4.9673","","16.9631","","90","","90","","120","","362.474","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca0.936 Mg0.064 O3 -","- C Ca0.936 Mg0.064 O3 -","- C6 Ca5.616 Mg0.384 O18 -","6","0.166667","","Paquette, J.; Reeder, R. J.","Single-crystal X-ray structure refinements of two biogenic magnesian calcite crystals sample LS","American Mineralogist","1990","75","","1151","1158","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41","" "9001298","4.9382","","4.9382","","16.832","","90","","90","","120","","355.471","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca0.871 Mg0.129 O3 -","- C Ca0.871 Mg0.129 O3 -","- C6 Ca5.226 Mg0.774 O18 -","6","0.166667","","Paquette, J.; Reeder, R. J.","Single-crystal X-ray structure refinements of two biogenic magnesian calcite crystals sample LB","American Mineralogist","1990","75","","1151","1158","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41","" "9001849","4.6339","","4.6339","","15.0177","","90","","90","","120","","279.272","","","","","","","","0","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Ross, N. L.","The equation of state and high-pressure behaviour of magnesite Sample: at P = 0","American Mineralogist","1997","82","","682","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9001850","4.6149","","4.6149","","14.867","","90","","90","","120","","274.207","","","","","","","","2260000","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Ross, N. L.","The equation of state and high-pressure behaviour of magnesite Sample: at P = 2.26 GPa","American Mineralogist","1997","82","","682","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9001851","4.6068","","4.6068","","14.817","","90","","90","","120","","272.326","","","","","","","","3090000","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Ross, N. L.","The equation of state and high-pressure behaviour of magnesite Sample: at P = 3.09 GPa","American Mineralogist","1997","82","","682","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9001852","4.5988","","4.5988","","14.7525","","90","","90","","120","","270.2","","","","","","","","4160000","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Ross, N. L.","The equation of state and high-pressure behaviour of magnesite Sample: at P = 4.16 GPa","American Mineralogist","1997","82","","682","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9001853","4.5937","","4.5937","","14.7157","","90","","90","","120","","268.928","","","","","","","","4770000","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Ross, N. L.","The equation of state and high-pressure behaviour of magnesite Sample: at P = 4.77 GPa","American Mineralogist","1997","82","","682","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9001854","4.5812","","4.5812","","14.6302","","90","","90","","120","","265.913","","","","","","","","6050000","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Ross, N. L.","The equation of state and high-pressure behaviour of magnesite Sample: at P = 6.05 GPa","American Mineralogist","1997","82","","682","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9002160","5.0145","","5.0145","","13.692","","90","","90","","120","","298.162","","","","586.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Hematite-proto","- Fe1.76 H0.06 O3 -","- Fe1.76 H0.06 O3 -","- Fe10.56 H0.36 O18 -","6","0.166667","","Gualtieri, A.; Venturelli, P.","In situ study of the goethite-hematite phase transformation by real time synchrotron powder diffraction Sample at T = 313 C","American Mineralogist","1999","84","","895","904","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:13:12","" "9002161","5.0258","","5.0258","","13.709","","90","","90","","120","","299.88","","","","790.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Hematite-proto","- Fe1.9 H0.06 O3 -","- Fe1.9 H0.06 O3 -","- Fe11.4 H0.36 O18 -","6","0.166667","","Gualtieri, A.; Venturelli, P.","In situ study of the goethite-hematite phase transformation by real time synchrotron powder diffraction Sample at T = 517 C","American Mineralogist","1999","84","","895","904","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:13:12","" "9002162","5.041","","5.041","","13.7251","","90","","90","","120","","302.05","","","","1052.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Hematite-proto","- Fe1.9 H0.06 O3 -","- Fe1.9 H0.06 O3 -","- Fe11.4 H0.36 O18 -","6","0.166667","","Gualtieri, A.; Venturelli, P.","In situ study of the goethite-hematite phase transformation by real time synchrotron powder diffraction Sample at T = 779 C","American Mineralogist","1999","84","","895","904","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:13:12","" "9002502","29.124","","29.124","","17.2602","","90","","90","","120","","12678.8","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","Thornasite","- H36 Na12 O94 Si32 Th3 -","- H36 Na12 O94 Si32 Th3 -","- H216 Na72 O564 Si192 Th18 -","6","0.166667","","Li, Y.; Krivovichev, S. V.; Burns, P. C.","The crystal structure of thornasite: A novel interrupted silicate framework","American Mineralogist","2000","85","","1521","1525","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36","" "9002658","8.259","","8.259","","204.3","","90","","90","","120","","12068.5","","","","","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","Turtmannite","- As6.72 Mg26.64 Mn119 O291.6 Si16.56 V14.28 -","- As6.72 Mg26.64 Mn117 O291.6 Si16.56 V14.28 -","- As13.44 Mg53.28 Mn234 O583.2 Si33.12 V28.56 -","2","0.0555556","","Brugger, J.; Armbruster, T.; Meisser, N.; Hejny, C.; Grobety, B.","Description and crystal structure of turtmannite, a new mineral with a 68 Angstrom period related to mcgovernite Note: z-coordinate of Mn12 has been modified","American Mineralogist","2001","86","","1494","1505","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002810","4.4818","","4.4818","","13.915","","90","","90","","120","","242.058","","","","","","","","23100000","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.","Structural refinements of magnesite at very high pressure Sample: P = 23.1 GPa","American Mineralogist","2002","87","","1261","1265","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30","" "9002811","4.456","","4.456","","13.7092","","90","","90","","120","","235.74","","","","","","","","29900000","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.","Structural refinements of magnesite at very high pressure Sample: P = 29.9 GPa","American Mineralogist","2002","87","","1261","1265","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30","" "9002812","4.4044","","4.4044","","13.3797","","90","","90","","120","","224.776","","","","","","","","41300000","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.","Structural refinements of magnesite at very high pressure Sample: P = 41.3 GPa","American Mineralogist","2002","87","","1261","1265","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30","" "9002813","4.3895","","4.3895","","13.2938","","90","","90","","120","","221.825","","","","","","","","45600000","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.","Structural refinements of magnesite at very high pressure Sample: P = 45.6 GPa","American Mineralogist","2002","87","","1261","1265","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30","" "9002814","4.3675","","4.3675","","13.1387","","90","","90","","120","","217.045","","","","","","","","51800000","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.","Structural refinements of magnesite at very high pressure Sample: P = 51.8 GPa","American Mineralogist","2002","87","","1261","1265","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30","" "9002815","4.353","","4.353","","13.0325","","90","","90","","120","","213.863","","","","","","","","56600000","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.","Structural refinements of magnesite at very high pressure Sample: P = 56.6 GPa","American Mineralogist","2002","87","","1261","1265","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30","" "9002816","4.3401","","4.3401","","12.9538","","90","","90","","120","","211.314","","","","","","","","60200000","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.","Structural refinements of magnesite at very high pressure Sample: P = 60.2 GPa","American Mineralogist","2002","87","","1261","1265","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30","" "9002817","4.3138","","4.3138","","12.7762","","90","","90","","120","","205.898","","","","","","","","70700000","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.","Structural refinements of magnesite at very high pressure Sample: P = 70.7 GPa","American Mineralogist","2002","87","","1261","1265","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30","" "9002818","4.3102","","4.3102","","12.7451","","90","","90","","120","","205.054","","","","","","","","71200000","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.","Structural refinements of magnesite at very high pressure Sample: P = 71.2 GPa","American Mineralogist","2002","87","","1261","1265","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30","" "9002819","4.2981","","4.2981","","12.669","","90","","90","","120","","202.687","","","","","","","","75700000","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.","Structural refinements of magnesite at very high pressure Sample: P = 75.7 GPa","American Mineralogist","2002","87","","1261","1265","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30","" "9002820","4.2783","","4.2783","","12.5461","","90","","90","","120","","198.876","","","","","","","","82600000","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.","Structural refinements of magnesite at very high pressure Sample: P = 82.6 GPa","American Mineralogist","2002","87","","1261","1265","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30","" "9005375","8.3797","","8.3797","","68.123","","90","","90","","120","","4142.68","","","","","","","","","","","","slag dumps at Val Varenna, Italy","6","R -3 c :H","-R 3 2""c","167","","","","- Ca Cl2 H36 O29 S2 Zn8 -","- Ca Cl2 H36 O29 S2 Zn8 -","- Ca6 Cl12 H216 O174 S12 Zn48 -","6","0.166667","","Burns, P. C.; Roberts, A. C.; Nikischer, A. J.","The crystal structure of Ca[Zn8(SO4)2(OH)12Cl2](H2O)9, a new phase from slag dumps at Val Varenna, Italy","European Journal of Mineralogy","1998","10","","923","930","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:52:11","" "9006872","5.4882","","5.4882","","13.442","","90","","90","","120","","350.634","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","Loparite","- La0.4 Na0.4 O3 Sr0.2 Ti -","- La0.4 Na0.4 O3 Sr0.2 Ti -","- La2.4 Na2.4 O18 Sr1.2 Ti6 -","6","0.166667","","Mitchell, R. H.; Chakhmouradian, A. R.; Woodward, P. M.","Crystal chemistry of perovskite-type compounds in the tausonite-loparite series, (Sr1-2xNaxLax)TiO3 Sample: x = 0.40","Physics and Chemistry of Minerals","2000","27","","583","589","10.1007/s002690000103","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006873","5.4855","","5.4855","","13.44","","90","","90","","120","","350.237","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","Loparite","- La0.45 Na0.45 O3 Sr0.1 Ti -","- La0.45 Na0.45 O3 Sr0.1 Ti -","- La2.7 Na2.7 O18 Sr0.6 Ti6 -","6","0.166667","","Mitchell, R. H.; Chakhmouradian, A. R.; Woodward, P. M.","Crystal chemistry of perovskite-type compounds in the tausonite-loparite series, (Sr1-2xNaxLax)TiO3 Sample: x = 0.45","Physics and Chemistry of Minerals","2000","27","","583","589","10.1007/s002690000103","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006874","5.482","","5.482","","13.4104","","90","","90","","120","","349.02","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","Loparite","- La0.5 Na0.5 O3 Ti -","- La0.5 Na0.5 O3 Ti -","- La3 Na3 O18 Ti6 -","6","0.166667","","Mitchell, R. H.; Chakhmouradian, A. R.; Woodward, P. M.","Crystal chemistry of perovskite-type compounds in the tausonite-loparite series, (Sr1-2xNaxLax)TiO3 Sample: x = 0.50","Physics and Chemistry of Minerals","2000","27","","583","589","10.1007/s002690000103","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006987","5.12049","","5.12049","","14.0057","","90","","90","","120","","318.023","","","","1091.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.166667","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 818 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006988","5.12187","","5.12187","","14.0077","","90","","90","","120","","318.24","","","","1117.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.166667","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 844 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006989","5.1271","","5.1271","","14.0198","","90","","90","","120","","319.166","","","","1194.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.166667","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 921 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006990","5.13219","","5.13219","","14.0326","","90","","90","","120","","320.092","","","","1272.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.166667","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 999 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007007","5.13336","","5.13336","","14.0327","","90","","90","","120","","320.24","","","","1191.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.166667","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 918 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007008","5.1353","","5.1353","","14.0372","","90","","90","","120","","320.585","","","","1218.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.166667","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 945 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007009","5.13927","","5.13927","","14.0457","","90","","90","","120","","321.275","","","","1267.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.166667","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 994 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007286","5.0492","","5.0492","","17.343","","90","","90","","120","","382.913","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Prencipe, M.; Pascale, F.; Zicovich-Wilson C M; Saunders, V. R.; Orlando, R.; Dovesi, R.","The vibrational spectrum of calcite (CaCO3): an ab initio quantum-mechanical calculation Note: Theoretically derived structure","Physics and Chemistry of Minerals","2004","31","","559","564","10.1007/s00269-004-0418-7","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007488","9.821","","9.821","","38.38","","90","","90","","120","","3205.88","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","Barysilite","- Mn O21 Pb8 Si6 -","- Mn O21 Pb8 Si6 -","- Mn6 O126 Pb48 Si36 -","6","0.166667","","Lajzerowicz, J.","Etude par diffraction des rayons X et absorption infra-rouge de la barysilite, MnPb8.3Si2O7, et de composes isomorphes","Acta Crystallographica","1965","20","","357","363","10.1107/S0365110X66000847","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007496","4.7602","","4.7602","","12.9933","","90","","90","","120","","254.977","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Lewis, J.; Schwarzenbach, D.; Flack, H. D.","Electric field gradients and charge density in corundum alpha-Al2O3","Acta Crystallographica, Section A","1982","38","","733","739","10.1107/S0567739482001478","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007498","4.757","","4.757","","12.9877","","90","","90","","120","","254.524","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Kirfel, A.; Eichhorn, K.","Accurate structure analysis with synchrotron radiation. The electron density in Al2O3 and Cu2O","Acta Crystallographica, Section A","1990","46","4","271","284","10.1107/S0108767389012596","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007554","5.07","","5.07","","16.82","","90","","90","","120","","374.432","","","","293.15","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Nitratine","- N Na O3 -","- N Na O3 -","- N6 Na6 O18 -","6","0.166667","","Paul, G. L.; Pryor, A. W.","The study of sodium nitrate by neutron diffraction Sample: T = 20 C","Acta Crystallographica, Section B","1972","28","","2700","2702","10.1107/S0567740872006806","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007555","5.074","","5.074","","16.97","","90","","90","","120","","378.367","","","","373.15","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Nitratine","- N Na O3 -","- N Na O3 -","- N6 Na6 O18 -","6","0.166667","","Paul, G. L.; Pryor, A. W.","The study of sodium nitrate by neutron diffraction Sample: T = 100 C","Acta Crystallographica, Section B","1972","28","","2700","2702","10.1107/S0567740872006806","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007556","5.077","","5.077","","17.13","","90","","90","","120","","382.386","","","","453.15","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Nitratine","- N Na O3 -","- N Na O3 -","- N6 Na6 O18 -","6","0.166667","","Paul, G. L.; Pryor, A. W.","The study of sodium nitrate by neutron diffraction Sample: T = 180 C","Acta Crystallographica, Section B","1972","28","","2700","2702","10.1107/S0567740872006806","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007557","5.079","","5.079","","17.23","","90","","90","","120","","384.922","","","","503.15","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Nitratine","- N Na O3 -","- N Na O3 -","- N6 Na6 O18 -","6","0.166667","","Paul, G. L.; Pryor, A. W.","The study of sodium nitrate by neutron diffraction Sample: T = 230 C","Acta Crystallographica, Section B","1972","28","","2700","2702","10.1107/S0567740872006806","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007558","5.081","","5.081","","17.27","","90","","90","","120","","386.119","","","","523.15","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Nitratine","- N Na O3 -","- N Na O3 -","- N6 Na6 O18 -","6","0.166667","","Paul, G. L.; Pryor, A. W.","The study of sodium nitrate by neutron diffraction Sample: T = 250 C","Acta Crystallographica, Section B","1972","28","","2700","2702","10.1107/S0567740872006806","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007559","5.082","","5.082","","17.31","","90","","90","","120","","387.166","","","","541.15","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Nitratine","- N Na O3 -","- N Na O3 -","- N6 Na6 O18 -","6","0.166667","","Paul, G. L.; Pryor, A. W.","The study of sodium nitrate by neutron diffraction Sample: T = 268 C","Acta Crystallographica, Section B","1972","28","","2700","2702","10.1107/S0567740872006806","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007561","5.07","","5.07","","16.82","","90","","90","","120","","374.432","","","","293.15","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Nitratine","- N Na O3 -","- N Na O3 -","- N6 Na6 O18 -","6","0.166667","","Paul, G. L.; Pryor, A. W.","The study of sodium nitrate by neutron diffraction Sample: T = 20 C, refined incorporating curvilinear motion of O atom","Acta Crystallographica, Section B","1972","28","","2700","2702","10.1107/S0567740872006806","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007562","5.074","","5.074","","16.97","","90","","90","","120","","378.367","","","","373.15","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Nitratine","- N Na O3 -","- N Na O3 -","- N6 Na6 O18 -","6","0.166667","","Paul, G. L.; Pryor, A. W.","The study of sodium nitrate by neutron diffraction Sample: T = 100 C, refined incorporating curvilinear motion of O atom","Acta Crystallographica, Section B","1972","28","","2700","2702","10.1107/S0567740872006806","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007563","5.077","","5.077","","17.13","","90","","90","","120","","382.386","","","","453.15","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Nitratine","- N Na O3 -","- N Na O3 -","- N6 Na6 O18 -","6","0.166667","","Paul, G. L.; Pryor, A. W.","The study of sodium nitrate by neutron diffraction Sample: T = 180 C, refined incorporating curvilinear motion of O atom","Acta Crystallographica, Section B","1972","28","","2700","2702","10.1107/S0567740872006806","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007564","5.079","","5.079","","17.23","","90","","90","","120","","384.922","","","","503.15","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Nitratine","- N Na O3 -","- N Na O3 -","- N6 Na6 O18 -","6","0.166667","","Paul, G. L.; Pryor, A. W.","The study of sodium nitrate by neutron diffraction Sample: T = 230 C, refined incorporating curvilinear motion of O atom","Acta Crystallographica, Section B","1972","28","","2700","2702","10.1107/S0567740872006806","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007565","5.081","","5.081","","17.27","","90","","90","","120","","386.119","","","","523.15","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Nitratine","- N Na O3 -","- N Na O3 -","- N6 Na6 O18 -","6","0.166667","","Paul, G. L.; Pryor, A. W.","The study of sodium nitrate by neutron diffraction Sample: T = 250 C, refined incorporating curvilinear motion of O atom","Acta Crystallographica, Section B","1972","28","","2700","2702","10.1107/S0567740872006806","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007566","5.082","","5.082","","17.31","","90","","90","","120","","387.166","","","","541.15","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Nitratine","- N Na O3 -","- N Na O3 -","- N6 Na6 O18 -","6","0.166667","","Paul, G. L.; Pryor, A. W.","The study of sodium nitrate by neutron diffraction Sample: T = 268 C, refined incorporating curvilinear motion of O atom","Acta Crystallographica, Section B","1972","28","","2700","2702","10.1107/S0567740872006806","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007607","8.6377","","8.6377","","11.849","","90","","90","","120","","765.612","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Takedaite","- B2 Ca3 O6 -","- B2 Ca3 O6 -","- B12 Ca18 O36 -","6","0.166667","","Vegas, A.; Cano, F. H.; Garcia-Blanco S","The crystal structure of calcium orthoborate: a redetermination","Acta Crystallographica, Section B","1975","31","","1416","1419","10.1107/S0567740875005316","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007634","4.754","","4.754","","12.99","","90","","90","","120","","254.248","","","","300","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Ishizawa, N.; Miyata, T.; Minato, I.; Marumo, F.; Iwai, S.","A structural investigation of alpha-Al2O3 at 2170 K T = 300 K","Acta Crystallographica, Section B","1980","36","","228","230","10.1107/S0567740880002981","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007635","4.844","","4.844","","13.27","","90","","90","","120","","269.656","","","","2170","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Ishizawa, N.; Miyata, T.; Minato, I.; Marumo, F.; Iwai, S.","A structural investigation of alpha-Al2O3 at 2170 K T = 2170 K","Acta Crystallographica, Section B","1980","36","","228","230","10.1107/S0567740880002981","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007689","4.988","","4.988","","17.068","","90","","90","","120","","367.761","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.","Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3","Acta Crystallographica, Section B","1995","51","6","929","939","10.1107/S0108768195006434","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007690","4.772","","4.772","","15.637","","90","","90","","120","","308.379","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Rhodochrosite","- C Mn O3 -","- C Mn O3 -","- C6 Mn6 O18 -","6","0.166667","","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.","Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3 Sample: Synchrotron data","Acta Crystallographica, Section B","1995","51","6","929","939","10.1107/S0108768195006434","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007692","4.632","","4.632","","15.002","","90","","90","","120","","278.751","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.","Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3","Acta Crystallographica, Section B","1995","51","6","929","939","10.1107/S0108768195006434","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007712","4.6117","","4.6117","","14.735","","90","","90","","120","","271.396","","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Gaspeite","- C Ni O3 -","- C Ni O3 -","- C6 Ni6 O18 -","6","0.166667","","Pertlik, F.","Structures of hydrothermally synthesized cobalt(II) carbonate and nickel(II) carbonate Locality: synthetic","Acta Crystallographica, Section C","1986","42","","4","5","10.1107/S0108270186097524","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007713","4.6618","","4.6618","","14.963","","90","","90","","120","","281.616","","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Spherocobaltite","- C Co O3 -","- C Co O3 -","- C6 Co6 O18 -","6","0.166667","","Pertlik, F.","Structures of hydrothermally synthesized cobalt(II) carbonate and nickel(II) carbonate Locality: synthetic","Acta Crystallographica, Section C","1986","42","","4","5","10.1107/S0108270186097524","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007753","6.768","","6.768","","18.236","","90","","90","","120","","723.404","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- S3 Tm2 -","- S3 Tm2 -","- S18 Tm12 -","6","0.166667","","Range, K. J.; Drexler, H.; Gietl, A.; Klement, U.; Lange, K. G.","Tm2S3-V, a corundum-type modification of thulium sesquisulfide","Acta Crystallographica, Section C","1990","46","","487","488","10.1107/S0108270189012035","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9008081","4.7589","","4.7589","","12.991","","90","","90","","120","","254.792","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Newnham, R. E.; de Haan, Y. M.","Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures","Zeitschrift fur Kristallographie","1962","117","","235","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05","" "9008082","5.149","","5.149","","13.642","","90","","90","","120","","313.224","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Tistarite","- O3 Ti2 -","- O3 Ti2 -","- O18 Ti12 -","6","0.166667","","Newnham, R. E.; de Haan, Y. M.","Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures","Zeitschrift fur Kristallographie","1962","117","","235","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05","" "9008083","4.952","","4.952","","14.002","","90","","90","","120","","297.36","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Karelianite","- O3 V2 -","- O3 V2 -","- O18 V12 -","6","0.166667","","Newnham, R. E.; de Haan, Y. M.","Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures","Zeitschrift fur Kristallographie","1962","117","","235","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05","" "9008084","4.9607","","4.9607","","13.599","","90","","90","","120","","289.817","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Newnham, R. E.; de Haan, Y. M.","Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures","Zeitschrift fur Kristallographie","1962","117","","235","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05","" "9008181","8.71","","8.71","","23.89","","90","","90","","120","","1569.58","","","","","","","","","","","","Synthetic","4","R -3 c :H","-R 3 2""c","167","","","Kosnarite","- K O12 P3 Zr2 -","- K O12 P3 Zr2 -","- K6 O72 P18 Zr12 -","6","0.166667","","Sljukic, M.; Matkovic, B.; Prodic, B.; Anderson, D.","The crystal structure of KZr2(PO4)3","Zeitschrift fur Kristallographie","1969","130","","148","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05","" "9009270","8.631","","8.631","","11.855","","90","","90","","120","","764.812","","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Takedaite","- B2 Ca3 O6 -","- B2 Ca3 O6 -","- B12 Ca18 O36 -","6","0.166667","","Schuckmann, W.","Zur kristallstruktur des calcium-borates Ca3(BO3)2","Neues Jahrbuch fur Mineralogie, Monatshefte","1969","1969","","142","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30","" "9009659","5.0718","","5.0718","","16.8336","","90","","90","","120","","375.001","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Nitratine","- N Na O3 -","- N Na O3 -","- N6 Na6 O18 -","6","0.166667","","Ahtee, M.; Nurmela, M.; Suortti, P.; Jarvinen, M.","Correction for preferred orientation in Rietveld refinement Sample: II, refined with correction for texture Note: Synthetic sample","Journal of Applied Crystallography","1989","22","","261","268","10.1107/S0021889889000725","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009667","4.991","","4.991","","17.068","","90","","90","","120","","368.204","","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Sitepu, H.; O'Connor B H; Li, D.","Comparative evaluation of the March and generalized spherical harmonic preferred orientation models using X-ray diffraction data for molybdite and calcite powders Note: March model","Journal of Applied Crystallography","2005","38","","158","167","10.1107/S0021889804031231","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009668","4.992","","4.992","","17.069","","90","","90","","120","","368.373","","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Sitepu, H.; O'Connor B H; Li, D.","Comparative evaluation of the March and generalized spherical harmonic preferred orientation models using X-ray diffraction data for molybdite and calcite powders Note: GSH model","Journal of Applied Crystallography","2005","38","","158","167","10.1107/S0021889804031231","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009671","4.7657","","4.7657","","13.01","","90","","90","","120","","255.895","","","","","","","","0","","","","","2","R -3 c :H","-R 3 2""c","167","","","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","d'Amour H; Schiferl, D.; Denner, W.; Schulz, H.; Holzapfel, W. B.","High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer P = 0 kbar","Journal of Applied Physics","1978","49","","4411","4416","10.1063/1.325494","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009672","4.7517","","4.7517","","12.965","","90","","90","","120","","253.514","","","","","","","","2800000","","","","","2","R -3 c :H","-R 3 2""c","167","","","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","d'Amour H; Schiferl, D.; Denner, W.; Schulz, H.; Holzapfel, W. B.","High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer P = 28 kbar","Journal of Applied Physics","1978","49","","4411","4416","10.1063/1.325494","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009673","4.7418","","4.7418","","12.921","","90","","90","","120","","251.601","","","","","","","","4200000","","","","","2","R -3 c :H","-R 3 2""c","167","","","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","d'Amour H; Schiferl, D.; Denner, W.; Schulz, H.; Holzapfel, W. B.","High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer P = 42 kbar","Journal of Applied Physics","1978","49","","4411","4416","10.1063/1.325494","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009674","4.7351","","4.7351","","12.901","","90","","90","","120","","250.503","","","","","","","","6000000","","","","","2","R -3 c :H","-R 3 2""c","167","","","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","d'Amour H; Schiferl, D.; Denner, W.; Schulz, H.; Holzapfel, W. B.","High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer P = 60 kbar","Journal of Applied Physics","1978","49","","4411","4416","10.1063/1.325494","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009675","4.7242","","4.7242","","12.881","","90","","90","","120","","248.964","","","","","","","","7400000","","","","","2","R -3 c :H","-R 3 2""c","167","","","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","d'Amour H; Schiferl, D.; Denner, W.; Schulz, H.; Holzapfel, W. B.","High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer P = 74 kbar","Journal of Applied Physics","1978","49","","4411","4416","10.1063/1.325494","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009676","4.7212","","4.7212","","12.872","","90","","90","","120","","248.474","","","","","","","","8100000","","","","","2","R -3 c :H","-R 3 2""c","167","","","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","d'Amour H; Schiferl, D.; Denner, W.; Schulz, H.; Holzapfel, W. B.","High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer P = 81 kbar","Journal of Applied Physics","1978","49","","4411","4416","10.1063/1.325494","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009677","4.7154","","4.7154","","12.851","","90","","90","","120","","247.46","","","","","","","","9000000","","","","","2","R -3 c :H","-R 3 2""c","167","","","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","d'Amour H; Schiferl, D.; Denner, W.; Schulz, H.; Holzapfel, W. B.","High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer P = 90 kbar","Journal of Applied Physics","1978","49","","4411","4416","10.1063/1.325494","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009679","4.7537","","4.7537","","12.9725","","90","","90","","120","","253.874","","","","","","","","1100000","","","","","2","R -3 c :H","-R 3 2""c","167","","","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Finger, L. W.; Hazen, R. M.","Crystal structure and compression of ruby to 46 kbar P = 11 kbar","Journal of Applied Physics","1978","49","","5823","5826","10.1063/1.324598","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009680","4.7474","","4.7474","","12.9542","","90","","90","","120","","252.844","","","","","","","","2100000","","","","","2","R -3 c :H","-R 3 2""c","167","","","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Finger, L. W.; Hazen, R. M.","Crystal structure and compression of ruby to 46 kbar P = 21 kbar","Journal of Applied Physics","1978","49","","5823","5826","10.1063/1.324598","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009681","4.7437","","4.7437","","12.943","","90","","90","","120","","252.232","","","","","","","","2800000","","","","","2","R -3 c :H","-R 3 2""c","167","","","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Finger, L. W.; Hazen, R. M.","Crystal structure and compression of ruby to 46 kbar P = 28 kbar","Journal of Applied Physics","1978","49","","5823","5826","10.1063/1.324598","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009682","4.7406","","4.7406","","12.9326","","90","","90","","120","","251.7","","","","","","","","3500000","","","","","2","R -3 c :H","-R 3 2""c","167","","","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Finger, L. W.; Hazen, R. M.","Crystal structure and compression of ruby to 46 kbar P = 35 kbar","Journal of Applied Physics","1978","49","","5823","5826","10.1063/1.324598","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009683","4.7352","","4.7352","","12.9176","","90","","90","","120","","250.836","","","","","","","","4600000","","","","","2","R -3 c :H","-R 3 2""c","167","","","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Finger, L. W.; Hazen, R. M.","Crystal structure and compression of ruby to 46 kbar P = 46 kbar","Journal of Applied Physics","1978","49","","5823","5826","10.1063/1.324598","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009684","4.718","","4.718","","12.818","","90","","90","","120","","247.097","","","","","","","","8000000","","","","","2","R -3 c :H","-R 3 2""c","167","","","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Finger, L. W.; Hazen, R. M.","Crystal structure and compression of ruby to 46 kbar P = 80 kbar","Journal of Applied Physics","1978","49","","5823","5826","10.1063/1.324598","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32","" "9009842","11.35","","11.35","","28.321","","90","","90","","120","","3159.59","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","Orschallite","- Ca3 H24 O22 S3 -","- Ca3 O22 S3 -","- Ca18 O132 S18 -","6","0.166667","","Weidenthaler, C.; Tillmanns, E.; Hentschel, G.","Orschallite, Ca3(SO3)2SO4*12H2O, a new calcium-sulfite-sulfate-hydrate mineral Locality: Hannebacher Ley, Hannebach, Eifel, Germany","Mineralogy and Petrology","1993","48","","167","177","10.1007/BF01163095","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27","" "9010203","4.9207","","4.9207","","16.2968","","90","","90","","120","","341.733","","","","","","","","","","synthesized at 600 C","synthesized at 600 C, 1 GPa, 3 h","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Otavite","- C Cd O3 -","- C Cd O3 -","- C6 Cd6 O18 -","6","0.166667","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = 0, synthesized at 600 C, 1 GPa, 3 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010204","4.895","","4.895","","16.1938","","90","","90","","120","","336.035","","","","","","","","","","synthesized at 600 C","synthesized at 600 C, 1 GPa, 3 h","Synthetic","4","R -3 c :H","-R 3 2""c","167","","","Otavite","- C Cd0.9 Mg0.1 O3 -","- C Cd0.9 Mg0.1 O3 -","- C6 Cd5.4 Mg0.6 O18 -","6","0.166667","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .1, synthesized at 600 C, 1 GPa, 3 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010205","4.867","","4.867","","16.0787","","90","","90","","120","","329.841","","","","","","","","","","synthesized at 600 C","synthesized at 600 C, 1 GPa, 3 h","Synthetic","4","R -3 c :H","-R 3 2""c","167","","","Otavite","- C Cd0.8 Mg0.2 O3 -","- C Cd0.8 Mg0.2 O3 -","- C6 Cd4.8 Mg1.2 O18 -","6","0.166667","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .2, synthesized at 600 C, 1 GPa, 3 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010206","4.8398","","4.8398","","15.9621","","90","","90","","120","","323.799","","","","","","","","","","synthesized at 600 C","synthesized at 600 C, 1 GPa, 3 h","Synthetic","4","R -3 c :H","-R 3 2""c","167","","","Otavite","- C Cd0.7 Mg0.3 O3 -","- C Cd0.7 Mg0.3 O3 -","- C6 Cd4.2 Mg1.8 O18 -","6","0.166667","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .3, synthesized at 600 C, 1 GPa, 3 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010210","4.6338","","4.6338","","15.0192","","90","","90","","120","","279.288","","","","","","","","","","synthesized at 600 C","synthesized at 600 C, 1 GPa, 3 h","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = 1, synthesized at 600 C, 1 GPa, 3 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010217","4.782","","4.782","","15.7028","","90","","90","","120","","310.976","","","","","","","","","","synthesized at 700 C","synthesized at 700 C, 1 GPa, 24 h","Synthetic","4","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Cd0.5 Mg0.5 O3 -","- C Cd0.5 Mg0.5 O3 -","- C6 Cd3 Mg3 O18 -","6","0.166667","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .5, synthesized at 700 C, 1 GPa, 24 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010218","4.9204","","4.9204","","16.2948","","90","","90","","120","","341.649","","","","","","","","","","synthesized at 800 C","synthesized at 800 C, 1 GPa, 1 h","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Otavite","- C Cd O3 -","- C Cd O3 -","- C6 Cd6 O18 -","6","0.166667","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = 0, synthesized at 800 C, 1 GPa, 1 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010219","4.8934","","4.8934","","16.1892","","90","","90","","120","","335.72","","","","","","","","","","synthesized at 800 C","synthesized at 800 C, 1 GPa, 1 h","Synthetic","4","R -3 c :H","-R 3 2""c","167","","","Otavite","- C Cd0.9 Mg0.1 O3 -","- C Cd0.9 Mg0.1 O3 -","- C6 Cd5.4 Mg0.6 O18 -","6","0.166667","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .1, synthesized at 800 C, 1 GPa, 1 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010220","4.8638","","4.8638","","16.0679","","90","","90","","120","","329.186","","","","","","","","","","synthesized at 800 C","synthesized at 800 C, 1 GPa, 1 h","Synthetic","4","R -3 c :H","-R 3 2""c","167","","","Otavite","- C Cd0.8 Mg0.2 O3 -","- C Cd0.8 Mg0.2 O3 -","- C6 Cd4.8 Mg1.2 O18 -","6","0.166667","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .2, synthesized at 800 C, 1 GPa, 1 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010221","4.8341","","4.8341","","15.9434","","90","","90","","120","","322.658","","","","","","","","","","synthesized at 800 C","synthesized at 800 C, 1 GPa, 1 h","Synthetic","4","R -3 c :H","-R 3 2""c","167","","","Otavite","- C Cd0.7 Mg0.3 O3 -","- C Cd0.7 Mg0.3 O3 -","- C6 Cd4.2 Mg1.8 O18 -","6","0.166667","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .3, synthesized at 800 C, 1 GPa, 1 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010222","4.8095","","4.8095","","15.8358","","90","","90","","120","","317.227","","","","","","","","","","synthesized at 800 C","synthesized at 800 C, 1 GPa, 1 h","Synthetic","4","R -3 c :H","-R 3 2""c","167","","","Otavite","- C Cd0.6 Mg0.4 O3 -","- C Cd0.6 Mg0.4 O3 -","- C6 Cd3.6 Mg2.4 O18 -","6","0.166667","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .4, synthesized at 800 C, 1 GPa, 1 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010223","4.7788","","4.7788","","15.6968","","90","","90","","120","","310.441","","","","","","","","","","synthesized at 800 C","synthesized at 800 C, 1 GPa, 1 h","Synthetic","4","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Cd0.5 Mg0.5 O3 -","- C Cd0.5 Mg0.5 O3 -","- C6 Cd3 Mg3 O18 -","6","0.166667","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .5, synthesized at 800 C, 1 GPa, 1 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010224","4.751","","4.751","","15.5745","","90","","90","","120","","304.449","","","","","","","","","","synthesized at 800 C","synthesized at 800 C, 1 GPa, 1 h","Synthetic","4","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Cd0.4 Mg0.6 O3 -","- C Cd0.4 Mg0.6 O3 -","- C6 Cd2.4 Mg3.6 O18 -","6","0.166667","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .6, synthesized at 800 C, 1 GPa, 1 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010225","4.6638","","4.6638","","15.172","","90","","90","","120","","285.794","","","","","","","","","","synthesized at 800 C","synthesized at 800 C, 1 GPa, 1 h","Synthetic","4","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Cd0.1 Mg0.9 O3 -","- C Cd0.1 Mg0.9 O3 -","- C6 Cd0.6 Mg5.4 O18 -","6","0.166667","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .9, synthesized at 800 C, 1 GPa, 1 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010226","4.6334","","4.6334","","15.0178","","90","","90","","120","","279.214","","","","","","","","","","synthesized at 800 C","synthesized at 800 C, 1 GPa, 1 h","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = 1, synthesized at 800 C, 1 GPa, 1 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010434","4.9696","","4.9696","","13.597","","90","","90","","120","","290.815","","","","","","","","","","","","natural diamond, Udachnaya pipe, Yukutia, Russia","6","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Al0.058 Cr1.702 Fe0.122 Mg0.042 O3 Ti0.076 -","- Al0.058 Cr1.702 Fe0.122 Mg0.042 O3 Ti0.076 -","- Al0.348 Cr10.212 Fe0.732 Mg0.252 O18 Ti0.456 -","6","0.166667","","Logvinova, A. M.; Wirth, R.; Sobolev, N. V.; Seryotkin, Y. V.; Yefimova, E. S.; Floss, C.; Taylor, L. A.","Eskolaite associated with diamond from the Udachnaya kimberlite pipe, Yakutia, Russia Locality: natural diamond, Udachnaya pipe, Yukutia, Russia","American Mineralogist","2008","93","","685","690","10.2138/am.2008.2670","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9011074","6.64","","6.64","","37.9819","","90","","90","","120","","1450.25","","","","","","","","","","","","Synthetic","4","R -3 c :H","-R 3 2""c","167","","","Perryite","- Fe0.24 Ni7.76 P0.63 Si2.37 -","- Fe0.24 Ni7.76 P0.63 Si2.37 -","- Fe2.88 Ni93.12 P7.56 Si28.44 -","12","0.333333","","Marsh, R. E.","The centrosymmetric - noncentrosymmetric ambiguity: some more examples","Acta Crystallographica, Section A","1994","50","4","450","455","10.1107/S0108767393012796","","","","","","","","","","","","","","","","","","","","","has coordinates","288653","2024-01-03","17:00:04","" "9011075","7.6152","","7.6152","","43.032","","90","","90","","120","","2161.15","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","Mertieite-II","- Pd8 Sb3 -","- Pd8 Sb3 -","- Pd96 Sb36 -","12","0.333333","","Marsh, R. E.","The centrosymmetric - noncentrosymmetric ambiguity: some more examples","Acta Crystallographica, Section A","1994","50","4","450","455","10.1107/S0108767393012796","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011083","11.827","","11.827","","11.895","","90","","90","","120","","1440.94","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","Chloraluminite","- Al Cl3 H12 O6 -","- Al Cl3 H12 O6 -","- Al6 Cl18 H72 O36 -","6","0.166667","","Buchanan, D. R.; Harris, P. M.","A neutron and X-ray diffraction investigation of aluminium chloride hexahydrate Locality: synthetic Sample: single crystal X-ray diffraction data","Acta Crystallographica, Section B","1968","24","","954","960","10.1107/S056774086800347X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011180","4.4638","","4.4638","","13.745","","90","","90","","120","","237.184","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Al B O3 -","- Al B O3 -","- Al6 B6 O18 -","6","0.166667","","Vegas, A.; Cano, F. H.; Garcia-Blanco S","Refinement of aluminium orthoborate Sample: 0-50 degree reflections Note: calcite structure type","Acta Crystallographica, Section B","1977","33","","3607","3609","10.1107/S0567740877011650","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011181","4.4638","","4.4638","","13.745","","90","","90","","120","","237.184","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Al B O3 -","- Al B O3 -","- Al6 B6 O18 -","6","0.166667","","Vegas, A.; Cano, F. H.; Garcia-Blanco S","Refinement of aluminium orthoborate Sample: 0-50 degree reflections, Al3+, O- Note: calcite structure type","Acta Crystallographica, Section B","1977","33","","3607","3609","10.1107/S0567740877011650","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011182","4.4638","","4.4638","","13.745","","90","","90","","120","","237.184","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Al B O3 -","- Al B O3 -","- Al6 B6 O18 -","6","0.166667","","Vegas, A.; Cano, F. H.; Garcia-Blanco S","Refinement of aluminium orthoborate Sample: 0-30 degree reflections Note: calcite structure type","Acta Crystallographica, Section B","1977","33","","3607","3609","10.1107/S0567740877011650","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011183","4.4638","","4.4638","","13.745","","90","","90","","120","","237.184","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Al B O3 -","- Al B O3 -","- Al6 B6 O18 -","6","0.166667","","Vegas, A.; Cano, F. H.; Garcia-Blanco S","Refinement of aluminium orthoborate Sample: 0-30 degree reflections, Al3+, O- Note: calcite structure type","Acta Crystallographica, Section B","1977","33","","3607","3609","10.1107/S0567740877011650","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011184","4.4638","","4.4638","","13.745","","90","","90","","120","","237.184","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Al B O3 -","- Al B O3 -","- Al6 B6 O18 -","6","0.166667","","Vegas, A.; Cano, F. H.; Garcia-Blanco S","Refinement of aluminium orthoborate Sample: 30-50 degree reflections Note: calcite structure type","Acta Crystallographica, Section B","1977","33","","3607","3609","10.1107/S0567740877011650","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011185","4.4638","","4.4638","","13.745","","90","","90","","120","","237.184","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Al B O3 -","- Al B O3 -","- Al6 B6 O18 -","6","0.166667","","Vegas, A.; Cano, F. H.; Garcia-Blanco S","Refinement of aluminium orthoborate Sample: 30-50 degree reflections, Al3+, O- Note: calcite structure type","Acta Crystallographica, Section B","1977","33","","3607","3609","10.1107/S0567740877011650","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011818","9.804","","9.804","","38.416","","90","","90","","120","","3197.79","","","","","","","","","","","","Garpenberg Nora mine, Dalarna, Sweden","5","R -3 c :H","-R 3 2""c","167","","","Barysilite","- Ca0.182 Mn O21 Pb7.818 Si6 -","- Ca0.182 Mn O21 Pb7.818 Si6 -","- Ca1.092 Mn6 O126 Pb46.908 Si36 -","6","0.166667","","Kolitsch, U.; Holtstam, D.","Barysilite from Garpenberg Norra, Dalarna, Sweden: occurrence and crystal structure refinement Locality: Garpenberg Nora mine, Dalarna, Sweden","Mineralogical Magazine","2002","66","","353","363","10.1180/0026461026620034","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45","" "9012055","6.2092","","6.2092","","36.619","","90","","90","","120","","1222.67","","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Natrotantite","- Na2 O11 Ta4 -","- Na2 O11 Ta4 -","- Na12 O66 Ta24 -","6","0.166667","","Ercit, T. S.; Hawthorne, F. C.; Cerny, P.","The crystal structure of synthetic natrotantite","Bulletin de Mineralogie","1985","108","","541","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45","" "9012367","8.69","","8.69","","82.27","","90","","90","","120","","5380.36","","","","","","","","","","","","Synthetic","5","R -3 c :H","-R 3 2""c","167","","","Francoanellite","- Al5 H30 K3 O44 P8 -","- Al5 H30 K3 O44 P8 -","- Al30 H180 K18 O264 P48 -","6","0.166667","","Dick, S.; Zeiske, T.","Francoanellit K3Al5(HPO4)6(PO4)2*12H2O: struktur und synthese durch topochemische entwasserung von taranakit","Zeitschrift fur Naturforschung B","1998","53","","711","719","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47","" "9012799","9.502","","9.502","","37.116","","90","","90","","120","","2902.16","","","","","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Fe0.526 H6 In0.475 O24 P6 -","- Ba3 Fe0.5256 H6 In0.4746 O24 P6 -","- Ba18 Fe3.1536 H36 In2.8476 O144 P36 -","6","0.166667","","Tang, X.; Gentiletti, M. J.; Lachgar, A.; Morozov, V. A.; Lazoryak, B. I.","The pillared layered framework of Ba3(In1-xMx)2(HXO4)6(0<=x<=1; M=Fe,Cr; X=P, As): synthesis, crystal structure, thermal stability and Mossbauer spectroscopy","Solid State Sciences","2001","3","","143","153","10.1016/S1293-2558(00)01118-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48","" "9013146","8.7025","","8.7025","","95.05","","90","","90","","120","","6234.06","","","","","","","","","","","","Synthetic","5","R -3 c :H","-R 3 2""c","167","","","Taranakite","- Al5 H42 K3 O50 P8 -","- Al5 H42 K3 O50 P8 -","- Al30 H252 K18 O300 P48 -","6","0.166667","","Dick, S.; Gossner, U.; Weiss, A.; Robl, C.; Grossman, G.; Ohms, G.; Zeiske, T.","Taranakite - the mineral with the longest crystallographic axis","Inorganica Chimica Acta","1998","269","","47","57","10.1016/S0020-1693(97)05781-2","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48","" "9013982","15.955","","15.955","","27.81","","90","","90","","120","","6130.91","","","","100","","","","","","","","Sakavalana granitic pegmatite, Antsirabe, Fianarantsoa Province, Madagascar","8","R -3 c :H","-R 3 2""c","167","","","Pezzottaite","- Al2 Be2 Cs0.75 H6 Li Na0.226 O18.285 Si6 -","- Al2 Be2 Cs0.749667 H0.57 Li Na0.225667 O18.285 Si6 -","- Al36 Be36 Cs13.494 H10.26 Li18 Na4.062 O329.13 Si108 -","18","0.5","","Yakubivich, O. V.; Pekov, I. V.; Steele, I. M.; Massa, W.; Chukanov, N. V.","Alkali metals in beryl and their role in the formation of derivative structural motifs: Comparative crystal chemistry of vorobyevite and pezzottaite Locality: Sakavalana granitic pegmatite, Antsirabe, Fianarantsoa Province, Madagascar Note: T = 100 K","Crystallography Reports","2009","54","","399","412","10.1134/S1063774509030067","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46","" "9014036","4.957","","4.957","","13.5923","","90","","90","","120","","289.242","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr12 O18 -","- Cr12 O18 -","","","","Sawada, H.","Residual electron density study of chromium sesquioxide by crystal structure and scattering factor refinement Note: harmonic scattering factor refinement","Materials Research Bulletin","1994","29","","239","245","10.1016/0025-5408(94)90019-1","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014067","4.629","","4.629","","12.88","","90","","90","","120","","239.013","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 63.9 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00","" "9014186","4.485","","4.485","","13.19","","90","","90","","120","","229.774","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P18_HS, P = 45.13 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014203","4.785","","4.785","","13.162","","90","","90","","120","","260.986","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 29.6 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00","" "9014204","4.358","","4.358","","12.62","","90","","90","","120","","207.57","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P24, P = 52.6 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014216","4.9759","","4.9759","","17.4316","","90","","90","","120","","373.776","","","","","","","","","","","","Cuenca, Spain","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 662 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014237","4.579","","4.579","","14.28","","90","","90","","120","","259.299","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P8, P = 19.19 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014261","4.737","","4.737","","13.071","","90","","90","","120","","254.007","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 39.7 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00","" "9014269","4.9233","","4.9233","","13.4953","","90","","90","","120","","283.286","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr12 O18 -","- Cr12 O18 -","","","","Finger, L. W.; Hazen, R. M.","Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 40.6 kbar","Journal of Applied Physics","1980","51","","5362","5367","10.1063/1.327451","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014344","4.9761","","4.9761","","17.4163","","90","","90","","120","","373.478","","","","","","","","","","","","Cuenca, Spain","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 644 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014367","4.3462","","4.3462","","12.519","","90","","90","","120","","204.795","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P27-2, P = 55.0 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014382","12.0966","","12.0966","","13.9555","","90","","90","","120","","1768.49","","","","","","","","","","","","Salton Sea, California, USA","4","R -3 c :H","-R 3 2""c","167","","","Saltonseaite","- Cl6 K3 Mn Na -","- Cl36 K18 Mn6 Na6 -","- Cl36 K18 Mn6 Na6 -","","","","Kampf, A. R.; Mills, S. J.; Nestola, F.; Ciriotti, M. E.; Kasatkin, A. V.","Saltonseaite, K3NaMn2+Cl6, the Mn analogue of rinneite from the Salton Sea, California","American Mineralogist","2012","98","","231","235","10.2138/am.2013.4214","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014415","4.9748","","4.9748","","17.27","","90","","90","","120","","370.147","","","","","","","","","","","","Cuenca, Spain","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 420 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014432","4.8645","","4.8645","","13.355","","90","","90","","120","","273.685","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 14.0 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00","" "9014524","4.9766","","4.9766","","17.3757","","90","","90","","120","","372.682","","","","","","","","","","","","Cuenca, Spain","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 599 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014594","4.756","","4.756","","13.109","","90","","90","","120","","256.793","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 35.4 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00","" "9014611","4.9775","","4.9775","","17.3105","","90","","90","","120","","371.418","","","","","","","","","","","","Cuenca, Spain","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 500 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014728","4.637","","4.637","","14.98","","90","","90","","120","","278.944","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P4, P = 7.31 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014744","4.9773","","4.9773","","17.3231","","90","","90","","120","","371.658","","","","","","","","","","","","Cuenca, Spain","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 519 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014761","4.587","","4.587","","14.258","","90","","90","","120","","259.805","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P6, P = 18.37 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014772","4.974","","4.974","","17.251","","90","","90","","120","","369.621","","","","","","","","","","","","Cuenca, Spain","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 379 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014810","4.8949","","4.8949","","13.432","","90","","90","","120","","278.714","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 8.1 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00","" "9014824","4.69","","4.69","","12.972","","90","","90","","120","","247.106","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 50.2 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00","" "9014850","4.9371","","4.9371","","13.53","","90","","90","","120","","285.609","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr12 O18 -","- Cr12 O18 -","","","","Finger, L. W.; Hazen, R. M.","Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 18.6 kbar","Journal of Applied Physics","1980","51","","5362","5367","10.1063/1.327451","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014877","4.974","","4.974","","17.243","","90","","90","","120","","369.449","","","","","","","","","","","","Cuenca, Spain","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 359 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014880","5.0143","","5.0143","","13.6733","","90","","90","","120","","297.731","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Hematite","- Fe2 O3 -","- Fe12 O18 -","- Fe12 O18 -","","","","Finger, L. W.; Hazen, R. M.","Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 31.4 kbar","Journal of Applied Physics","1980","51","","5362","5367","10.1063/1.327451","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014891","4.978","","4.978","","17.211","","90","","90","","120","","369.357","","","","","","","","","","","","Cuenca, Spain","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 318 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014893","4.9018","","4.9018","","13.969","","90","","90","","120","","290.675","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Karelianite","- O3 V2 -","- O18 V12 -","- O18 V12 -","","","","Finger, L. W.; Hazen, R. M.","Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 47 kbar","Journal of Applied Physics","1980","51","","5362","5367","10.1063/1.327451","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014898","4.9199","","4.9199","","13.9787","","90","","90","","120","","293.029","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Karelianite","- O3 V2 -","- O18 V12 -","- O18 V12 -","","","","Finger, L. W.; Hazen, R. M.","Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 28.3 kbar","Journal of Applied Physics","1980","51","","5362","5367","10.1063/1.327451","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014944","4.514","","4.514","","13.34","","90","","90","","120","","235.402","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P14, P = 41.2 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015000","4.957","","4.957","","13.5923","","90","","90","","120","","289.242","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr12 O18 -","- Cr12 O18 -","","","","Sawada, H.","Residual electron density study of chromium sesquioxide by crystal structure and scattering factor refinement Note: anharmonic/atomic scattering factor refinement","Materials Research Bulletin","1994","29","","239","245","10.1016/0025-5408(94)90019-1","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015056","4.355","","4.355","","12.54","","90","","90","","120","","205.97","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P25, P = 54.0 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015065","5.0249","","5.0249","","13.7163","","90","","90","","120","","299.932","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Hematite","- Fe2 O3 -","- Fe12 O18 -","- Fe12 O18 -","","","","Finger, L. W.; Hazen, R. M.","Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 15.4 kbar","Journal of Applied Physics","1980","51","","5362","5367","10.1063/1.327451","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015066","4.9769","","4.9769","","17.3479","","90","","90","","120","","372.131","","","","","","","","","","","","Cuenca, Spain","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 556 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015073","4.9759","","4.9759","","17.4486","","90","","90","","120","","374.14","","","","","","","","","","","","Cuenca, Spain","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 681 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015075","4.548","","4.548","","13.89","","90","","90","","120","","248.813","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P9, P = 28.62 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015167","4.519","","4.519","","13.47","","90","","90","","120","","238.223","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P12, P = 38.5 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015260","4.527","","4.527","","13.57","","90","","90","","120","","240.842","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P11, P = 36.3 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015324","4.664","","4.664","","15.168","","90","","90","","120","","285.743","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P2, P = 3.48 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015390","4.99029","","4.99029","","17.0687","","90","","90","","120","","368.114","","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: March model","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015442","4.674","","4.674","","12.941","","90","","90","","120","","244.836","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 55.1 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00","" "9015460","4.9742","","4.9742","","17.4676","","90","","90","","120","","374.292","","","","","","","","","","","","Cuenca, Spain","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 702 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015481","4.9766","","4.9766","","17.284","","90","","90","","120","","370.715","","","","","","","","","","","","Cuenca, Spain","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 458 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015503","5.002","","5.002","","13.6202","","90","","90","","120","","295.122","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Hematite","- Fe2 O3 -","- Fe12 O18 -","- Fe12 O18 -","","","","Finger, L. W.; Hazen, R. M.","Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 52.4 kbar","Journal of Applied Physics","1980","51","","5362","5367","10.1063/1.327451","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015534","4.694","","4.694","","15.43","","90","","90","","120","","294.43","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P0, P = 0.02 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015555","4.367","","4.367","","12.78","","90","","90","","120","","211.071","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P19, P = 46.4 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015569","4.9521","","4.9521","","14.0024","","90","","90","","120","","297.38","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Karelianite","- O3 V2 -","- O18 V12 -","- O18 V12 -","","","","Finger, L. W.; Hazen, R. M.","Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 0.001 kbar","Journal of Applied Physics","1980","51","","5362","5367","10.1063/1.327451","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015604","4.523","","4.523","","13.4","","90","","90","","120","","237.404","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P13-1, P = 39.05 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015606","4.355","","4.355","","12.59","","90","","90","","120","","206.791","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P23, P = 51.9 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015650","4.539","","4.539","","13.8","","90","","90","","120","","246.224","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P10, P = 30.6 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015653","4.8152","","4.8152","","13.242","","90","","90","","120","","265.897","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 24.1 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00","" "9015685","4.343","","4.343","","12.497","","90","","90","","120","","204.134","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P26, P = 55.96 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015691","4.9771","","4.9771","","17.3369","","90","","90","","120","","371.925","","","","","","","","","","","","Cuenca, Spain","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 540 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015692","4.714","","4.714","","13.029","","90","","90","","120","","250.738","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 44.8 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00","" "9015761","4.9764","","4.9764","","17.3886","","90","","90","","120","","372.929","","","","","","","","","","","","Cuenca, Spain","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 620 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015778","4.9128","","4.9128","","13.4689","","90","","90","","120","","281.528","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr12 O18 -","- Cr12 O18 -","","","","Finger, L. W.; Hazen, R. M.","Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 56.8 kbar","Journal of Applied Physics","1980","51","","5362","5367","10.1063/1.327451","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015828","4.518","","4.518","","13.457","","90","","90","","120","","237.887","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P13-2, P = 39.0 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015835","4.974","","4.974","","17.261","","90","","90","","120","","369.835","","","","","","","","","","","","Cuenca, Spain","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 398 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015885","4.348","","4.348","","12.52","","90","","90","","120","","204.981","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P27-3, P = 55.0 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015962","4.364","","4.364","","12.66","","90","","90","","120","","208.802","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P22, P = 49.2 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015964","5.0346","","5.0346","","13.7473","","90","","90","","120","","301.771","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Hematite","- Fe2 O3 -","- Fe12 O18 -","- Fe12 O18 -","","","","Finger, L. W.; Hazen, R. M.","Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 0.001 kbar","Journal of Applied Physics","1980","51","","5362","5367","10.1063/1.327451","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015997","4.367","","4.367","","12.74","","90","","90","","120","","210.41","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P21, P = 47.49 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016020","4.9767","","4.9767","","17.361","","90","","90","","120","","372.382","","","","","","","","","","","","Cuenca, Spain","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 578 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016022","4.99026","","4.99026","","17.0684","","90","","90","","120","","368.103","","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Generalized spherical-harmonic model","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016082","4.65","","4.65","","15.12","","90","","90","","120","","283.132","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P3, P = 4.89 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016154","4.3474","","4.3474","","12.534","","90","","90","","120","","205.154","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P27-1, P = 55.0 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016179","4.976","","4.976","","17.227","","90","","90","","120","","369.404","","","","","","","","","","","","Cuenca, Spain","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 337 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016200","4.9757","","4.9757","","17.273","","90","","90","","120","","370.345","","","","","","","","","","","","Cuenca, Spain","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 434 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016213","4.953","","4.953","","13.5884","","90","","90","","120","","288.693","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 0 GPa, data from Ovsyannikov and Dubrovinsky (2011)","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00","" "9016327","4.953","","4.953","","13.578","","90","","90","","120","","288.472","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr12 O18 -","- Cr12 O18 -","","","","Belokoneva, E. L.; Shcherbakova, Y. K.","Electron density in synthetic eskolaite Cr2O3 with a corundum structure and its relation to antiferromagnetic properties","Russian Journal of Inorganic Chemistry","2003","48","","861","869","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016361","13.093","","13.093","","102.682","","90","","90","","120","","15244.2","","","","","","","","","","","","La Fossa Crater, Vulcano, Aeolian Islands, Italy","6","R -3 c :H","-R 3 2""c","167","","","Argesite","- Bi9 Br4.272 Cl43.728 H21 K3.627 N17.373 -","- Bi54 Br25.632 Cl262.368 H416.82 K21.762 N104.238 -","- Bi54 Br25.632 Cl262.368 H416.82 K21.762 N104.238 -","","","","Demartin, F.; Campostrini, I.; Castellano, C.; Gramaccioli, C. M.","Argesite, (NH4)7Bi3Cl16, a new mineral from La Fossa Crater, Vulcano, Aeolian Islands, Italy: A first example of the [Bi2Cl10]4- anion","American Mineralogist","2012","97","","1446","1451","10.2138/am.2012.4052","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016410","4.5","","4.5","","13.25","","90","","90","","120","","232.365","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P16, P = 44.14 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016427","4.605","","4.605","","12.854","","90","","90","","120","","236.063","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 70.4 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00","" "9016457","5.0066","","5.0066","","13.6411","","90","","90","","120","","296.119","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Hematite","- Fe2 O3 -","- Fe12 O18 -","- Fe12 O18 -","","","","Finger, L. W.; Hazen, R. M.","Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 43.9 kbar","Journal of Applied Physics","1980","51","","5362","5367","10.1063/1.327451","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016464","4.9775","","4.9775","","17.2949","","90","","90","","120","","371.083","","","","","","","","","","","","Cuenca, Spain","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 477 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016476","4.502","","4.502","","13.23","","90","","90","","120","","232.221","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P15, P = 43.9 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016491","4.607","","4.607","","14.415","","90","","90","","120","","264.961","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P5, P = 14.4 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016499","4.372","","4.372","","12.72","","90","","90","","120","","210.561","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P20-1, P = 46.92 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016535","4.9322","","4.9322","","13.991","","90","","90","","120","","294.755","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Karelianite","- O3 V2 -","- O18 V12 -","- O18 V12 -","","","","Finger, L. W.; Hazen, R. M.","Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 18.3 kbar","Journal of Applied Physics","1980","51","","5362","5367","10.1063/1.327451","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016562","4.368","","4.368","","12.75","","90","","90","","120","","210.672","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P20-2, P = 47.2 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016563","4.8273","","4.8273","","13.264","","90","","90","","120","","267.679","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 20.4 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00","" "9016599","4.575","","4.575","","14.29","","90","","90","","120","","259.027","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P7, P = 18.82 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016609","4.951","","4.951","","13.5656","","90","","90","","120","","287.975","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr12 O18 -","- Cr12 O18 -","","","","Finger, L. W.; Hazen, R. M.","Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 0.001 kbar","Journal of Applied Physics","1980","51","","5362","5367","10.1063/1.327451","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016640","4.676","","4.676","","15.31","","90","","90","","120","","289.904","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P1, P = 1.89 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016705","4.98","","4.98","","17.192","","90","","90","","120","","369.246","","","","","","","","","","","","Cuenca, Spain","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C6 Ca6 O18 -","- C6 Ca6 O18 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 297 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016706","4.9844","","4.9844","","17.0376","","90","","90","","120","","366.577","","","","","","","","","","","","Jachymov, Bohemia, Czech Republic","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Ondrus, P.; Veselovsky, F.; Gabasova, A.; Hlousek, J.; Srein, V.; Vavrnn, I.; Skala, R.; Sejkora, J.; Drabek, M.","Primary minerals of the Jachymov ore district","Journal of the Czech Geological Society","2003","48","","19","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","264423","2021-04-22","17:34:05","" "9016709","4.347","","4.347","","12.477","","90","","90","","120","","204.183","","","","","","","","","","","","Invigtut, Greenland","3","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe O3 -","- C6 Fe6 O18 -","- C6 Fe6 O18 -","","","","Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.","Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P27-4, P = 55.0 GPa","Physical Review B","2010","82","","064110","064118","10.1103/PhysRevB.82.064110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016728","4.957","","4.957","","13.5923","","90","","90","","120","","289.242","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr12 O18 -","- Cr12 O18 -","","","","Sawada, H.","Residual electron density study of chromium sesquioxide by crystal structure and scattering factor refinement Note: atomic scattering factor refinement","Materials Research Bulletin","1994","29","","239","245","10.1016/0025-5408(94)90019-1","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9017102","4.7903","","4.7903","","15.72","","90","","90","","120","","312.398","","","","","","","","100","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p0 Note: P = .0001 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017103","4.6581","","4.6581","","14.213","","90","","90","","120","","267.075","","","","","","","","22500000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p1 Note: P = 22.50 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017104","4.6554","","4.6554","","14.149","","90","","90","","120","","265.565","","","","","","","","23650000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p2 Note: P = 23.65 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017105","4.6473","","4.6473","","14.075","","90","","90","","120","","263.257","","","","","","","","25340000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p3 Note: P = 25.34 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017106","4.6416","","4.6416","","13.967","","90","","90","","120","","260.597","","","","","","","","27450000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p4 Note: P = 27.45 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017107","4.6301","","4.6301","","13.83","","90","","90","","120","","256.764","","","","","","","","30480000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p5 Note: P = 30.48 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017108","4.6278","","4.6278","","13.797","","90","","90","","120","","255.897","","","","","","","","31190000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p6 Note: P = 31.19 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017109","4.6193","","4.6193","","13.696","","90","","90","","120","","253.091","","","","","","","","33560000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p7 Note: P = 33.56 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017110","4.61","","4.61","","13.582","","90","","90","","120","","249.975","","","","","","","","36200000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p8 Note: P = 36.20 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017111","4.6024","","4.6024","","13.517","","90","","90","","120","","247.959","","","","","","","","37580000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p9 Note: P = 37.58 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017112","4.5927","","4.5927","","13.332","","90","","90","","120","","243.535","","","","","","","","40800000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p10 Note: P = 40.80 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017118","4.7799","","4.7799","","15.694","","90","","90","","120","","310.529","","","","","","","","100","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p0 Note: P = .0001 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017119","4.7788","","4.7788","","15.685","","90","","90","","120","","310.208","","","","","","","","220000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p1 Note: P = .22 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017120","4.7753","","4.7753","","15.636","","90","","90","","120","","308.786","","","","","","","","790000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p2 Note: P = .79 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017121","4.7714","","4.7714","","15.578","","90","","90","","120","","307.138","","","","","","","","1620000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p3 Note: P = 1.62 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017122","4.7654","","4.7654","","15.531","","90","","90","","120","","305.442","","","","","","","","2120000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p4 Note: P = 2.12 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017123","4.7581","","4.7581","","15.473","","90","","90","","120","","303.37","","","","","","","","2660000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p5 Note: P = 2.66 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017124","4.7426","","4.7426","","15.368","","90","","90","","120","","299.351","","","","","","","","3570000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p6 Note: P = 3.57 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017125","4.7409","","4.7409","","15.319","","90","","90","","120","","298.183","","","","","","","","4390000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p7 Note: P = 4.39 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017126","4.7415","","4.7415","","15.308","","90","","90","","120","","298.044","","","","","","","","4740000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p8 Note: P = 4.74 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017127","4.7388","","4.7388","","15.287","","90","","90","","120","","297.296","","","","","","","","5200000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p9 Note: P = 5.20 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017128","4.7332","","4.7332","","15.1926","","90","","90","","120","","294.763","","","","","","","","6330000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p10 Note: P = 6.33 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017129","4.7248","","4.7248","","15.1242","","90","","90","","120","","292.395","","","","","","","","7010000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p11 Note: P = 7.01 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017130","4.7177","","4.7177","","15.043","","90","","90","","120","","289.952","","","","","","","","8330000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p12 Note: P = 8.33 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017131","4.7146","","4.7146","","14.9903","","90","","90","","120","","288.556","","","","","","","","9170000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p13 Note: P = 9.17 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017132","4.7087","","4.7087","","14.9313","","90","","90","","120","","286.702","","","","","","","","9820000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p14 Note: P = 9.82 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017133","4.7017","","4.7017","","14.855","","90","","90","","120","","284.389","","","","","","","","10880000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p15 Note: P = 10.88 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017134","4.6955","","4.6955","","14.7918","","90","","90","","120","","282.433","","","","","","","","11900000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p16 Note: P = 11.90 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017135","4.6929","","4.6929","","14.7382","","90","","90","","120","","281.098","","","","","","","","12730000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p17 Note: P = 12.73 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017136","4.6826","","4.6826","","14.613","","90","","90","","120","","277.488","","","","","","","","14820000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p18 Note: P = 14.82 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017137","4.6775","","4.6775","","14.528","","90","","90","","120","","275.273","","","","","","","","16420000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p19 Note: P = 16.42 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017138","4.6679","","4.6679","","14.4441","","90","","90","","120","","272.561","","","","","","","","17660000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p20 Note: P = 17.66 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017139","4.6686","","4.6686","","14.401","","90","","90","","120","","271.83","","","","","","","","18690000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p21 Note: P = 18.69 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017140","4.6641","","4.6641","","14.341","","90","","90","","120","","270.175","","","","","","","","19780000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p22 Note: P = 19.78 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017141","4.6624","","4.6624","","14.33","","90","","90","","120","","269.771","","","","","","","","20240000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p23 Note: P = 20.24 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22","" "9017266","15.9615","","15.9615","","27.8568","","90","","90","","120","","6146.24","","","","298","","","","","","","","Sakavalana pegmatite, Ambatovita, Madagascar","7","R -3 c :H","-R 3 2""c","167","","","Pezzottaite","- Al2 Be2 Cs0.717 Li Na0.121 O18 Si6 -","- Al36 Be36 Cs12.912 Li18 Na2.184 O324 Si108 -","- Al36 Be36 Cs12.912 Li18 Na2.184 O324 Si108 -","","","","Gatta, D. G.; Adamo, I.; Meven, M.; Lambruschi, E.","A single-crystal neutron and X-ray diffraction of pezzottaite Note: X-ray data, T = 298 K","Physics and Chemistry of Minerals","2012","39","","829","840","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51","" "9017267","15.95","","15.95","","27.86","","90","","90","","120","","6138.09","","","","2.3","","","","","","","","Sakavalana pegmatite, Ambatovita, Madagascar","7","R -3 c :H","-R 3 2""c","167","","","Pezzottaite","- Al2 Be2.078 Cs0.96 Li0.922 Na0.143 O18 Si6 -","- Al36 Be37.404 Cs17.28 Li16.596 Na2.58 O324 Si108 -","- Al36 Be37.404 Cs17.28 Li16.596 Na2.58 O324 Si108 -","","","","Gatta, D. G.; Adamo, I.; Meven, M.; Lambruschi, E.","A single-crystal neutron and X-ray diffraction of pezzottaite Note: Neutron data, T = 2.3 K","Physics and Chemistry of Minerals","2012","39","","829","840","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51","" "9017357","4.6526","","4.6526","","15.0257","","90","","90","","120","","281.68","","","","","","","","","","","","Tsumeb, Namibia","5","R -3 c :H","-R 3 2""c","167","","","Smithsonite","- C Fe0.02 Mg0.01 O3 Zn0.97 -","- C6 Fe0.12 Mg0.06 O18 Zn5.82 -","- C6 Fe0.12 Mg0.06 O18 Zn5.82 -","","","","Effenberger, H.; Mereiter, K.; Zemann, J.","Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates","Zeitschrift fur Kristallographie","1981","156","","233","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:57","" "9017358","4.7682","","4.7682","","15.6354","","90","","90","","120","","307.857","","","","","","","","","","","","Alicante, Spain","5","R -3 c :H","-R 3 2""c","167","","","Rhodochrosite","- C Fe0.06 Mg0.01 Mn0.93 O3 -","- C6 Fe0.36 Mg0.06 Mn5.58 O18 -","- C6 Fe0.36 Mg0.06 Mn5.58 O18 -","","","","Effenberger, H.; Mereiter, K.; Zemann, J.","Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates","Zeitschrift fur Kristallographie","1981","156","","233","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:57","" "9017359","4.9896","","4.9896","","17.061","","90","","90","","120","","367.846","","","","","","","","","","","","Iceland","4","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca0.99 Mg0.01 O3 -","- C6 Ca5.94 Mg0.06 O18 -","- C6 Ca5.94 Mg0.06 O18 -","","","","Effenberger, H.; Mereiter, K.; Zemann, J.","Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates","Zeitschrift fur Kristallographie","1981","156","","233","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:57","" "9017360","4.6328","","4.6328","","15.0129","","90","","90","","120","","279.05","","","","","","","","","","","","Oberdorf, Styria, Austria","4","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Fe0.01 Mg0.99 O3 -","- C6 Fe0.06 Mg5.94 O18 -","- C6 Fe0.06 Mg5.94 O18 -","","","","Effenberger, H.; Mereiter, K.; Zemann, J.","Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates","Zeitschrift fur Kristallographie","1981","156","","233","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:57","" "9017361","4.6916","","4.6916","","15.3796","","90","","90","","120","","293.169","","","","","","","","","","","","Ivigtut, Greenland","4","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe0.95 Mn0.05 O3 -","- C6 Fe5.7 Mn0.3 O18 -","- C6 Fe5.7 Mn0.3 O18 -","","","","Effenberger, H.; Mereiter, K.; Zemann, J.","Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates","Zeitschrift fur Kristallographie","1981","156","","233","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:57","" "9017512","13.807","","13.807","","18.354","","90","","90","","120","","3030.12","","","","","","","","","","","","Synthetic","4","R -3 c :H","-R 3 2""c","167","","","Yurmarinite","- As6 Fe4 Na6.88 O24 -","- As36 Fe24 Na41.28 O144 -","- As36 Fe24 Na41.28 O144 -","","","","Masquelier, C.; d'Yvoire F; Collin, G.","Crystal structure of Na7Fe4(AsO4)6 and alpha-Na3Al2(AsO4)3, two sodium ion conductors structurally related to II-Na3Fe2(AsO4)3","Journal of Solid State Chemistry","1995","118","","33","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:03","" "9017642","4.9817","","4.9817","","12.387","","90","","90","","120","","266.227","","","","","","","","","","","","Eldfell volcano, Heimaey, Iceland","4","R -3 c :H","-R 3 2""c","167","","","Oskarssonite","- Al F2.52 H0.48 O0.48 -","- Al F2.52 H0.48 O0.48 -","- Al6 F15.12 H2.88 O2.88 -","6","0.166667","","Jacobsen, M. J.; Balic-Zunic T; Mitolo, D.; Katerinopoulou, A.; Garavelli, A.; Jakobsson, S. P.","Oskarssonite, AlF3, a new fumarolic mineral from Eldfell volcano, Heimaey, Iceland","Mineralogical Magazine","2014","78","","215","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53","" "9017674","13.7444","","13.7444","","18.3077","","90","","90","","120","","2995.13","","","","","","","","","","","","Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia","14","R -3 c :H","-R 3 2""c","167","","","Yurmarinite","- Al0.23 As5.94 Ca0.28 Cu0.48 Fe2.48 K0.22 Mg0.7 Mn0.01 Na6.55 O24 P0.02 Ti0.01 V0.01 Zn0.14 -","- Al1.38 As35.64 Ca1.68 Cu2.88 Fe14.88 K1.3188 Mg4.2 Mn0.06 Na39.2994 O144 P0.1188 Ti0.06 V0.0612 Zn0.84 -","- Al1.38 As35.64 Ca1.68 Cu2.88 Fe14.88 K1.3188 Mg4.2 Mn0.06 Na39.2994 O144 P0.1188 Ti0.06 V0.0612 Zn0.84 -","","","","Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Lykova, I. S.; Vigasina, M. F.; Sidorov, E. G.; Pushcharovsky, D. Y.","New arsenate minerals from the Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia. I. Yurmarinite, Na7(Fe3+,Mg,Cu)4(AsO4)6","Mineralogical Magazine","2014","78","","905","917","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:32",""